LMucko/crystallography-open-database huggingface dataset:
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P1C
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017302
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample P1C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al0.95 K0.94 Na0.06 O8 Si3.05'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.35
_cell_angle_beta                 116.03
_cell_angle_gamma                88.8
_cell_length_a                   8.574
_cell_length_b                   12.962
_cell_length_c                   7.210
_cell_formula_units_Z            4
_cell_volume                     719.850
_database_code_amcsd             0020537
_exptl_crystal_density_diffrn    2.560
_cod_data_source_file            inputs/fixed/downloads/11/11140.cif
_cod_data_source_block           11140
_cod_original_formula_sum        '(K.94 Na.06) (Al.95 Si3.05) O8'
_cod_database_code               9017302
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample RC20C
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017303
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample RC20C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al0.99 K0.92 Na0.08 O8 Si3.01'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.43
_cell_angle_beta                 116.
_cell_angle_gamma                88.48
_cell_length_a                   8.567
_cell_length_b                   12.970
_cell_length_c                   7.221
_cell_formula_units_Z            4
_cell_volume                     720.890
_database_code_amcsd             0020538
_exptl_crystal_density_diffrn    2.553
_cod_data_source_file            inputs/fixed/downloads/11/11141.cif
_cod_data_source_block           11141
_cod_original_formula_sum        '(K.92 Na.08) (Al.99 Si3.01) O8'
_cod_database_code               9017303
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1E
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017304
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample CA1E
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al1.01 K0.94 Na0.06 O8 Si2.99'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.56
_cell_angle_beta                 115.93
_cell_angle_gamma                87.92
_cell_length_a                   8.561
_cell_length_b                   12.972
_cell_length_c                   7.223
_cell_formula_units_Z            4
_cell_volume                     720.894
_database_code_amcsd             0020539
_exptl_crystal_density_diffrn    2.555
_cod_data_source_file            inputs/fixed/downloads/11/11142.cif
_cod_data_source_block           11142
_cod_original_formula_sum        '(K.94 Na.06) (Al1.01 Si2.99) O8'
_cod_database_code               9017304
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2B
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017305
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample P2B
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al1.01 K0.94 Na0.06 O8 Si2.99'
_chemical_name_mineral           Orthoclase
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90
_cell_angle_beta                 116.02
_cell_angle_gamma                90
_cell_length_a                   8.589
_cell_length_b                   13.013
_cell_length_c                   7.197
_cell_formula_units_Z            4
_cell_volume                     722.866
_database_code_amcsd             0020550
_exptl_crystal_density_diffrn    2.549
_cod_data_source_file            inputs/fixed/downloads/11/11143.cif
_cod_data_source_block           11143
_cod_original_sg_symbol_H-M      'C 1 -1 1'
_cod_original_formula_sum        '(K.94 Na.06) (Al1.01 Si2.99) O8'
_cod_database_code               9017305
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2A
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017306
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample P2A
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum
'Al0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03'
_chemical_name_mineral           Orthoclase
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90
_cell_angle_beta                 116.05
_cell_angle_gamma                90
_cell_length_a                   8.583
_cell_length_b                   12.988
_cell_formula_units_Z            4
_cell_length_c                   7.202
_cell_volume                     721.290
_database_code_amcsd             0020551
_exptl_crystal_density_diffrn    2.560
_cod_data_source_file            inputs/fixed/downloads/11/11144.cif
_cod_data_source_block           11144
_cod_original_sg_symbol_H-M      'C 1 -1 1'
_cod_original_formula_sum
'(K.931 Na.055 Ca.009 Ba.005) (Al.97 Si3.03) O8'
_cod_database_code               9017306
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1A
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017307
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample CA1A
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995'
_chemical_name_mineral           Orthoclase
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90
_cell_angle_beta                 115.93
_cell_angle_gamma                90
_cell_length_a                   8.563
_cell_length_b                   12.990
_cell_length_c                   7.210
_cell_formula_units_Z            4
_cell_volume                     721.255
_database_code_amcsd             0020552
_exptl_crystal_density_diffrn    2.557
_cod_data_source_file            inputs/fixed/downloads/11/11145.cif
_cod_data_source_block           11145
_cod_original_sg_symbol_H-M      'C 1 -1 1'
_cod_original_formula_sum        '(K.88 Na.1 Ca.01 Ba.01) (Al1.005 Si2.995) O8'
_cod_database_code               9017307
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 and S-OH vs O-H...O correlation
Catti, M.; Ferraris, G.; Ivaldi, G.; Acta Crystallographica, Section B 35 (1979) 525–529; doi:

data_9017308
_publ_section_title
;
 A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
 and S-OH vs O-H...O correlation
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              525
_journal_page_last               529
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H Na3 O8 S2'
_chemical_name_mineral           Ivsite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.77
_cell_angle_gamma                90
_cell_length_a                   8.648
_cell_length_b                   9.648
_cell_length_c                   9.143
_cell_formula_units_Z            4
_cell_volume                     722.284
_database_code_amcsd             0020234
_exptl_crystal_density_diffrn    2.410
_cod_data_source_file            inputs/fixed/downloads/11/11173.cif
_cod_data_source_block           11173
_cod_original_formula_sum        'Na3 S2 O8 H'
_cod_database_code               9017308
A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 and S-OH vs O-H...O correlation
Catti, M.; Ferraris, G.; Ivaldi, G.; Acta Crystallographica, Section B 35 (1979) 525–529; doi:

data_9017309
_publ_section_title
;
 A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2
 and S-OH vs O-H...O correlation
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              525
_journal_page_last               529
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H Na3 O8 S2'
_chemical_name_mineral           Ivsite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.77
_cell_angle_gamma                90
_cell_length_a                   8.648
_cell_length_b                   9.648
_cell_length_c                   9.143
_cell_formula_units_Z            4
_cell_volume                     722.284
_database_code_amcsd             0020240
_exptl_crystal_density_diffrn    2.410
_cod_data_source_file            inputs/fixed/downloads/11/11174.cif
_cod_data_source_block           11174
_cod_original_formula_sum        'Na3 H S2 O8'
_cod_database_code               9017309
_cod_duplicate_entry 9017308
The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O
Johansson, L. G.; Lindqvist, O.; Acta Crystallographica, Section B 35 (1979) 1017–1020; doi:

data_9017310
_publ_section_title
;
 The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1017
_journal_page_last               1020
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe H6 O6 S'
_chemical_name_mineral           Albertiniite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.604
_cell_length_b                   8.693
_cell_length_c                   8.714
_cell_volume                     497.472
_database_code_amcsd             0020987
_exptl_crystal_density_diffrn    2.536
_cod_data_source_file            inputs/fixed/downloads/11/11182.cif
_cod_data_source_block           11182
_cod_original_formula_sum        'Fe S O6 H6'
_cod_database_code               9017310
The structure of potassium tetrachlorozincate
Mikhail, I.; Peters, K.; Acta Crystallographica, Section B 35 (1979) 1200–1201; doi:

data_9017311
_publ_section_title
;
 The structure of potassium tetrachlorozincate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1200
_journal_page_last               1201
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl4 K2 Zn'
_chemical_name_mineral           Flinteite
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   26.778
_cell_length_b                   12.402
_cell_length_c                   7.256
_cell_formula_units_Z            12
_cell_volume                     2409.723
_database_code_amcsd             0020735
_exptl_crystal_density_diffrn    2.360
_cod_data_source_file            inputs/fixed/downloads/11/11186.cif
_cod_data_source_block           11186
_cod_original_formula_sum        'K2 Zn Cl4'
_cod_database_code               9017311
Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements
Kirfel, A.; Will, G.; Acta Crystallographica, Section B 36 (1980) 2881–2890; doi:

data_9017312
_publ_section_title
;
 Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction
 measurements
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2881
_journal_page_last               2890
_journal_volume                  36
_journal_year                    1980
_chemical_compound_source        'Stassfurt, Germany'
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           Anhydrite
_space_group_IT_number           63
_space_group_name_Hall           '-A 2a 2a'
_space_group_name_H-M_alt        'A m m a'
_symmetry_space_group_name_H-M   'A m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.006
_cell_length_b                   6.998
_cell_length_c                   6.245
_cell_formula_units_Z            4
_cell_volume                     306.180
_database_code_amcsd             0020854
_exptl_crystal_density_diffrn    2.953
_cod_data_source_file            inputs/fixed/downloads/11/11254.cif
_cod_data_source_block           11254
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9017312
Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O
Pedersen, B. F.; Semmingsen, D.; Acta Crystallographica, Section B 38 (1982) 1074–1077; doi:

data_9017313
_publ_section_title
;
 Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1074
_journal_page_last               1077
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        'Hampshire, England'
_chemical_formula_sum            'Ca H4 O6 S'
_chemical_name_mineral           Gypsum
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.679
_cell_length_b                   15.202
_cell_length_c                   6.522
_cell_volume                     495.153
_database_code_amcsd             0020895
_exptl_crystal_density_diffrn    2.310
_cod_data_source_file            inputs/fixed/downloads/11/11298.cif
_cod_data_source_block           11298
_cod_original_sg_symbol_H-M      'I 1 2/a 1'
_cod_original_formula_sum        'Ca S O6 H4'
_cod_database_code               9017313
Diffraction study of the electron density distribution in beryllium metal
Larsen, F. K.; Hansen, N. K.; Acta Crystallographica, Section B 40 (1984) 169–179; doi:

data_9017314
_publ_section_title
;
 Diffraction study of the electron density distribution in beryllium metal
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              169
_journal_page_last               179
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            Be
_chemical_name_mineral           Beryllium
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.2853
_cell_length_b                   2.2853
_cell_length_c                   3.5842
_cell_formula_units_Z            2
_cell_volume                     16.211
_database_code_amcsd             0020596
_exptl_crystal_density_diffrn    1.846
_cod_data_source_file            inputs/fixed/downloads/11/11349.cif
_cod_data_source_block           11349
_cod_database_code               9017314
Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms
Abbona, F.; Calleri, M.; Ivaldi, G.; Acta Crystallographica, Section B 40 (1984) 223–227; doi:

data_9017315
_publ_section_title
;
 Synthetic struvite MgNH4PO4*6H2O: Correct polarity
 and surface features of some complementary forms
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              223
_journal_page_last               227
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H16 Mg N O10 P'
_chemical_name_mineral           Struvite
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_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                   6.955
_cell_length_b                   6.142
_cell_length_c                   11.218
_cell_volume                     479.206
_database_code_amcsd             0019944
_exptl_crystal_density_diffrn    1.701
_cod_data_source_file            inputs/fixed/downloads/11/11352.cif
_cod_data_source_block           11352
_cod_original_formula_sum        'Mg N H16 P O10'
_cod_database_code               9017315
The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K
Swaminathan, S.; Craven, B. M.; Acta Crystallographica, Section B 40 (1984) 300–306; doi:

data_9017316
_publ_section_title
;
 The crystal structure and molecular thermal motion of urea
 at 12, 60 and 123 K from neutron diffraction
 Note: neutron data, T = 123 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              300
_journal_page_last               306
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_space_group_IT_number           113
_space_group_name_Hall           'P -4 2ab'
_space_group_name_H-M_alt        'P -4 21 m'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.584
_cell_length_b                   5.584
_cell_length_c                   4.689
_cell_formula_units_Z            2
_cell_volume                     146.208
_database_code_amcsd             0020672
_diffrn_ambient_temperature      123
_exptl_crystal_density_diffrn    1.364
_cod_data_source_file            inputs/fixed/downloads/11/11353.cif
_cod_data_source_block           11353
_cod_database_code               9017316
The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K
Swaminathan, S.; Craven, B. M.; Acta Crystallographica, Section B 40 (1984) 300–306; doi:

data_9017317
_publ_section_title
;
 The crystal structure and molecular thermal motion of urea
 at 12, 60 and 123 K from neutron diffraction
 Note: neutron data, T = 60 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              300
_journal_page_last               306
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_space_group_IT_number           113
_space_group_name_Hall           'P -4 2ab'
_space_group_name_H-M_alt        'P -4 21 m'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.570
_cell_length_b                   5.570
_cell_length_c                   4.688
_cell_formula_units_Z            2
_cell_volume                     145.445
_database_code_amcsd             0020673
_diffrn_ambient_temperature      60
_exptl_crystal_density_diffrn    1.371
_cod_data_source_file            inputs/fixed/downloads/11/11354.cif
_cod_data_source_block           11354
_cod_database_code               9017317