LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
Moore, P. B.; American Mineralogist 52 (1967) 1603–1613; doi:

data_9000157
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals 1. The crystal
 structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1603
_journal_page_last               1613
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'As H4 Mn2 O8 Y'
_chemical_name_mineral           Retzian
_space_group_IT_number           50
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.67
_cell_length_b                   12.03
_cell_length_c                   4.863
_cell_volume                     331.706
_database_code_amcsd             0000161
_exptl_crystal_density_diffrn    4.062
_cod_original_sg_symbol_H-M      'P b a n'
_cod_original_formula_sum        'Y As Mn2 O8 H4'
_cod_database_code               9000157
Chlorite polytypism: IV. Regular two-layer structures refined structure
Lister, J. S.; Bailey, S. W.; American Mineralogist 52 (1967) 1614–1631; doi:

data_9000158
_publ_section_title
;
 Chlorite polytypism: IV. Regular two-layer structures
 refined structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1614
_journal_page_last               1631
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'H4 Mg3 O9 Si2'
_chemical_name_mineral           Chlorite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.335
_cell_length_b                   9.240
_cell_length_c                   28.735
_cell_volume                     1416.503
_database_code_amcsd             0000162
_exptl_crystal_density_diffrn    2.599
_cod_original_formula_sum        'Mg3 Si2 O9 H4'
_cod_database_code               9000158
A refinement of the structure of barite from Cow Green mine
Colville, A. A.; Staudhammer, K.; American Mineralogist 52 (1967) 1877–1880; doi:

data_9000159
_publ_section_title
;
 A refinement of the structure of barite
 from Cow Green mine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1877
_journal_page_last               1880
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Barite
_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                   8.884
_cell_length_b                   5.458
_cell_length_c                   7.153
_cell_formula_units_Z            4
_cell_volume                     346.841
_database_code_amcsd             0000163
_exptl_crystal_density_diffrn    4.470
_cod_original_formula_sum        'Ba S O4'
_cod_database_code               9000159
_cod_duplicate_entry 1000037
The crystal structure of walstromite
Dent Glasser, L. S.; Glasser, F. P.; American Mineralogist 53 (1968) 9–13; doi:

data_9000160
_publ_section_title
;
 The crystal structure of walstromite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              9
_journal_page_last               13
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ba Ca2 O9 Si3'
_chemical_name_mineral           Walstromite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.62
_cell_angle_beta                 102.33
_cell_angle_gamma                96.90
_cell_length_a                   6.733
_cell_length_b                   9.616
_cell_length_c                   6.723
_cell_formula_units_Z            2
_cell_volume                     398.121
_database_code_amcsd             0000165
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Ca2 Ba Si3 O9'
_cod_database_code               9000160
The crystal structure of an adularia and a refinement of the structure of orthoclase Note: Spencer B, variety adularia
Colville, A. A.; Ribbe, P. H.; American Mineralogist 53 (1968) 25–37; doi:

data_9000161
_publ_section_title
;
 The crystal structure of an adularia and a refinement of the structure of
 orthoclase
 Note: Spencer B, variety adularia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              25
_journal_page_last               37
_journal_volume                  53
_journal_year                    1968
_chemical_compound_source
'St. Gotthard, Switzerland, known as Spencer B, variety adularia'
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Orthoclase
_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                 116.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.554
_cell_length_b                   12.970
_cell_length_c                   7.207
_cell_volume                     718.600
_database_code_amcsd             0000166
_exptl_crystal_density_diffrn    2.573
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9000161
The crystal structure of an adularia and a refinement of the structure of orthoclase Spencer C
Colville, A. A.; Ribbe, P. H.; American Mineralogist 53 (1968) 25–37; doi:

data_9000162
_publ_section_title
;
 The crystal structure of an adularia and a refinement of the structure of
 orthoclase
 Spencer C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              25
_journal_page_last               37
_journal_volume                  53
_journal_year                    1968
_chemical_compound_source        'St. Gotthard, Switzerland, known as Spencer C'
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Orthoclase
_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                 116.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.561
_cell_length_b                   12.996
_cell_length_c                   7.192
_cell_volume                     719.129
_database_code_amcsd             0000167
_exptl_crystal_density_diffrn    2.571
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9000162
The crystal structure of disordered gersdorffite
Bayliss, P.; American Mineralogist 53 (1968) 290–293; doi:

data_9000163
_publ_section_title
;
 The crystal structure of disordered gersdorffite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              290
_journal_page_last               293
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'As1.23 Ni S0.77'
_chemical_name_mineral           Gersdorffite-Pa3
_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                   5.7053
_cell_length_b                   5.7053
_cell_length_c                   5.7053
_cell_formula_units_Z            4
_cell_volume                     185.710
_database_code_amcsd             0000168
_exptl_crystal_density_diffrn    6.278
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Ni (As1.23 S.77)'
_cod_database_code               9000163
Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite
Moore, P. B.; American Mineralogist 53 (1968) 733–741; doi:

