LMucko/crystallography-open-database huggingface dataset:
Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 40 K
Kubel, F.; Yvon, K.; Acta Crystallographica, Section C 46 (1990) 181–186; doi:10.1107/S0108270189005913

data_9007735
_publ_section_title
;
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 40 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              181
_journal_page_last               186
_journal_paper_doi               10.1107/S0108270189005913
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     EuMo6S8
_chemical_formula_sum            'Eu Mo6 S8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.179
_cell_angle_beta                 89.184
_cell_angle_gamma                88.009
_cell_length_a                   6.4692
_cell_length_b                   6.5651
_cell_length_c                   6.5986
_cell_formula_units_Z            1
_cell_volume                     280.024
_database_code_amcsd             0010095
_diffrn_ambient_temperature      40
_exptl_crystal_density_diffrn    5.836
_cod_database_code               9007735
_amcsd_formula_title             EuMo6S8
Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 177 K
Kubel, F.; Yvon, K.; Acta Crystallographica, Section C 46 (1990) 181–186; doi:10.1107/S0108270189005913

data_9007736
_publ_section_title
;
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 177 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              181
_journal_page_last               186
_journal_paper_doi               10.1107/S0108270189005913
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     BaMo6S8
_chemical_formula_sum            'Ba Mo6 S8'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                88.562
_cell_angle_beta                 88.562
_cell_angle_gamma                88.562
_cell_length_a                   6.6441
_cell_length_b                   6.6441
_cell_length_c                   6.6441
_cell_formula_units_Z            1
_cell_volume                     293.025
_database_code_amcsd             0010096
_diffrn_ambient_temperature      177
_exptl_crystal_density_diffrn    5.494
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9007736
_amcsd_formula_title             BaMo6S8
Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 173 K
Kubel, F.; Yvon, K.; Acta Crystallographica, Section C 46 (1990) 181–186; doi:10.1107/S0108270189005913

data_9007737
_publ_section_title
;
 Structural phase transitions in Chevrel phases containing divalent
 metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8
 at low temperature
 Sample: T = 173 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              181
_journal_page_last               186
_journal_paper_doi               10.1107/S0108270189005913
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     BaMo6S8
_chemical_formula_sum            'Ba Mo6 S8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.731
_cell_angle_beta                 88.818
_cell_angle_gamma                88.059
_cell_length_a                   6.5896
_cell_length_b                   6.6500
_cell_length_c                   6.6899
_cell_formula_units_Z            1
_cell_volume                     292.859
_database_code_amcsd             0010097
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    5.497
_cod_database_code               9007737
_amcsd_formula_title             BaMo6S8
Structure investigation by neutron diffraction of deuterated cobalt fluosilicate hexahydrate
Chevrier, G.; Saint-James R; Acta Crystallographica, Section C 46 (1990) 186–189; doi:10.1107/S0108270189006128

data_9007738
_publ_section_title
;
 Structure investigation by neutron diffraction of deuterated
 cobalt fluosilicate hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              186
_journal_page_last               189
_journal_paper_doi               10.1107/S0108270189006128
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     CoSiF6*6D2O
_chemical_formula_sum            'Co D12 F6 O6 Si'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.369
_cell_length_b                   9.369
_cell_length_c                   9.731
_cell_formula_units_Z            3
_cell_volume                     739.732
_exptl_crystal_density_diffrn    2.163
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Co Si F6 O6 D12'
_cod_database_code               9007738
_database_code_amcsd 0010098
Kalium-dioxonium-hexafluoroaluminat
Frenzen, G.; Massa, W.; Acta Crystallographica, Section C 46 (1990) 190–192; doi:10.1107/S0108270189006529

