Core CIF Dictionary Definitions

Definitions are arranged alphabetically by category and within category.

Revision History
atom_site_[]
- atom_site_adp_type
- atom_site_aniso_B_
- atom_site_aniso_label
- atom_site_aniso_ratio
- atom_site_aniso_type_symbol
- atom_site_aniso_U_
- atom_site_attached_hydrogens
- atom_site_B_equiv_geom_mean
- atom_site_B_iso_or_equiv
- atom_site_calc_attached_atom
- atom_site_calc_flag
- atom_site_Cartn_
- atom_site_chemical_conn_number
- atom_site_constraints
- atom_site_description
- atom_site_disorder_assembly
- atom_site_disorder_group
- atom_site_fract_
- atom_site_label
- atom_site_label_component_
- atom_site_occupancy
- atom_site_refinement_flags
- atom_site_refinement_flags_adp
- atom_site_refinement_flags_occupancy
- atom_site_refinement_flags_posn
- atom_site_restraints
- atom_site_symmetry_multiplicity
- atom_site_thermal_displace_type
- atom_site_type_symbol
- atom_site_U_equiv_geom_mean
- atom_site_U_iso_or_equiv
- atom_site_Wyckoff_symbol
atom_sites_[]
- atom_sites_Cartn_tran_matrix_
- atom_sites_Cartn_transform_axes
- atom_sites_Cartn_tran_vector_
- atom_sites_fract_tran_matrix_
- atom_sites_fract_tran_vector_
- atom_sites_solution_
- atom_sites_special_details
atom_type_[]
- atom_type_analytical_mass_%
- atom_type_description
- atom_type_number_in_cell
- atom_type_oxidation_number
- atom_type_radius_
- atom_type_scat_Cromer_Mann_
- atom_type_scat_dispersion_
- atom_type_scat_dispersion_source
- atom_type_scat_length_neutron
- atom_type_scat_source
- atom_type_scat_versus_stol_list
- atom_type_symbol
audit_[]
- audit_block_code
- audit_creation_date
- audit_creation_method
- audit_update_record
audit_author_[]
- audit_author_address
- audit_author_name
audit_conform_[]
- audit_conform_dict_location
- audit_conform_dict_name
- audit_conform_dict_version
audit_contact_author_[]
- audit_contact_author_address
- audit_contact_author_email
- audit_contact_author_fax
- audit_contact_author_name
- audit_contact_author_phone
audit_link_[]
- audit_link_block_code
- audit_link_block_description
cell_[]
- cell_angle_
- cell_formula_units_Z
- cell_length_
- cell_measurement_pressure
- cell_measurement_radiation
- cell_measurement_reflns_used
- cell_measurement_temperature
- cell_measurement_theta_
- cell_measurement_wavelength
- cell_reciprocal_angle_
- cell_reciprocal_length_
- cell_special_details
- cell_volume
cell_measurement_refln_[]
- cell_measurement_refln_index_
- cell_measurement_refln_theta
chemical_[]
- chemical_absolute_configuration
- chemical_compound_source
- chemical_melting_point
- chemical_melting_point_
- chemical_name_common
- chemical_name_mineral
- chemical_name_structure_type
- chemical_name_systematic
- chemical_optical_rotation
- _chemical_properties_biological
- chemical_properties_physical
- chemical_temperature_decomposition
- chemical_temperature_decomposition_*
- chemical_temperature_sublimation
- chemical_temperature_sublimation_*
chemical_conn_atom_[]
- chemical_conn_atom_charge
- chemical_conn_atom_display_
- chemical_conn_atom_NCA
- chemical_conn_atom_NH
- chemical_conn_atom_number
- chemical_conn_atom_type_symbol
chemical_conn_bond_[]
- chemical_conn_bond_atom_
- chemical_conn_bond_type
chemical_formula_[]
- chemical_formula_analytical
- chemical_formula_iupac
- chemical_formula_moiety
- chemical_formula_structural
- chemical_formula_sum
- chemical_formula_weight
- chemical_formula_weight_meas
