LMucko/crystallography-open-database huggingface dataset:
Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADP
Khan, A. A.; Baur, W. H.; Acta Crystallographica, Section B 29 (1973) 2721–2726; doi:10.1107/S0567740873007442

data_9007580
_publ_section_title
;
 Refinement of the crystal structures of ammonium dihydrogen phosphate and
 ammonium dihydrogen arsenate
 Note: known as ADP
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2721
_journal_page_last               2726
_journal_paper_doi               10.1107/S0567740873007442
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H6 N O4 P'
_chemical_name_mineral           Biphosphammite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4997
_cell_length_b                   7.4997
_cell_length_c                   7.5494
_cell_formula_units_Z            4
_cell_volume                     424.620
_database_code_amcsd             0009493
_exptl_crystal_density_diffrn    1.799
_cod_original_formula_sum        'P N O4 H6'
_cod_database_code               9007580
Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADA
Khan, A. A.; Baur, W. H.; Acta Crystallographica, Section B 29 (1973) 2721–2726; doi:10.1107/S0567740873007442

data_9007581
_publ_section_title
;
 Refinement of the crystal structures of ammonium dihydrogen phosphate and
 ammonium dihydrogen arsenate
 Note: known as ADA
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2721
_journal_page_last               2726
_journal_paper_doi               10.1107/S0567740873007442
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     NH4H2AsO4
_chemical_formula_sum            'As H6 N O4'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.6998
_cell_length_b                   7.6998
_cell_length_c                   7.7158
_cell_formula_units_Z            4
_cell_volume                     457.446
_database_code_amcsd             0009494
_exptl_crystal_density_diffrn    2.308
_cod_original_formula_sum        'As N O4 H6'
_cod_database_code               9007581
_amcsd_formula_title             NH4H2AsO4
Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite
Baur, W. H.; Acta Crystallographica, Section B 29 (1973) 2726–2731; doi:10.1107/S0567740873007454

data_9007582
_publ_section_title
;
 Reconstruction of local atomic environments in the disordered
 hydrogen-bonded crystal structures of paraelectric ammonium
 dihydrogen phosphate and potassium dihydrogen phosphate
 Note: known as KDP
 Note: polymorph of archerite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2726
_journal_page_last               2731
_journal_paper_doi               10.1107/S0567740873007454
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     KH2PO4
_chemical_formula_sum            'H2 K O4 P'
_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_length_a                   7.434
_cell_length_b                   7.434
_cell_length_c                   6.945
_cell_formula_units_Z            4
_cell_volume                     383.811
_database_code_amcsd             0009495
_exptl_crystal_density_diffrn    2.355
_cod_original_formula_sum        'K P O4 H2'
_cod_database_code               9007582
_amcsd_formula_title             KH2PO4
Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: polymorph of biphosphammite
Baur, W. H.; Acta Crystallographica, Section B 29 (1973) 2726–2731; doi:10.1107/S0567740873007454

data_9007583
_publ_section_title
;
 Reconstruction of local atomic environments in the disordered
 hydrogen-bonded crystal structures of paraelectric ammonium
 dihydrogen phosphate and potassium dihydrogen phosphate
 Note: polymorph of biphosphammite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2726
_journal_page_last               2731
_journal_paper_doi               10.1107/S0567740873007454
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     NH4H2PO4
_chemical_formula_sum            'H6 N O4 P'
_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_length_a                   7.4997
_cell_length_b                   7.4997
_cell_length_c                   7.5493
_cell_formula_units_Z            4
_cell_volume                     424.614
_exptl_crystal_density_diffrn    1.799
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_formula_sum        'N H6 P O4'
_cod_database_code               9007583
_database_code_amcsd 0009496
Structure cristalline de VOSO4((H2O)3 Locality: synthetic Note: polymorph of bobjonesite
Theobald, F.; Galy, J.; Acta Crystallographica, Section B 29 (1973) 2732–2736; doi:10.1107/S0567740873007466

data_9007584
_publ_section_title
;
 Structure cristalline de VOSO4((H2O)3
 Locality: synthetic
 Note: polymorph of bobjonesite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2732
_journal_page_last               2736
_journal_paper_doi               10.1107/S0567740873007466
_journal_volume                  29
_journal_year                    1973
_chemical_formula_structural     VOSO4(H2O)3
_chemical_formula_sum            'H12 O16 S2 V2'
_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                 108.9
_cell_angle_gamma                90
_cell_length_a                   7.411
_cell_length_b                   7.439
_cell_length_c                   12.272
_cell_volume                     640.084
_cell_formula_units_Z            2
_cod_depositor_comments
;
  Z value inserted and formula changed to reflect dimeric structure
   Water oxygen renamed so they are recognized as such
                               Miguel.
;
_exptl_crystal_density_diffrn    2.252
_cod_original_formula_sum        'V S O8 H6'
_cod_database_code               9007584
Structure cristalline de la variete basse temperature du pyrovanadate de cuivre: Cu2V2O7 alpha
Mercurio-Lavaud D; Frit, B.; Acta Crystallographica, Section B 29 (1973) 2737–2741; doi:10.1107/S0567740873007478