data_9007739
_publ_section_title
;
 Kalium-dioxonium-hexafluoroaluminat
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              190
_journal_page_last               192
_journal_paper_doi               10.1107/S0108270189006529
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     (H2O)2KAlF6
_chemical_formula_sum            'Al F6 H6 K O2'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6464
_cell_length_b                   8.6464
_cell_length_c                   8.6464
_cell_formula_units_Z            4
_cell_volume                     646.407
_database_code_amcsd             0010099
_exptl_crystal_density_diffrn    2.241
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'K Al F6 O2 H6'
_cod_database_code               9007739
_amcsd_formula_title             (H2O)2KAlF6
Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)
Range, K. J.; Haase, H.; Acta Crystallographica, Section C 46 (1990) 317–318; doi:10.1107/S0108270189006104

data_9007740
_publ_section_title
;
 Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              317
_journal_page_last               318
_journal_paper_doi               10.1107/S0108270189006104
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na2W2O7
_chemical_formula_sum            'Na2 O7 W2'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7777
_cell_length_b                   26.6067
_cell_length_c                   5.4290
_cell_formula_units_Z            4
_cell_volume                     545.680
_database_code_amcsd             0010100
_exptl_crystal_density_diffrn    6.399
_cod_original_formula_sum        'W2 Na2 O7'
_cod_database_code               9007740
_amcsd_formula_title             Na2W2O7
Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 123 K
Bartmann, K.; Mootz, D.; Acta Crystallographica, Section C 46 (1990) 319–320; doi:10.1107/S0108270189010395

data_9007741
_publ_section_title
;
 Structures of two strong Bronsted acids: (I) fluorosulfuric
 acid and (II) trifluoromethanesulfonic acid
 Sample: T = 123 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              319
_journal_page_last               320
_journal_paper_doi               10.1107/S0108270189010395
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     FSO2(OH)
_chemical_formula_sum            'F H O3 S'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.868
_cell_length_b                   6.736
_cell_length_c                   9.359
_cell_volume                     306.890
_database_code_amcsd             0010101
_diffrn_ambient_temperature      123
_exptl_crystal_density_diffrn    2.166
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'S F O3 H'
_cod_database_code               9007741
_amcsd_formula_title             FSO2(OH)
Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 173 K
Bartmann, K.; Mootz, D.; Acta Crystallographica, Section C 46 (1990) 319–320; doi:10.1107/S0108270189010395

data_9007742
_publ_section_title
;
 Structures of two strong Bronsted acids: (I) fluorosulfuric
 acid and (II) trifluoromethanesulfonic acid
 Sample: T = 173 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              319
_journal_page_last               320
_journal_paper_doi               10.1107/S0108270189010395
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     CF3SO2(OH)
_chemical_formula_sum            'C H F3 O3 S'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.21
_cell_angle_gamma                90
_cell_length_a                   4.947
_cell_length_b                   11.260
_cell_length_c                   8.457
_cell_formula_units_Z            4
_cell_volume                     465.009
_database_code_amcsd             0010102
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    2.144
_cod_original_formula_sum        'S F3 O3 C H'
_cod_database_code               9007742
_amcsd_formula_title             CF3SO2(OH)
The structure of hexaaquanickel(II) chlorate
Gallucci, J. C.; Gerkin, R. E.; Acta Crystallographica, Section C 46 (1990) 350–354; doi:10.1107/S0108270189006943

data_9007743
_publ_section_title
;
 The structure of hexaaquanickel(II) chlorate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              350
_journal_page_last               354
_journal_paper_doi               10.1107/S0108270189006943
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ni(H2O)6(ClO3)2
_chemical_formula_sum            'Cl2 H12 Ni O12'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.3159
_cell_length_b                   10.3159
_cell_length_c                   10.3159
_cell_formula_units_Z            4
_cell_volume                     1097.795
_database_code_amcsd             0010103
_exptl_crystal_density_diffrn    2.019
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Ni Cl2 O12 H12'
_cod_database_code               9007743
_amcsd_formula_title             Ni(H2O)6(ClO3)2
Untwinned single crystals of the high-temperature superconductor YBa2Cu3O7-x
Brodt, K.; Fuess, H.; Paulus, E. F.; Assmus, W.; Kowalewski, J.; Acta Crystallographica, Section C 46 (1990) 354–358; doi:10.1107/S0108270189006803

