/** * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info. * * Code-generated 'CifCore' schema file. Dictionary versions: CifCore 3.3.0. * * @author molstar/ciftools package */ import { Database, Column } from '../../../../mol-data/db.js'; import Schema = Column.Schema; export declare const CifCore_Schema: { /** * The category of data items used to describe the parameters of * the crystal unit cell. */ cell: { /** * The angle between the bounding cell axes. */ angle_alpha: Schema.Float; /** * The angle between the bounding cell axes. */ angle_beta: Schema.Float; /** * The angle between the bounding cell axes. */ angle_gamma: Schema.Float; /** * The number of the formula units in the unit cell as specified * by _chemical_formula.structural, _chemical_formula.moiety or * _chemical_formula.sum. This is normally an integer value, but * in exceptional circumstances (Brock, 2025) may be reported as * non-integral. * * Reference: Brock, C. P. (2025). Acta Cryst. A81, 405-408. */ formula_units_z: Schema.Float; /** * The length of each cell axis. */ length_a: Schema.Float; /** * The length of each cell axis. */ length_b: Schema.Float; /** * The length of each cell axis. */ length_c: Schema.Float; /** * Volume of the crystal unit cell. */ volume: Schema.Float; }; /** * The category of data items which describe the composition and * chemical properties of the compound under study. The formula data * items must be consistent with the density, unit-cell and Z values. */ chemical: { /** * The temperature at which a crystalline solid changes to a liquid. */ melting_point: Schema.Float; /** * Trivial name by which the compound is commonly known. */ name_common: Schema.Str; /** * IUPAC or Chemical Abstracts full name of compound. */ name_systematic: Schema.Str; }; /** * The category of data items which specify the composition and chemical * properties of the compound. The formula data items must agree * with those that specify the density, unit-cell and Z values. * * The following rules apply to the construction of the data items * _chemical_formula.analytical, *.structural and *.sum. For the * data item *.moiety the formula construction is broken up into * residues or moieties, i.e. groups of atoms that form a molecular * unit or molecular ion. The rules given below apply within each * moiety, but different requirements apply to the way that moieties * are connected (see _chemical_formula.moiety). * * 1. Only recognized element symbols may be used. * * 2. Each element symbol is followed by a 'count' number. A count of * '1' may be omitted. * * 3. A space or parenthesis must separate each cluster of (element * symbol + count). * * 4. Where a group of elements is enclosed in parentheses, the * multiplier for the group must follow the closing parentheses. * That is, all element and group multipliers are assumed to be * printed as subscripted numbers. [An exception to this rule * exists for *.moiety formulae where pre- and post-multipliers * are permitted for molecular units]. * * 5. Unless the elements are ordered in a manner that corresponds to * their chemical structure, as in _chemical_formula.structural, * the order of the elements within any group or moiety * depends on whether or not carbon is present. If carbon is * present, the order should be: C, then H, then the other * elements in alphabetical order of their symbol. If carbon is * not present, the elements are listed purely in alphabetical order * of their symbol. This is the 'Hill' system used by Chemical * Abstracts. This ordering is used in _chemical_formula.moiety * and _chemical_formula.sum. * * _chemical_formula.IUPAC '[Mo (C O)4 (C18 H33 P)2]' * _chemical_formula.moiety 'C40 H66 Mo O4 P2' * _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo' * _chemical_formula.sum 'C40 H66 Mo O4 P2' * _chemical_formula.weight 768.81 */ chemical_formula: { /** * Formula expressed in conformance with IUPAC rules for inorganic * and metal-organic compounds where these conflict with the rules * for any other chemical_formula entries. Typically used for * formatting a formula in accordance with journal rules. This * should appear in the data block in addition to the most * appropriate of the other chemical_formula data names. * Ref: IUPAC (1990). Nomenclature of Inorganic Chemistry. * Oxford: Blackwell Scientific Publications. */ iupac: Schema.Str; /** * Formula with each discrete bonded residue or ion shown as a * separate moiety. See above CHEMICAL_FORMULA for rules * for writing chemical formulae. In addition to the general * formulae requirements, the following rules apply: * 1. Moieties are separated by commas ','. * 2. The order of elements within a moiety follows general rule * 5 in CHEMICAL_FORMULA. * 3. Parentheses are not used within moieties but may surround * a moiety. Parentheses may not be nested. * 4. Charges should be placed at the end of the moiety. The * charge '+' or '-' may be preceded by a numerical multiplier * and should be separated from the last (element symbol + * count) by a space. Pre- or post-multipliers may be