citation_[]
- citation_abstract
- citation_abstract_id_CAS
- citation_book_id_ISBN
- citation_book_publisher
- citation_book_publisher_city
- citation_book_title
- citation_coordinate_linkage
- citation_country
- citation_database_id_CSD
- citation_database_id_Medline
- citation_id
- citation_journal_abbrev
- citation_journal_id_ASTM
- citation_journal_id_CSD
- citation_journal_id_ISSN
- citation_journal_full
- citation_journal_issue
- citation_journal_volume
- citation_language
- citation_page_
- citation_special_details
- citation_title
- citation_year
citation_author_[]
- citation_author_citation_id
- citation_author_name
- citation_author_ordinal
citation_editor_[]
- citation_editor_citation_id
- citation_editor_name
- citation_editor_ordinal
computing_[]
- computing_
database_[]
- database_code_
- database_code_depnum_ccdc_fiz
- database_code_depnum_ccdc_journal
- database_code_depnum_ccdc_archive
- database_CSD_history
- database_journal_
diffrn_[]
- diffrn_ambient_environment
- diffrn_ambient_pressure
- diffrn_ambient_pressure_
- diffrn_ambient_temperature
- diffrn_ambient_temperature_
- diffrn_crystal_treatment
- diffrn_measured_fraction_theta_full
- diffrn_measured_fraction_theta_max
- diffrn_special_details
- diffrn_symmetry_description
diffrn_attenuator_[]
- diffrn_attenuator_code
- diffrn_attenuator_material
- diffrn_attenuator_scale
diffrn_detector_[]
- diffrn_detector
- diffrn_detector_area_resol_mean
- diffrn_detector_details
- diffrn_detector_dtime
- diffrn_detector_type
- diffrn_radiation_detector
- diffrn_radiation_detector_dtime
diffrn_measurement_[]
- diffrn_measurement_details
- diffrn_measurement_device
- diffrn_measurement_device_details
- diffrn_measurement_device_type
- diffrn_measurement_method
- diffrn_measurement_specimen_support
diffrn_orient_matrix_[]
- diffrn_orient_matrix_type
- diffrn_orient_matrix_UB_
diffrn_orient_refln_[]
- diffrn_orient_refln_angle_
- diffrn_orient_refln_index_
diffrn_radiation_[]
- diffrn_radiation_collimation
- diffrn_radiation_filter_edge
- diffrn_radiation_inhomogeneity
- diffrn_radiation_monochromator
- diffrn_radiation_polarisn_norm
- diffrn_radiation_polarisn_ratio
- diffrn_radiation_probe
- diffrn_radiation_type
- diffrn_radiation_xray_symbol
diffrn_radiation_wavelength_[]
- diffrn_radiation_wavelength
- diffrn_radiation_wavelength_id
- diffrn_radiation_wavelength_wt
diffrn_refln_[]
- diffrn_refln_angle_
- diffrn_refln_attenuator_code
- diffrn_refln_class_code
- diffrn_refln_counts_
- diffrn_refln_crystal_id
- diffrn_refln_detect_slit_
- diffrn_refln_elapsed_time
- diffrn_refln_index_
- diffrn_refln_intensity_net
- diffrn_refln_intensity_sigma
- diffrn_refln_intensity_u
- diffrn_refln_scale_group_code
- diffrn_refln_scan_mode
- diffrn_refln_scan_mode_backgd
- diffrn_refln_scan_rate
- diffrn_refln_scan_time_backgd
- diffrn_refln_scan_width
- diffrn_refln_sint/lambda
- diffrn_refln_standard_code
- diffrn_refln_wavelength
- diffrn_refln_wavelength_id
diffrn_reflns_[]
- diffrn_reflns_av_R_equivalents
- diffrn_reflns_av_sigmaI/netI
- diffrn_reflns_av_unetI/netI
- diffrn_reflns_limit_
- diffrn_reflns_number
- diffrn_reflns_reduction_process
- diffrn_reflns_resolution_full
- diffrn_reflns_resolution_max
- diffrn_reflns_theta_full
- diffrn_reflns_theta_max
- diffrn_reflns_theta_min
- diffrn_reflns_transf_matrix_
diffrn_reflns_class_[]
- diffrn_reflns_class_av_R_eq
- diffrn_reflns_class_av_sgI/I
