LMucko/crystallography-open-database huggingface dataset:
The tretraphenylester of the μ-imido-dithiodiphosphoric acid and its palladium complex - crystal structures
Nouaman, Moein; Žak, Zdirad; Herrmann, Eckhard; Navrátil, Oldřich; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1147–1153; doi:10.1002/zaac.19936190630

data_1517986
_publ_section_title
;
 The tretraphenylester of the \m-imido-dithiodiphosphoric acid and its
 palladium complex - crystal structures
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1147
_journal_page_last               1153
_journal_paper_doi               10.1002/zaac.19936190630
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C24 H21 N O4 P2 S2'
_chemical_formula_weight         513.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.62(2)
_cell_angle_beta                 82.93(2)
_cell_angle_gamma                72.26(2)
_cell_formula_units_Z            4
_cell_length_a                   9.718(2)
_cell_length_b                   14.942(3)
_cell_length_c                   18.242(3)
_cell_volume                     2503.5(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    1.34
_refine_ls_number_parameters     595
_refine_ls_number_reflns         7793
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.066
_cod_data_source_file            SS.cif
_cod_data_source_block           SS
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-03
;
_cod_database_code               1517986
Intercalation of water molecules in a layer structure VOPO4. Crystal structure of VOPO4.2D2O
Tachez, Michel; Theobald, Francois; Bernard, Jean; Hewat, Alan W.; Revue de Chimie Minerale 19 (1982) 291–300; doi:

data_1517987
_publ_section_title
;
 Intercalation of water molecules in a layer structure VOPO4. Crystal
 structure of VOPO4.2D2O
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              291
_journal_page_last               300
_journal_volume                  19
_journal_year                    1982
_chemical_formula_sum            'D4 O7 P V'
_chemical_formula_weight         201.95
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.2154(2)
_cell_length_b                   6.2154(2)
_cell_length_c                   7.4029(7)
_cell_measurement_temperature    300
_cell_volume                     285.98(3)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  Diffractometer
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.909
_diffrn_source                   neutron
_exptl_crystal_density_diffrn    2.345
_pd_instr_location               Grenoble-D1A
_pd_meas_2theta_range_inc        0.05000
_pd_meas_2theta_range_max        160.00000
_pd_meas_2theta_range_min        6.00000
_pd_meas_number_of_points        3080
_pd_meas_scan_method             step
_refine_ls_number_reflns         288
_refine_ls_R_I_factor            18.6
_cod_data_source_file            VOPO4-2D2O.cif
_cod_data_source_block           VOPO4-2D2O
_cod_original_sg_symbol_H-M      'P 4/n:1'
_cod_database_code               1517987
Crystal structure and characterization of Cs2Zn3[Fe(CN)6]2.xH2O
Gravereau, Pierre; Garnier, Emmanuel; Revue de Chimie Minerale' 20 (1983) 68–77; doi:

data_1517988
_publ_section_title
;
 Crystal structure and characterization of Cs2Zn3[Fe(CN)6]2.xH2O
;
_journal_name_full               'Revue de Chimie Minerale''
_journal_page_first              68
_journal_page_last               77
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'C12 H12 Cs2 Fe2 N12 O6 Zn3'
_chemical_formula_weight         994.028
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.501(2)
_cell_length_b                   12.501(2)
_cell_length_c                   32.943(7)
_cell_volume                     4458.4(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.0
_exptl_crystal_density_diffrn    2.238
_refine_ls_number_reflns         481
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            RCM-1983-20-68-77.cif
_cod_data_source_block           RCM-1983-20-68-77
_cod_original_cell_volume        4458(2)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'C12 H12 Cs2 N12 Fe2 O6 Zn3'
_cod_database_code               1517988
Neuartige Si4Te10(8-) und Ge4Te10(8-) anionen im Na8Si4Te10 bzw. Na8Ge4Te10
Eisenmann, Brigitte; Schwerer, Heike; Schafer, Herbert; Revue de Chimie Minerale' 20 (1983) 78–87; doi:

data_1517991
_publ_section_title
;
 Neuartige Si4Te10(8-) und Ge4Te10(8-) anionen im Na8Si4Te10 bzw.
 Na8Ge4Te10
;
_journal_name_full               'Revue de Chimie Minerale''
_journal_page_first              78
_journal_page_last               87
_journal_volume                  20
_journal_year                    1983
_chemical_formula_moiety         'Si4 Te10, 8(Na)'
_chemical_formula_sum            'Na8 Si4 Te10'
_chemical_formula_weight         1572.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.22(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.073(12)
_cell_length_b                   12.842(12)
_cell_length_c                   14.882(12)
_cell_volume                     2688(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    10.977
_exptl_crystal_density_diffrn    3.885
_exptl_crystal_density_method    3.90
_exptl_crystal_F_000             2656
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1356
_refine_ls_wR_factor_gt          0.104
_cod_data_source_file            RCM-1983-20-78-87-1.cif
_cod_data_source_block           RCM-1983-20-78-87-1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1517991
Neuartige Si4Te10(8-) und Ge4Te10(8-) anionen im Na8Si4Te10 bzw. Na8Ge4Te10
Eisenmann, Brigitte; Schwerer, Heike; Schafer, Herbert; Revue de Chimie Minerale' 20 (1983) 78–87; doi:

data_1517992
_publ_section_title
;
 Neuartige Si4Te10(8-) und Ge4Te10(8-) anionen im Na8Si4Te10 bzw.
 Na8Ge4Te10
;
_journal_name_full               'Revue de Chimie Minerale''
_journal_page_first              78
_journal_page_last               87
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Ge4 Na8 Te10'
_chemical_formula_weight         1750.36
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.71(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.128(12)
_cell_length_b                   12.938(12)
_cell_length_c                   15.028(12)
_cell_volume                     2744(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.876
_exptl_crystal_density_diffrn    4.237
_exptl_crystal_F_000             2944
_refine_ls_number_parameters     159
_refine_ls_number_reflns         2313
_refine_ls_wR_factor_gt          0.099
_cod_data_source_file            RCM-1983-20-78-87-2.cif
_cod_data_source_block           RCM-1983-20-78-87-2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Na8 Ge4 Te10'
_cod_database_code               1517992
Synthese, etude structurale par rayons X et par spectrometrie infrarouge et Raman du tellurite basique Li2TeO3, LiOH
Cachau-Herreillat, D; Norbert, A; Maurin, M; Fourcade, R; Philippot, E; Revue de Chimie Minerale' 20 (1983) 129–139; doi:

data_1517993
_publ_section_title
;
 Synthese, etude structurale par rayons X et par spectrometrie infrarouge
 et Raman du tellurite basique Li2TeO3, LiOH
;
_journal_name_full               'Revue de Chimie Minerale''
_journal_page_first              129
_journal_page_last               139
_journal_volume                  20
_journal_year                    1983
_chemical_formula_moiety         'O3 Te, H O, 3(Li)'
_chemical_formula_sum            'H Li3 O4 Te'
_chemical_formula_weight         213.43
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.20(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.771(2)
_cell_length_b                   6.309(2)
_cell_length_c                   5.433(2)
_cell_volume                     213.32(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.842
_exptl_crystal_density_diffrn    3.323
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             188
_refine_ls_number_reflns         695
_refine_ls_R_factor_gt           0.046
_cod_data_source_file            RCM-1983-20-129-139.cif
_cod_data_source_block           RCM-1983-20-129-139
_cod_original_cell_volume        213.3
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1517993
PNb2S10 a new two-dimensional sulfide. Synthesis and structural characterization
Brec, Raymond; Grenouilleau, Philippe; Evain, Michel; Rouxel, Jean; Revue de Chimie Minerale 20 (1983) 295–305; doi:

data_1517994
_publ_section_title
;
 PNb2S10 a new two-dimensional sulfide. Synthesis and structural
 characterization
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              295
_journal_page_last               305
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Nb2 P S10'
_chemical_formula_weight         537.49
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.739(2)
_cell_length_b                   12.950(1)
_cell_length_c                   7.211(1)
_cell_volume                     1283.0(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.489
_exptl_crystal_density_diffrn    2.783
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1028
_refine_ls_number_reflns         1921
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.048
_cod_data_source_file            RCM-1983-20-295-304.cif
_cod_data_source_block           RCM-1983-20-295-304
_cod_database_code               1517994
Structure cristalline de MSb3F10 (M = NH4, Rb, Tl)
Ducourant, B; Fourcade, R.; Mascherpa, G.; Revue de Chimie Minerale 20 (1983) 314–320; doi:

data_1518006
_publ_section_title
;
 Structure cristalline de MSb3F10 (M = NH4, Rb, Tl)
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              314
_journal_page_last               320
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'F10 H4 N Sb3'
_chemical_formula_weight         573.23
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.90(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.925(2)
_cell_length_b                   13.830(4)
_cell_length_c                   8.789(2)
_cell_volume                     958.2(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    86.12
_exptl_crystal_density_diffrn    3.97
_exptl_crystal_density_method    3.89
_exptl_crystal_F_000             1000
_refine_ls_number_reflns         1934
_refine_ls_R_factor_gt           0.07
_cod_data_source_file            RCM-1983-20-314-320.cif
_cod_data_source_block           RCM-1983-20-314-320
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518006
Zur kenntnis von BaAl4S7 und BaGa4S7
Eisenmann, Brigitte; Jakowski, Mareike; Schafer, Herbert; Revue de Chimie Minerale 20 (1983) 329–337; doi:

