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- Csymmetry_equiv.html
- Index Core dictionary (coreCIF) version 2.4.5 Category SYMMETRY_EQUIV Name: '_symmetry_equiv_[]' Definition: Data items in the SYMMETRY_EQUIV category list the symmetry-equivalent positions for the space group. Examples: Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. loop_ _symmetry_equiv ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Csymmetry_equiv.html
- Isymmetry_space_group_name_Hall.html
- Index Core dictionary (coreCIF) version 2.4.5 _symmetry_space_group_name_Hall Name: '_symmetry_space_group_name_Hall' This definition has been superseded and is retained here only for archival purposes. Use instead '_space_group_name_Hall' Definition: Space-group symbol as described by Hall. This symbol gives the space-group setting ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Isymmetry_space_group_name_Hall.html
- Isymmetry_space_group_name_H-M.html
- Index Core dictionary (coreCIF) version 2.4.5 _symmetry_space_group_name_H-M Name: '_symmetry_space_group_name_H-M' This definition has been superseded and is retained here only for archival purposes. Use instead '_space_group_name_H-M_alt' Definition: Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Isymmetry_space_group_name_H-M.html
- Isymmetry_Int_Tables_number.html
- Index Core dictionary (coreCIF) version 2.4.5 _symmetry_Int_Tables_number Name: '_symmetry_Int_Tables_number' This definition has been superseded and is retained here only for archival purposes. Use instead '_space_group_IT_number' Definition: Space-group number from International Tables for Crystallography Vol. A (2002). The permitted range is ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Isymmetry_Int_Tables_number.html
- Isymmetry_cell_setting.html
- Index Core dictionary (coreCIF) version 2.4.5 _symmetry_cell_setting Name: '_symmetry_cell_setting' This definition has been superseded and is retained here only for archival purposes. Use instead '_space_group_crystal_system' Definition: The cell settings for this space-group symmetry. Related item: The data value must be one of the ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Isymmetry_cell_setting.html
- Csymmetry.html
- Index Core dictionary (coreCIF) version 2.4.5 Category SYMMETRY Name: '_symmetry_[]' Definition: Data items in the SYMMETRY category record details about the space-group symmetry. Example: Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. _symmetry_cell_setting orthorhombic _symmetry_space_group_name ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Csymmetry.html
- Ispace_group_symop_sg_id.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_symop_sg_id Name: '_space_group_symop_sg_id' Definition: This must match a particular value of _space_group_id, allowing the symmetry operation to be identified with a particular space group. May appear in list containing _space_group_symop_idMust match data ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_sg_id.html
- Ispace_group_symop_operation_xyz.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_symop_operation_xyz Name: '_space_group_symop_operation_xyz' Definition: 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 ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html
- Ispace_group_symop_id.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_symop_id Name: '_space_group_symop_id' Definition: An arbitrary identifier that uniquely labels each symmetry operation in the list. In order for the defaults to work correctly, the identity operation should have _space_group_symop_id or _symmetry_equiv_pos_site_id ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_symop_id.html
- Ispace_group_name_Hall.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_name_Hall Name: '_space_group_name_Hall' Definition: Space-group symbol defined by Hall. Each component of the space-group name is separated by a space or an underscore. The use of a space is strongly recommended. The underscore is only retained because ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_name_Hall.html
- Ispace_group_name_H-M_alt.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_name_H-M_alt Name: '_space_group_name_H-M_alt' Definition: _space_group_name_H-M_alt allows any Hermann-Mauguin symbol to be given. The way in which this item is used is determined by the user and in general is ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_name_H-M_alt.html
- Ispace_group_IT_number.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_IT_number Name: '_space_group_IT_number' Definition: 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. ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_IT_number.html
- Ispace_group_id.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_id Name: '_space_group_id' Definition: This is an identifier needed if _space_group_ items are looped. Appears in list as essential element of loop structure May match subsidiary data name(s) _space_group_symop_sg_id Type: char Category: space_group...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_id.html
- Ispace_group_crystal_system.html
- Index Core dictionary (coreCIF) version 2.4.5 _space_group_crystal_system Name: '_space_group_crystal_system' Definition: 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. May appear in list containing ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_crystal_system.html
- Ireflns_shell_Rmerge_I_obs.html
- Index Core dictionary (coreCIF) version 2.4.5 _reflns_shell_Rmerge_I_obs Name: '_reflns_shell_Rmerge_I_obs' This definition has been superseded and is retained here only for archival purposes. Use instead '_reflns_shell_Rmerge_I_gt' Definition: The value of Rmerge(I) for reflections classified as 'observed' (see _reflns_observed ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Ireflns_shell_Rmerge_I_obs.html
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