data_9007744
_publ_section_title
;
 Untwinned single crystals of the high-temperature superconductor
 YBa2Cu3O7-x
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              354
_journal_page_last               358
_journal_paper_doi               10.1107/S0108270189006803
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     YBa2Cu2.94O6.82
_chemical_formula_sum            'Ba2 Cu2.941 O6.822 Y'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.836
_cell_length_b                   3.883
_cell_length_c                   11.686
_cell_formula_units_Z            1
_cell_volume                     174.065
_database_code_amcsd             0010104
_exptl_crystal_density_diffrn    6.292
_cod_original_formula_sum        'Y Ba2 Cu2.941 O6.822'
_cod_database_code               9007744
_amcsd_formula_title             YBa2Cu2.94O6.82
Redetermination of the structure of caesium hydrogensulfate
Itoh, K.; Ukeda, T.; Ozaki, T.; Nakamura, E.; Acta Crystallographica, Section C 46 (1990) 358–361; doi:10.1107/S0108270189007249

data_9007745
_publ_section_title
;
 Redetermination of the structure of caesium hydrogensulfate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              358
_journal_page_last               361
_journal_paper_doi               10.1107/S0108270189007249
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     CsHSO4
_chemical_formula_sum            'Cs H O4 S'
_space_group_IT_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                 119.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.214
_cell_length_b                   5.809
_cell_length_c                   10.984
_cell_volume                     456.651
_database_code_amcsd             0010105
_exptl_crystal_density_diffrn    3.345
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Cs S O4 H'
_cod_database_code               9007745
_amcsd_formula_title             CsHSO4
Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction
Lutz, H. D.; Kellersohn, T.; Vogt, T.; Acta Crystallographica, Section C 46 (1990) 361–363; doi:10.1107/S0108270189006761

data_9007746
_publ_section_title
;
 Hydrogen bonding in barium hydroxide trihydrate by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              361
_journal_page_last               363
_journal_paper_doi               10.1107/S0108270189006761
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ba(OH)2.3H2O
_chemical_formula_sum            'Ba H8 O5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.640
_cell_length_b                   11.403
_cell_length_c                   5.965
_cell_formula_units_Z            4
_cell_volume                     519.664
_database_code_amcsd             0010106
_exptl_crystal_density_diffrn    2.881
_cod_original_formula_sum        'Ba O5 H8'
_cod_database_code               9007746
_amcsd_formula_title             Ba(OH)2.3H2O
The structure of metastable lithium disilicate, Li2Si2O5
Smith, R. I.; Howie, R. A.; West, A. R.; Aragon-Pina A; Villafuerte-Castrejon M E; Acta Crystallographica, Section C 46 (1990) 363–365; doi:10.1107/S010827018900750X

data_9007747
_publ_section_title
;
 The structure of metastable lithium disilicate, Li2Si2O5
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              363
_journal_page_last               365
_journal_paper_doi               10.1107/S010827018900750X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Li2Si2O5
_chemical_formula_sum            'Li2 O5 Si2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.683
_cell_length_b                   4.784
_cell_length_c                   14.648
_cell_formula_units_Z            4
_cell_volume                     398.242
_database_code_amcsd             0010107
_exptl_crystal_density_diffrn    2.503
_cod_original_formula_sum        'Li2 Si2 O5'
_cod_database_code               9007747
_amcsd_formula_title             Li2Si2O5
Structure du sulfure de thulium et de zinc ZnTm2S4
Lemoine, P.; Tomas, A.; Vovan, T.; Guittard, M.; Acta Crystallographica, Section C 46 (1990) 365–368; doi:10.1107/S0108270189007936