- diffrn_reflns_class_av_uI/I
- diffrn_reflns_class_code
- diffrn_reflns_class_description
- diffrn_reflns_class_d_res_high
- diffrn_reflns_class_d_res_low
- diffrn_reflns_class_number
diffrn_scale_group_[]
- diffrn_scale_group_code
- diffrn_scale_group_I_net
diffrn_source_[]
- diffrn_radiation_source
- diffrn_source
- diffrn_source_current
- diffrn_source_details
- diffrn_source_power
- diffrn_source_size
- diffrn_source_take-off_angle
- diffrn_source_target
- diffrn_source_type
- diffrn_source_voltage
diffrn_standard_refln_[]
- diffrn_standard_refln_code
- diffrn_standard_refln_index_
diffrn_standards_[]
- diffrn_standards_decay_%
- diffrn_standards_interval_
- diffrn_standards_number
- diffrn_standards_scale_sigma
- diffrn_standards_scale_u
exptl_[]
- exptl_absorpt_coefficient_mu
- exptl_absorpt_correction_T_
- exptl_absorpt_correction_type
- exptl_absorpt_process_details
- exptl_crystals_number
- exptl_special_details
exptl_crystal_[]
- exptl_crystal_colour
- exptl_crystal_colour_lustre
- exptl_crystal_colour_modifier
- exptl_crystal_colour_primary
- exptl_crystal_density_diffrn
- exptl_crystal_density_meas
- exptl_crystal_density_meas_
- exptl_crystal_density_meas_temp
- exptl_crystal_density_meas_temp_
- exptl_crystal_density_method
- exptl_crystal_description
- exptl_crystal_F_000
- exptl_crystal_id
- exptl_crystal_preparation
- exptl_crystal_pressure_history
- exptl_crystal_recrystallization_method
- exptl_crystal_size_
- exptl_crystal_thermal_history
exptl_crystal_face_[]
- exptl_crystal_face_diffr_
- exptl_crystal_face_index_
- exptl_crystal_face_perp_dist
geom_[]
- geom_special_details
geom_angle_[]
- geom_angle
- geom_angle_atom_site_label_
- geom_angle_publ_flag
- geom_angle_site_symmetry_
geom_bond_[]
- geom_bond_atom_site_label_
- geom_bond_distance
- geom_bond_publ_flag
- geom_bond_site_symmetry_
- geom_bond_valence
geom_contact_[]
- geom_contact_atom_site_label_
- geom_contact_distance
- geom_contact_publ_flag
- geom_contact_site_symmetry_
geom_hbond_[]
- geom_hbond_angle_DHA
- geom_hbond_atom_site_label_
- geom_hbond_distance_
- geom_hbond_publ_flag
- geom_hbond_site_symmetry_
geom_torsion_[]
- geom_torsion
- geom_torsion_atom_site_label_
- geom_torsion_publ_flag
- geom_torsion_site_symmetry_
journal_[]
- journal_
journal_index_[]
- journal_index_
publ_[]
- publ_contact_author
- publ_contact_author_address
- publ_contact_author_email
- publ_contact_author_fax
- publ_contact_author_id_iucr
- publ_contact_author_name
- publ_contact_author_phone
- publ_contact_letter
- publ_manuscript_creation
- publ_manuscript_processed
- publ_manuscript_text
- publ_requested_category
- publ_requested_coeditor_name
- publ_requested_journal
- publ_section_
publ_author_[]
- publ_author_address
- publ_author_footnote
- publ_author_id_iucr
- publ_author_name
publ_body_[]
- publ_body_contents
- publ_body_element
- publ_body_format
- publ_body_label
- publ_body_title
publ_manuscript_incl_[]
- publ_manuscript_incl_extra_defn
- publ_manuscript_incl_extra_info
- publ_manuscript_incl_extra_item
refine_[]
- refine_diff_density_
- refine_ls_abs_structure_details
- refine_ls_abs_structure_Flack
- refine_ls_abs_structure_Rogers
- refine_ls_d_res_high
- refine_ls_d_res_low
- refine_ls_extinction_coef
- refine_ls_extinction_expression
- refine_ls_extinction_method
- refine_ls_goodness_of_fit_all
- refine_ls_goodness_of_fit_gt
- refine_ls_goodness_of_fit_obs