used for * individual moieties. */ moiety: Schema.Str; /** * Chemical formulae in which all discrete bonded residues and ions are * summed over the constituent elements, following the ordering given * in rule 5 of the category description. Parentheses normally not used. */ sum: Schema.Str; /** * Mass corresponding to the formulae _chemical_formula.structural, * *.IUPAC, *.moiety or *.sum and, together with the Z value and cell * parameters yield the density given as _exptl_crystal.density_diffrn. */ weight: Schema.Float; }; /** * The category of data items used to specify space group * information about the crystal used in the diffraction measurements. * * Space-group types are identified by their number as listed in * International Tables for Crystallography Volume A, or by their * Schoenflies symbol. Specific settings of the space groups can * be identified by their Hall symbol, by specifying their * symmetry operations or generators, or by giving the * transformation that relates the specific setting to the * reference setting based on International Tables Volume A and * stored in this dictionary. * * The commonly used Hermann-Mauguin symbol determines the * space-group type uniquely, but several different Hermann-Mauguin * symbols may refer to the same space-group type. A * Hermann-Mauguin symbol contains information on the choice of * the basis, but not on the choice of origin. * * Ref: International Tables for Crystallography (2016). Volume A, * Space-group symmetry, edited by M. I. Aroyo, 6th ed. * Chichester: John Wiley & Sons. */ space_group: { /** * The name of the system of geometric crystal classes of space * groups (crystal system) to which the space group belongs. * Note that rhombohedral space groups belong to the * trigonal system. */ crystal_system: Schema.Str; /** * The number as assigned in International Tables for Crystallography * Vol. A, specifying the proper affine class (i.e. the orientation * preserving affine class) of space groups (crystallographic space * group type) to which the space group belongs. This number defines * the space group type but not the coordinate system expressed. */ it_number: Schema.Int; /** * _space_group.name_H-M_alt allows for any Hermann-Mauguin symbol * to be given. The way in which this item is used is determined * by the user and in general is not intended to be interpreted by * computer. It may, for example, be used to give one of the * extended Hermann-Mauguin symbols given in Table 4.3.1 of * International Tables for Crystallography Vol. A (1995) or * a Hermann-Mauguin symbol for a conventional or unconventional * setting. * Each component of the space group name is separated by a * space or underscore. The use of space is strongly * recommended. The underscore is only retained because it * was used in earlier archived files. It should not be * used in new CIFs. Subscripts should appear without special * symbols. Bars should be given as negative signs before the * numbers to which they apply. * The commonly used Hermann-Mauguin symbol determines the space * group type uniquely, but a given space group type may be * described by more than one Hermann-Mauguin symbol. The space * group type is best described using _space_group.IT_number. * The Hermann-Mauguin symbol may contain information on the * choice of basis though not on the choice of origin. To * define the setting uniquely use _space_group.name_Hall or * list the symmetry operations. */ 'name_h-m_alt': Schema.Str; /** * The full international Hermann-Mauguin space-group symbol as * defined in Section 2.1.3.3 and given as the second item of the * second line of each of the space-group tables of Chapter 2.3 of * International Tables for Crystallography Volume A (2016). * * Each component of the space-group name is separated by a * space or an underscore character. The use of a space is * strongly recommended. The underscore is only retained * because it was used in old CIFs. It should not be used in * new CIFs. * * Subscripts should appear without special symbols. Bars should * be given as negative signs before the numbers to which they * apply. The commonly used Hermann-Mauguin symbol determines the * space-group type uniquely, but a given space-group type may * be described by more than one Hermann-Mauguin symbol. The * space-group type is best described using * _space_group.IT_number or _space_group.name_Schoenflies. The * full international Hermann-Mauguin symbol contains information * about the choice of basis for monoclinic and orthorhombic * space groups, but does not give information about the choice * of origin. To define the setting uniquely use * _space_group.name_Hall, or list the symmetry operations * or generators. * * Ref: International Tables for Crystallography (2016). Volume A, * Space-group symmetry, edited by M. I. Aroyo, 6th ed. * Chichester: John Wiley & Sons. */ 'name_h-m_full': Schema.Str; /** * Space group symbol defined by Hall. Each component of the * space group name is separated by a space or an underscore. * The use of space is strongly