data_1518017
_publ_section_title
;
 Zur kenntnis von BaAl4S7 und BaGa4S7
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              329
_journal_page_last               337
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Al4 Ba S7'
_chemical_formula_weight         469.74
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.814(4)
_cell_length_b                   6.218(2)
_cell_length_c                   5.891(2)
_cell_volume                     542.6(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.267
_exptl_crystal_density_diffrn    2.875
_exptl_crystal_density_method    2.88
_exptl_crystal_F_000             440
_refine_ls_number_parameters     57
_refine_ls_number_reflns         636
_refine_ls_wR_factor_gt          0.054
_cod_data_source_file            RCM-1983-20-329-337-1.cif
_cod_data_source_block           RCM-1983-20-329-337-1
_cod_database_code               1518017
Zur kenntnis von BaAl4S7 und BaGa4S7
Eisenmann, Brigitte; Jakowski, Mareike; Schafer, Herbert; Revue de Chimie Minerale 20 (1983) 329–337; doi:

data_1518018
_publ_section_title
;
 Zur kenntnis von BaAl4S7 und BaGa4S7
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              329
_journal_page_last               337
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Ba Ga4 S7'
_chemical_formula_weight         640.70
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.774(4)
_cell_length_b                   6.237(2)
_cell_length_c                   5.934(2)
_cell_volume                     546.8(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.548
_exptl_crystal_density_diffrn    3.891
_exptl_crystal_density_method    3.98
_exptl_crystal_F_000             584
_refine_ls_number_parameters     57
_refine_ls_number_reflns         830
_refine_ls_wR_factor_gt          0.069
_cod_data_source_file            RCM-1983-20-329-337-2.cif
_cod_data_source_block           RCM-1983-20-329-337-2
_cod_database_code               1518018
Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha
Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne; Revue de Chimie Minerale 20 (1983) 338–350; doi:

data_1518030
_publ_section_title
;
 Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des
 structures de type quartz alpha
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              338
_journal_page_last               350
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Al As O4'
_chemical_formula_weight         165.90
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.022(1)
_cell_length_b                   5.022(1)
_cell_length_c                   11.215(4)
_cell_volume                     244.95(11)
_diffrn_ambient_temperature      173
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    10.507
_exptl_crystal_density_diffrn    3.374
_exptl_crystal_F_000             234
_refine_ls_number_reflns         516
_refine_ls_R_factor_gt           0.012
_cod_data_source_file            RCM-1983-20-338-350-AlAsO4-173.cif
_cod_data_source_block           AlAsO4-173
_cod_original_cell_volume        244.95(15)
_cod_database_code               1518030
Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha
Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne; Revue de Chimie Minerale 20 (1983) 338–350; doi:

data_1518031
_publ_section_title
;
 Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des
 structures de type quartz alpha
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              338
_journal_page_last               350
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Al As O4'
_chemical_formula_weight         165.90
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.027(1)
_cell_length_b                   5.027(1)
_cell_length_c                   11.213(3)
_cell_volume                     245.40(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    10.488
_exptl_crystal_density_diffrn    3.368
_exptl_crystal_F_000             234
_refine_ls_number_reflns         302
_refine_ls_R_factor_gt           0.011
_cod_data_source_file            RCM-1983-20-338-350-AlAsO4-293.cif
_cod_data_source_block           AlAsO4-293
_cod_original_cell_volume        245.40(14)
_cod_database_code               1518031
Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des structures de type quartz alpha
Goiffon, Aline; Bayle, Gisele; Astier, Rene; Jumas, Jean-Claude; Maurin, Maurice; Philippot, Etienne; Revue de Chimie Minerale 20 (1983) 338–350; doi:

data_1518032
_publ_section_title
;
 Cristallochimie des phases GaPO4, AlAsO4 et GaAsO4. Etude comparee des
 structures de type quartz alpha
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              338
_journal_page_last               350
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'As Ga O4'
_chemical_formula_weight         208.64
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.986(3)
_cell_length_b                   4.986(3)
_cell_length_c                   11.375(7)
_cell_volume                     244.9(3)
_diffrn_ambient_temperature      173
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    18.314
_exptl_crystal_density_diffrn    4.244
_exptl_crystal_F_000             288
_refine_ls_number_reflns         282
_refine_ls_R_factor_gt           0.018
_cod_data_source_file            RCM-1983-20-338-350-GaAsO4-173.cif
_cod_data_source_block           GaAsO4-173
_cod_original_cell_volume        244.9(4)
_cod_database_code               1518032