data_9007748
_publ_section_title
;
 Structure du sulfure de thulium et de zinc ZnTm2S4
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              365
_journal_page_last               368
_journal_paper_doi               10.1107/S0108270189007936
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     ZnTm2S4
_chemical_formula_sum            'S4 Tm2 Zn'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.308
_cell_length_b                   7.769
_cell_length_c                   6.285
_cell_formula_units_Z            4
_cell_volume                     649.805
_database_code_amcsd             0010108
_exptl_crystal_density_diffrn    5.433
_cod_original_formula_sum        'Tm2 Zn S4'
_cod_database_code               9007748
_amcsd_formula_title             ZnTm2S4
Structure of Na4OI2
Sabrowsky, H.; Hippler, K.; Sitta, S.; Vogt, P.; Walz, L.; Acta Crystallographica, Section C 46 (1990) 368–369; doi:10.1107/S0108270189007912

data_9007749
_publ_section_title
;
 Structure of Na4OI2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              368
_journal_page_last               369
_journal_paper_doi               10.1107/S0108270189007912
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na4OI2
_chemical_formula_sum            'I2 Na4 O'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.655
_cell_length_b                   4.655
_cell_length_c                   15.940
_cell_formula_units_Z            2
_cell_volume                     345.404
_database_code_amcsd             0010109
_exptl_crystal_density_diffrn    3.478
_cod_original_formula_sum        'Na4 O I2'
_cod_database_code               9007749
_amcsd_formula_title             Na4OI2
Structure of Ba2Cu(BO3)2
Smith, R. W.; Keszler, D. A.; Acta Crystallographica, Section C 46 (1990) 370–372; doi:10.1107/S0108270189005950

data_9007750
_publ_section_title
;
 Structure of Ba2Cu(BO3)2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              370
_journal_page_last               372
_journal_paper_doi               10.1107/S0108270189005950
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ba2Cu(BO3)2
_chemical_formula_sum            'B2 Ba2 Cu O6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.023
_cell_length_b                   11.290
_cell_length_c                   13.889
_cell_formula_units_Z            8
_cell_volume                     1258.061
_database_code_amcsd             0010110
_exptl_crystal_density_diffrn    4.813
_cod_original_formula_sum        'Ba2 Cu B2 O6'
_cod_database_code               9007750
_amcsd_formula_title             Ba2Cu(BO3)2
Synthese et structure du borouranate de lithium LiBUO5
Gasperin, M.; Acta Crystallographica, Section C 46 (1990) 372–374; doi:10.1107/S0108270189007948

data_9007751
_publ_section_title
;
 Synthese et structure du borouranate de lithium LiBUO5
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              372
_journal_page_last               374
_journal_paper_doi               10.1107/S0108270189007948
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     LiBUO5
_chemical_formula_sum            'B Li O5 U'
_space_group_IT_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                 105.04
_cell_angle_gamma                90
_cell_length_a                   5.767
_cell_length_b                   10.574
_cell_length_c                   6.835
_cell_formula_units_Z            4
_cell_volume                     402.523
_exptl_crystal_density_diffrn    5.541
_cod_original_formula_sum        'U B Li O5'
_cod_database_code               9007751
_cod_duplicate_entry 1001413
Structure of omega-Ti3Al2.25Nb.75
Shoemaker, C. B.; Shoemaker, D. P.; Bendersky, L. A.; Acta Crystallographica, Section C 46 (1990) 374–377; doi:10.1107/S0108270189008504

data_9007752
_publ_section_title
;
 Structure of omega-Ti3Al2.25Nb.75
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              374
_journal_page_last               377
_journal_paper_doi               10.1107/S0108270189008504
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ti3Al2.25Nb.75
_chemical_formula_sum            'Al2.26 Nb0.8 Ti2.94'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.5554
_cell_length_b                   4.5554
_cell_length_c                   5.5415
_cell_volume                     99.589
_database_code_amcsd             0010112
_exptl_crystal_density_diffrn    4.603
_cod_original_formula_sum        'Ti2.94 Nb.8 Al2.26'
_cod_database_code               9007752
_amcsd_formula_title             Ti3Al2.25Nb.75