recommended because it specifies * the coordinate system. The underscore in the name is only * retained because it was used in earlier archived files. It * should not be used in new CIFs. * Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 * [See also International Tables for Crystallography, * Vol. B (1993) 1.4 Appendix B] */ name_hall: Schema.Str; }; /** * The category of data items used to describe symmetry equivalent sites * in the crystal unit cell. */ space_group_symop: { /** * A parsable string giving one of the symmetry operations of the * space group in algebraic form. If W is a matrix representation * of the rotational part of the symmetry operation defined by the * positions and signs of x, y and z, and w is a column of * translations defined by fractions, an equivalent position * X' is generated from a given position X by the equation * * X' = WX + w. * * (Note: X is used to represent bold_italics_x in International * Tables for Crystallography Vol. A, Part 5.) * * When a list of symmetry operations is given, it must contain * a complete set of coordinate representatives which generates * all the operations of the space group by the addition of * all primitive translations of the space group. Such * representatives are to be found as the coordinates of * the general-equivalent position in International Tables for * Crystallography Vol. A (2002), to which it is necessary to * add any centring translations shown above the * general-equivalent position. * * That is to say, it is necessary to list explicitly all the * symmetry operations required to generate all the atoms in * the unit cell defined by the setting used. */ operation_xyz: Schema.Str; }; /** * The category of data items used to specify the geometry bonds in the * structural model as derived from the atomic sites. */ geom_bond: { /** * This label is a unique identifier for a particular site in the * asymmetric unit of the crystal unit cell. */ atom_site_label_1: Schema.Str; /** * This label is a unique identifier for a particular site in the * asymmetric unit of the crystal unit cell. */ atom_site_label_2: Schema.Str; /** * Intramolecular bond distance between the sites identified * by _geom_bond.id */ distance: Schema.Float; /** * This code signals whether the angle is referred to in a * publication or should be placed in a table of significant angles. */ publ_flag: Schema.Str; /** * Data item specifying the symmetry operation codes applied to the atom * sites involved in a specific geometric configuration or other correlated * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are * combined to form the code 'n pqr' or n_pqr. * * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the * coordinates stored in _atom_site.fract_xyz. It must match * a number given in _space_group_symop.id (or one of its * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate * the related atom position. These translations (x,y,z) are related * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z */ site_symmetry_1: Schema.Str; /** * Data item specifying the symmetry operation codes applied to the atom * sites involved in a specific geometric configuration or other correlated * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are * combined to form the code 'n pqr' or n_pqr. * * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the * coordinates stored in _atom_site.fract_xyz. It must match * a number given in _space_group_symop.id (or one of its * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate * the related atom position. These translations (x,y,z) are related * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z */ site_symmetry_2: Schema.Str; /** * Valence assigned to the bond between the sites identified by * _geom_bond.id calculated according to the bond-valence model * (Brown, 2002) from the bond distance. * * Ref: Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry: * the Bond-Valence Model, eq. (3.1). Oxford: Oxford University Press. */ valence: Schema.Float; }; /** * The category of data items used to record details about the * creation and subsequent updating of the data block. */ audit: { /** * The digital object identifier (DOI) registered to identify * the data set publication represented by the current * data block. This can be used as a unique identifier for * the data block so long as the code used is a valid DOI * (i.e. begins with a valid publisher prefix assigned by a * Registration Agency and a suffix guaranteed to be unique * by the publisher) and has had its metadata deposited * with a DOI Registration Agency. * * A DOI is a unique character string identifying any * object of intellectual property. It provides a * persistent identifier for an object on a digital network * and permits the association of related current data in a * structured extensible way. A DOI is an implementation * of the Internet concepts of Uniform Resource Name and * Universal Resource Locator managed according to the * specifications of the International DOI Foundation * (see https://www.doi.org/). */ block_doi: Schema.Str; }; /** * The category of data items recording database deposition. These data items * are assigned by database managers and should only appear in a CIF if they * originate from that source. */ database_code: { /** * Code assigned by the Crystallography Open Database (COD). */ cod: Schema.Str; /** * Code assigned by the Cambridge Structural Database. */ csd: Schema.Str; /** * Deposition numbers assigned by the Cambridge Crystallographic * Data Centre (CCDC) to files containing structural information * archived by the CCDC. */ depnum_ccdc_archive: Schema.Str; /** * Deposition numbers assigned by the Fachinformationszentrum * Karlsruhe (FIZ) to files containing structural information * archived by the Cambridge Crystallographic Data Centre (CCDC). */ depnum_ccdc_fiz: Schema.Str; /** * Code assigned by the Inorganic Crystal Structure Database. */ icsd: Schema.Str; /** * Code assigned in the Metals Data File. */ mdf: Schema.Str; /** * Code assigned by the NBS (NIST) Crystal Data Database. */ nbs: Schema.Str; }; /** * The category of data items used to describe atom site information * used in crystallographic structure studies. */ atom_site: { /** * Code for type of atomic displacement parameters used for the site. */ adp_type: Schema.Str; /** * A standard code to signal if the site coordinates have been * determined from the intensities or calculated from the geometry * of surrounding sites, or have been assigned dummy coordinates. */ calc_flag: Schema.Str; /** * A code which identifies a cluster of atoms that show long range disorder * but are locally ordered. Within each such cluster of atoms, * _atom_site.disorder_group is used to identify the sites that are * simultaneously occupied. This field is only needed if there is more than * one cluster of disordered atoms showing independent local order. */ disorder_assembly: Schema.Str; /** * A code that identifies a group of disordered atom sites that are locally * simultaneously occupied. Atoms that are positionally disordered over two or * more sites (e.g. the H atoms of a methyl group that exists in two * orientations) should be assigned to two or more groups. Similarly, atoms * that describe a specific alternative composition of a compositionally * disordered site should be assigned to a distinct disorder group (e.g. a site * that is partially occupied by Mg and Mn atoms should be described by * assigning the Mg atom to one group and the Mn atom to another group). Sites * belonging to the same group are simultaneously occupied, but those belonging * to different groups are not. A minus prefix (e.g. "-1") is used to indicate * sites disordered about a special position. */ disorder_group: Schema.Str; /** * Atom site coordinates as fractions of the cell length values. */ fract_x: Schema.Float; /** * Atom site coordinates as fractions of the cell length values. */ fract_y: Schema.Float; /** * Atom site coordinates as fractions of the cell length values. */ fract_z: Schema.Float; /** * This label is a unique identifier for a particular site in the * asymmetric unit of the crystal unit cell. It is made up of * components, _atom_site.label_component_0 to *_6, which may be * specified as separate data items. Component 0 usually matches one * of the specified _atom_type.symbol codes. This is not mandatory * if an _atom_site.type_symbol item is included in the atom site * list. The _atom_site.type_symbol always takes precedence over * an _atom_site.label in the identification of the atom type. The * label components 1 to 6 are optional, and normally only * components 0 and 1 are used. Note that components 0 and 1 are * concatenated, while all other components, if specified, are * separated by an underline character. Underline separators are * only used if higher-order components exist. If an intermediate * component is not used it may be omitted provided the underline * separators are inserted. For example the label 'C233__ggg' is * acceptable and represents the components C, 233, '', and ggg. * Each label may have a different number of components. */ label: Schema.Str; /** * The fraction of the atom type present at this site. * The sum of the occupancies of all the atom types at this site * may not significantly exceed 1.0 unless it is a dummy site. The * value must lie in the 99.97% Gaussian confidence interval * -3u =< x =< 1 + 3u. The _enumeration.range of 0.0:1.0 is thus * correctly interpreted as meaning (0.0 - 3u) =< x =< (1.0 + 3u). */ occupancy: Schema.Float; /** * A concatenated series of single-letter codes which indicate the * refinement restraints or constraints applied to this site. This * item should not be used. It has been replaced by * _atom_site.refinement_flags_posn, _ADP and _occupancy. It is * retained in this dictionary only to provide compatibility with * legacy CIFs. */ refinement_flags: Schema.Str; /** * The number of different sites that are generated by the * application of the space-group symmetry to the coordinates * given for this site. It is equal to the multiplicity given * for this Wyckoff site