data_9007585
_publ_section_title
;
 Structure cristalline de la variete basse temperature
 du pyrovanadate de cuivre: Cu2V2O7 alpha
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2737
_journal_page_last               2741
_journal_paper_doi               10.1107/S0567740873007478
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 O7 V2'
_chemical_name_mineral           Blossite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.680
_cell_length_b                   8.411
_cell_length_c                   6.448
_cell_formula_units_Z            8
_cell_volume                     1121.562
_database_code_amcsd             0009498
_exptl_crystal_density_diffrn    4.039
_cod_original_formula_sum        'Cu2 V2 O7'
_cod_database_code               9007585
The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa Locality: Tsumeb mine, Namibia, Africa
Tillmanns, E.; Gebert, W.; Acta Crystallographica, Section B 29 (1973) 2789–2794; doi:10.1107/S0567740873007545

data_9007586
_publ_section_title
;The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W.
 Africa Locality: Tsumeb mine, Namibia, Africa
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2789
_journal_page_last               2794
_journal_paper_doi               10.1107/S0567740873007545
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        'Tsumeb mine, Namibia, Africa'
_chemical_formula_sum            'As2 Fe H5 O10 Pb Zn'
_chemical_name_mineral           Tsumcorite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.124
_cell_length_b                   6.329
_cell_length_c                   7.577
_cell_volume                     395.637
_database_code_amcsd             0009499
_exptl_crystal_density_diffrn    5.400
_cod_original_formula_sum        'Pb Zn Fe As2 O10 H5'
_cod_database_code               9007586
The crystal structure of orthorhombic antimony trioxide, Sb2O3
Svensson, C.; Acta Crystallographica, Section B 30 (1974) 458–461; doi:10.1107/S0567740874002986

data_9007587
_publ_section_title
;
 The crystal structure of orthorhombic antimony trioxide, Sb2O3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              458
_journal_page_last               461
_journal_paper_doi               10.1107/S0567740874002986
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Valentinite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.911
_cell_length_b                   12.464
_cell_length_c                   5.412
_cell_formula_units_Z            4
_cell_volume                     331.272
_database_code_amcsd             0009500
_exptl_crystal_density_diffrn    5.845
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9007587
Structural chemistry of copper and zinc minerals. II. Stereochemistry of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O
Ghose, S.; Wan, C.; Acta Crystallographica, Section B 30 (1974) 965–974; doi:10.1107/S0567740874004110

data_9007588
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. II. Stereochemistry
 of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              965
_journal_page_last               974
_journal_paper_doi               10.1107/S0567740874004110
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        'Chuquicamata, Chile'
_chemical_formula_sum            'Cu3 H4 I6 O20'
_chemical_name_mineral           Bellingerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.096
_cell_angle_beta                 92.945
_cell_angle_gamma                96.952
_cell_formula_units_Z            1
_cell_length_a                   7.2560
_cell_length_b                   7.9503
_cell_length_c                   7.8559
_cell_volume                     432.702
_database_code_amcsd             0009503
_exptl_crystal_density_diffrn    4.897
_cod_original_formula_sum        'Cu3 I6 O20 H4'
_cod_database_code               9007588
The crystal structure of wenkite
Merlino, S.; Acta Crystallographica, Section B 30 (1974) 1262–1266; doi:10.1107/S056774087400464X

data_9007589
_publ_section_title
;
 The crystal structure of wenkite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1262
_journal_page_last               1266
_journal_paper_doi               10.1107/S056774087400464X
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        'Candoglia, Italy'
_chemical_formula_sum            'Al9 Ba3.5 Ca5.5 H2 K0.5 Na0.5 O55 S3 Si11'
_chemical_name_mineral           Wenkite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.511
_cell_length_b                   13.511
_cell_length_c                   7.462
_cell_volume                     1179.671
_database_code_amcsd             0009505
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        '(Ba3.5 K.5) (Ca5.5 Na.5) Si11 Al9 S3 O55 H2'
_cod_database_code               9007589
Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C
Anderson, T. L.; Krause, H. B.; Acta Crystallographica, Section B 30 (1974) 1307–1310; doi:10.1107/S0567740874004729

data_9007590
_publ_section_title
;
 Refinement of the Sb2Te3 and Sb2Te3Se structures and
 their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds
 Sample: T = 29 C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1307
_journal_page_last               1310
_journal_paper_doi               10.1107/S0567740874004729
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Sb2 Te3'
_chemical_name_mineral           Tellurantimony
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.264
_cell_length_b                   4.264
_cell_length_c                   30.458
_cell_formula_units_Z            3
_cell_volume                     479.586
_database_code_amcsd             0009506
_diffrn_ambient_temperature      302.15
_exptl_crystal_density_diffrn    6.506
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9007590
Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C
Anderson, T. L.; Krause, H. B.; Acta Crystallographica, Section B 30 (1974) 1307–1310; doi:10.1107/S0567740874004729