- refine_ls_goodness_of_fit_ref
- refine_ls_hydrogen_treatment
- refine_ls_matrix_type
- refine_ls_number_constraints
- refine_ls_number_parameters
- refine_ls_number_reflns
- refine_ls_number_restraints
- refine_ls_R_factor_all
- refine_ls_R_factor_gt
- refine_ls_R_factor_obs
- refine_ls_R_Fsqd_factor
- refine_ls_R_I_factor
- refine_ls_restrained_S_all
- refine_ls_restrained_S_gt
- refine_ls_restrained_S_obs
- refine_ls_shift/esd_max
- refine_ls_shift/esd_mean
- refine_ls_shift/su_max
- refine_ls_shift/su_max_lt
- refine_ls_shift/su_mean
- refine_ls_shift/su_mean_lt
- refine_ls_structure_factor_coef
- refine_ls_weighting_details
- refine_ls_weighting_scheme
- refine_ls_wR_factor_all
- refine_ls_wR_factor_gt
- refine_ls_wR_factor_obs
- refine_ls_wR_factor_ref
- refine_special_details
refine_ls_class_[]
- refine_ls_class_code
- refine_ls_class_d_res_high
- refine_ls_class_d_res_low
- refine_ls_class_R_factor_
- refine_ls_class_R_Fsqd_factor
- refine_ls_class_R_I_factor
- refine_ls_class_wR_factor_all
refln_[]
- refln_A_
- refln_B_
- refln_class_code
- refln_d_spacing
- refln_crystal_id
- refln_F_
- refln_F_squared_
- refln_include_status
- refln_index_
- refln_intensity_
- refln_mean_path_length_tbar
- refln_observed_status
- refln_phase_calc
- refln_phase_meas
- refln_refinement_status
- refln_scale_group_code
- refln_sint/lambda
- refln_symmetry_epsilon
- refln_symmetry_multiplicity
- refln_wavelength
- refln_wavelength_id
reflns_[]
- reflns_d_resolution_
- reflns_Friedel_coverage
- reflns_limit_
- reflns_number_gt
- reflns_number_observed
- reflns_number_total
- reflns_observed_criterion
- reflns_special_details
- reflns_threshold_expression
reflns_class_[]
- reflns_class_code
- reflns_class_description
- reflns_class_d_res_high
- reflns_class_d_res_low
- reflns_class_number_gt
- reflns_class_number_total
- reflns_class_R_factor_
- reflns_class_R_Fsqd_factor
- reflns_class_R_I_factor
- reflns_class_wR_factor_all
reflns_scale_[]
- reflns_scale_group_code
- reflns_scale_meas_
reflns_shell_[]
- reflns_shell_d_res_high
- reflns_shell_d_res_low
- reflns_shell_meanI_over_sigI_all
- reflns_shell_meanI_over_sigI_gt
- reflns_shell_meanI_over_sigI_obs
- reflns_shell_meanI_over_uI_all
- reflns_shell_meanI_over_uI_gt
- reflns_shell_number_measured_all
- reflns_shell_number_measured_gt
- reflns_shell_number_measured_obs
- reflns_shell_number_possible
- reflns_shell_number_unique_all
- reflns_shell_number_unique_gt
- reflns_shell_number_unique_obs
- reflns_shell_percent_possible_all
- reflns_shell_percent_possible_gt
- reflns_shell_percent_possible_obs
- reflns_shell_Rmerge_F_all
- reflns_shell_Rmerge_F_gt
- reflns_shell_Rmerge_F_obs
- reflns_shell_Rmerge_I_all
- reflns_shell_Rmerge_I_gt
- reflns_shell_Rmerge_I_obs
space_group_[]
- space_group_crystal_system
- space_group_id
- space_group_IT_number
- space_group_name_Hall
- space_group_name_H-M_alt
space_group_symop_[]
- space_group_symop_id
- space_group_symop_operation_xyz
- space_group_symop_sg_id
symmetry_[]
- symmetry_cell_setting
- symmetry_Int_Tables_number
- symmetry_space_group_name_Hall
- symmetry_space_group_name_H-M
symmetry_equiv_[]
- symmetry_equiv_pos_as_xyz
- symmetry_equiv_pos_site_id
valence_param_[]
- valence_param_atom_1
- valence_param_atom_1_valence
- valence_param_atom_2
- valence_param_atom_2_valence
- valence_param_B
- valence_param_details
- valence_param_id
- valence_param_ref_id
- valence_param_Ro