in International Tables for Cryst. * Vol. A (2002). It is equal to the multiplicity of the general * position divided by the order of the site symmetry given in * _atom_site.site_symmetry_order. * * The _atom_site_symmetry_multiplicity form of this data name is * deprecated because of historical inconsistencies in practice among * structure refinement software packages and should not be used. */ site_symmetry_multiplicity: Schema.Int; /** * A code to identify the atom specie(s) occupying this site. * This code must match a corresponding _atom_type.symbol. The * specification of this code is optional if component_0 of the * _atom_site.label is used for this purpose. See _atom_type.symbol. */ type_symbol: Schema.Str; /** * Isotropic atomic displacement parameter, or equivalent isotropic * atomic displacement parameter, U(equiv), in angstroms squared, * calculated from anisotropic atomic displacement parameters. * * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~.a~j~)] * * a = the real-space cell vectors * a* = the reciprocal-space cell lengths * Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776. */ u_iso_or_equiv: Schema.Float; }; /** * The category of data items used to describe the anisotropic atomic * displacement parameters of the atomic sites in a crystal structure. */ atom_site_aniso: { /** * Anisotropic atomic displacement parameters are usually looped in * a separate list. If this is the case, this code must match the * _atom_site.label of the associated atom in the atom coordinate * list and conform with the same rules described in _atom_site.label. */ label: Schema.Str; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_11: Schema.Float; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u: Schema.Tensor; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_12: Schema.Float; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_13: Schema.Float; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_22: Schema.Float; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_23: Schema.Float; /** * These are the standard anisotropic atomic displacement components in * angstroms squared which appear in the structure-factor term * * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. * * The IUCr Commission on Nomenclature recommends the use of U for reporting * atomic displacement parameters. * * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). * * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. */ u_33: Schema.Float; }; /** * The category of data items used to describe atomic type information * used in crystallographic structure studies. */ atom_type: { /** * A description of the atom(s) designated by this atom type. In * most cases this will be the element name and oxidation state of * a single atom species. For disordered or nonstoichiometric * structures it will describe a combination of atom species. */ description: Schema.Str; /** * The identity of the atom specie(s) representing this atom type. * Normally this code is the element symbol followed by the charge * if there is one. The symbol may be composed of any character except * an underline or a blank, with the proviso that digits designate an * oxidation state and must be followed by a + or - character. */ symbol: Schema.Str; }; /** * The category of data items used to describe atomic scattering * information used in crystallographic structure studies. */ atom_type_scat: { /** * The imaginary component of the anomalous dispersion scattering factors * for this atom type and radiation by _diffrn_radiation_wavelength.value */ dispersion_imag: Schema.Float; /** * The real component of the anomalous dispersion scattering factors * for this atom type and radiation by _diffrn_radiation_wavelength.value */ dispersion_real: Schema.Float; /** * Reference to source of scattering factors used for this atom type. */ source: Schema.Str; }; }; export declare const CifCore_Aliases: { 'cell.formula_units_z': string[]; 'chemical_formula.iupac': string[]; 'space_group.it_number': string[]; 'space_group.name_h-m_alt': string[]; 'space_group.name_h-m_full': string[]; 'space_group.name_hall': string[]; 'space_group_symop.operation_xyz': string[]; 'geom_bond.atom_site_label_1': string[]; 'geom_bond.atom_site_label_2': string[]; 'geom_bond.distance': string[]; 'audit.block_doi': string[]; 'database_code.cod': string[]; 'database_code.csd': string[]; 'database_code.depnum_ccdc_archive': string[]; 'database_code.depnum_ccdc_fiz': string[]; 'database_code.icsd': string[]; 'database_code.mdf': string[]; 'database_code.nbs': string[]; 'atom_site.adp_type': string[]; 'atom_site.label': string[]; 'atom_site.site_symmetry_multiplicity': string[]; 'atom_site.u_iso_or_equiv': string[]; 'atom_site_aniso.label': string[]; 'atom_site_aniso.u_11': string[]; 'atom_site_aniso.u_12': string[]; 'atom_site_aniso.u_13': string[]; 'atom_site_aniso.u_22': string[]; 'atom_site_aniso.u_23': string[]; 'atom_site_aniso.u_33': string[]; }; export type CifCore_Schema = typeof CifCore_Schema; export interface CifCore_Database extends Database { }