data_9007591
_publ_section_title
;
 Refinement of the Sb2Te3 and Sb2Te3Se structures and
 their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds
 Sample: T = 29 C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1307
_journal_page_last               1310
_journal_paper_doi               10.1107/S0567740874004729
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_structural     Sb2Te3Se
_chemical_formula_sum            'Sb2 Se Te2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.188
_cell_length_b                   4.188
_cell_length_c                   29.937
_cell_formula_units_Z            3
_cell_volume                     454.729
_database_code_amcsd             0009507
_diffrn_ambient_temperature      302.15
_exptl_crystal_density_diffrn    6.328
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Sb2 Te2 Se'
_cod_database_code               9007591
_amcsd_formula_title             Sb2Te3Se
The crystal structure of brazilianite, NaAl3(PO4)2(OH)4
Gatehouse, B. M.; Miskin, B. K.; Acta Crystallographica, Section B 30 (1974) 1311–1317; doi:10.1107/S0567740874004730

data_9007592
_publ_section_title
;
 The crystal structure of brazilianite, NaAl3(PO4)2(OH)4
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1311
_journal_page_last               1317
_journal_paper_doi               10.1107/S0567740874004730
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        'Corrego Frio pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum            'Al3 H4 Na O12 P2'
_chemical_name_mineral           Brazilianite
_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                 97.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.233
_cell_length_b                   10.142
_cell_length_c                   7.097
_cell_volume                     801.847
_database_code_amcsd             0009508
_exptl_crystal_density_diffrn    2.998
_cod_original_formula_sum        'P2 Al3 Na O12 H4'
_cod_database_code               9007592
The crystal structure of monoclinic gamma-sulfur
Watanabe, Y.; Acta Crystallographica, Section B 30 (1974) 1396–1401; doi:10.1107/S0567740874004961

data_9007593
_publ_section_title
;
 The crystal structure of monoclinic gamma-sulfur
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1396
_journal_page_last               1401
_journal_paper_doi               10.1107/S0567740874004961
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            S8
_chemical_name_mineral           Rosickyite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.98
_cell_angle_gamma                90
_cell_length_a                   8.442
_cell_length_b                   13.025
_cell_length_c                   9.356
_cell_formula_units_Z            4
_cell_volume                     842.915
_database_code_amcsd             0009509
_exptl_crystal_density_diffrn    2.021
_cod_database_code               9007593
Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite)
Catti, M.; Ferraris, G.; Acta Crystallographica, Section B 30 (1974) 1789–1794; doi:10.1107/S0567740874005814

data_9007594
_publ_section_title
;
 Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1789
_journal_page_last               1794
_journal_paper_doi               10.1107/S0567740874005814
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As5 Ca6.25 H20 O30'
_chemical_name_mineral           Guerinite
_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                 90.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.630
_cell_length_b                   6.734
_cell_length_c                   23.470
_cell_volume                     2786.215
_database_code_amcsd             0009510
_exptl_crystal_density_diffrn    2.682
_cod_original_formula_sum        'Ca6.25 As5 O30 H20'
_cod_database_code               9007594
Alpha stannous tungstate: Properties, crystal structure and relationship to ferroelectric SbTaO4 type compounds
Jeitschko, W.; Sleight, A. W.; Acta Crystallographica, Section B 30 (1974) 2088–2094; doi:10.1107/S0567740874006534

data_9007595
_publ_section_title
;
 Alpha stannous tungstate: Properties, crystal structure and relationship to
 ferroelectric SbTaO4 type compounds
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2088
_journal_page_last               2094
_journal_paper_doi               10.1107/S0567740874006534
_journal_volume                  30
_journal_year                    1974
_chemical_formula_structural     SbTaO4
_chemical_formula_sum            'O4 Sn W'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6270
_cell_length_b                   11.6486
_cell_length_c                   4.9973
_cell_formula_units_Z            4
_cell_volume                     327.556
_database_code_amcsd             0009511
_exptl_crystal_density_diffrn    7.433
_cod_original_formula_sum        'Sn W O4'
_cod_database_code               9007595
_amcsd_formula_title             SbTaO4
The crystal structure of kurnakovite: a refinement
Corazza, E.; Acta Crystallographica, Section B 30 (1974) 2194–2199; doi:10.1107/S0567740874006728

data_9007596
_publ_section_title
;
 The crystal structure of kurnakovite: a refinement
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2194
_journal_page_last               2199
_journal_paper_doi               10.1107/S0567740874006728
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        'California, USA'
_chemical_formula_sum            'B3 H15 Mg O13'
_chemical_name_mineral           Kurnakovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.846
_cell_angle_beta                 108.981
_cell_angle_gamma                105.581
_cell_length_a                   8.3479
_cell_length_b                   10.6068
_cell_length_c                   6.4447
_cell_formula_units_Z            2
_cell_volume                     501.239
_database_code_amcsd             0009513
_exptl_crystal_density_diffrn    1.854
_cod_original_formula_sum        'Mg B3 O13 H15'
_cod_database_code               9007596