data_9000164
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals: II. The crystal
 structure of allactite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              733
_journal_page_last               741
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'As2 H8 Mn7 O16'
_chemical_name_mineral           Allactite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.07
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.03
_cell_length_b                   12.12
_cell_length_c                   5.51
_cell_volume                     672.548
_database_code_amcsd             0000169
_exptl_crystal_density_diffrn    3.943
_cod_original_formula_sum        'Mn7 As2 (O16 H8)'
_cod_database_code               9000164
The crystal structure of graftonite
Calvo, C.; American Mineralogist 53 (1968) 742–750; doi:

data_9000165
_publ_section_title
;
 The crystal structure of graftonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              742
_journal_page_last               750
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ca Fe1.38 Mn0.62 O8 P2'
_chemical_name_mineral           Graftonite
_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                 98.9
_cell_angle_gamma                90
_cell_length_a                   8.91
_cell_length_b                   11.58
_cell_length_c                   6.239
_cell_formula_units_Z            4
_cell_volume                     635.976
_database_code_amcsd             0000170
_exptl_crystal_density_diffrn    3.563
_cod_original_formula_sum        'Ca (Fe1.38 Mn.62) P2 O8'
_cod_database_code               9000165
Crystal structures of natural olivines
Birle, J. D.; Gibbs, G. V.; Moore, P. B.; Smith, J. V.; American Mineralogist 53 (1968) 807–824; doi:

data_9000166
_publ_section_title
;
 Crystal structures of natural olivines
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               824
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.762
_cell_length_b                   10.225
_cell_length_c                   5.994
_cell_formula_units_Z            4
_cell_volume                     291.857
_database_code_amcsd             0000171
_exptl_crystal_density_diffrn    3.346
_cod_original_formula_sum        '(Mg1.8 Fe.2) Si O4'
_cod_database_code               9000166
Crystal structures of natural olivines Note: variety hyalosiderite
Birle, J. D.; Gibbs, G. V.; Moore, P. B.; Smith, J. V.; American Mineralogist 53 (1968) 807–824; doi:

data_9000167
_publ_section_title
;
 Crystal structures of natural olivines
 Note: variety hyalosiderite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               824
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ca0.004 Fe0.912 Mg1.07 Mn0.012 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.785
_cell_length_b                   10.325
_cell_length_c                   6.038
_cell_formula_units_Z            4
_cell_volume                     298.308
_database_code_amcsd             0000172
_exptl_crystal_density_diffrn    3.782
_cod_original_formula_sum        'Mg1.07 Fe.912 Mn.012 Ca.004 Si O4'
_cod_database_code               9000167
Crystal structures of natural olivines
Birle, J. D.; Gibbs, G. V.; Moore, P. B.; Smith, J. V.; American Mineralogist 53 (1968) 807–824; doi:

data_9000168
_publ_section_title
;
 Crystal structures of natural olivines
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               824
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ca0.004 Fe1.844 Mg0.078 Mn0.074 O4 Si'
_chemical_name_mineral           Fayalite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.816
_cell_length_b                   10.469
_cell_length_c                   6.099
_cell_formula_units_Z            4
_cell_volume                     307.504
_database_code_amcsd             0000173
_exptl_crystal_density_diffrn    4.346
_cod_original_formula_sum        '(Fe1.844 Mg.078 Mn.074 Ca.004) Si O4'
_cod_database_code               9000168
Crystal structures of natural olivines Note: variety hortonolite
Birle, J. D.; Gibbs, G. V.; Moore, P. B.; Smith, J. V.; American Mineralogist 53 (1968) 807–824; doi:

data_9000169
_publ_section_title
;
 Crystal structures of natural olivines
 Note: variety hortonolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               824
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Ca0.02 Fe0.98 Mg0.98 Mn0.02 O4 Si'
_chemical_name_mineral           Fayalite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.787
_cell_length_b                   10.341
_cell_length_c                   6.044
_cell_formula_units_Z            4
_cell_volume                     299.192
_database_code_amcsd             0000174
_exptl_crystal_density_diffrn    3.830
_cod_original_formula_sum        '(Mg.98 Fe.98 Mn.02 Ca.02) Si O4'
_cod_database_code               9000169
Crystal-chemical characterization of omphacites
Clark, J. R.; Papike, J. J.; American Mineralogist 53 (1968) 840–868; doi:

data_9000170
_publ_section_title
;
 Crystal-chemical characterization of omphacites
;
_journal_name_full               'American Mineralogist'
_journal_page_first              840
_journal_page_last               868
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum
'Al0.885 Ca1.165 Fe0.31 Mg0.805 Na0.835 O12 Si4'
_chemical_name_mineral           Omphacite
_space_group_IT_number           3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.93
_cell_angle_gamma                90
_cell_length_a                   9.596
_cell_length_b                   8.771
_cell_length_c                   5.265
_cell_formula_units_Z            2
_cell_volume                     423.932
_database_code_amcsd             0000175
_exptl_crystal_density_diffrn    3.376
_cod_original_formula_sum
'Si4 Mg.805 Fe.31 Al.885 (Na.835 Ca1.165) O12'
_cod_database_code               9000170
The crystal structure and the chemical composition of vauxite
Baur, W. H.; Rama Rao, B.; American Mineralogist 53 (1968) 1025–1033; doi:

data_9000171
_publ_section_title
;
 The crystal structure and the chemical composition of vauxite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1025
_journal_page_last               1033
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Al2 Fe H14 O16 P2'
_chemical_name_mineral           Vauxite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.3
_cell_angle_beta                 92.0
_cell_angle_gamma                108.4
_cell_formula_units_Z            2
_cell_length_a                   9.13
_cell_length_b                   11.59
_cell_length_c                   6.14
_cell_volume                     607.797
_database_code_amcsd             0000176
_exptl_crystal_density_diffrn    2.414
_cod_original_formula_sum        'Fe Al2 P2 O16 H14'
_cod_database_code               9000171
The crystal structure of augelite
Araki, T.; Finney, J. J.; Zoltai, T.; American Mineralogist 53 (1968) 1096–1103; doi:

data_9000172
_publ_section_title
;
 The crystal structure of augelite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1096
_journal_page_last               1103
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Al2 H3 O7 P'
_chemical_name_mineral           Augelite
_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                 112.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.124
_cell_length_b                   7.988
_cell_length_c                   5.066
_cell_volume                     491.547
_database_code_amcsd             0000177
_exptl_crystal_density_diffrn    2.702
_cod_original_formula_sum        'Al2 P O7 H3'
_cod_database_code               9000172
Substitutions of the type (Sb0.5Fe0.5)-(Ti): The crystal structure of melanostibite
Moore, P. B.; American Mineralogist 53 (1968) 1104–1109; doi:

data_9000173
_publ_section_title
;
 Substitutions of the type (Sb0.5Fe0.5)-(Ti): The crystal structure of
 melanostibite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1104
_journal_page_last               1109
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Fe0.5 Mn O3 Sb0.5'
_chemical_name_mineral           Melanostibite
_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                   5.226
_cell_length_b                   5.226
_cell_length_c                   14.325
_cell_formula_units_Z            6
_cell_volume                     338.816
_database_code_amcsd             0000178
_exptl_crystal_density_diffrn    5.638
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mn (Fe.5 Sb.5) O3'
_cod_database_code               9000173
The crystal structure of chlorophoenicite
Moore, P. B.; American Mineralogist 53 (1968) 1110–1119; doi:

data_9000174
_publ_section_title
;
 The crystal structure of chlorophoenicite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1110
_journal_page_last               1119
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'As Ca0.3 H8 Mg0.09 Mn2.61 O12 Zn2'
_chemical_name_mineral           Chlorophoenicite
_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                 106.0
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.98
_cell_length_b                   3.32
_cell_length_c                   7.32
_cell_volume                     536.835
_database_code_amcsd             0000179
_exptl_crystal_density_diffrn    3.485
_cod_original_formula_sum        '(Mn2.61 Ca.3 Mg.09) Zn2 As (O12 H8)'
_cod_database_code               9000174
Determination and refinement of the structure of heulandite
Merkle, A. B.; Slaughter, M.; American Mineralogist 53 (1968) 1120–1138; doi:

data_9000175
_publ_section_title
;
 Determination and refinement of the structure of heulandite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1120
_journal_page_last               1138
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum            'Al4.8 Ca1.2 H28 O45.55 Si13.2'
_chemical_name_mineral           Heulandite-Ca
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.73
_cell_length_b                   17.82
_cell_length_c                   7.43
_cell_volume                     2103.955
_database_code_amcsd             0000180
_exptl_crystal_density_diffrn    2.060
_cod_original_formula_sum        'Ca1.2 Si13.2 Al4.8 O45.55 H28'
_cod_database_code               9000175
The crystal structure of staurolite
Smith, J. V.; American Mineralogist 53 (1968) 1139–1155; doi:

data_9000176
_publ_section_title
;
 The crystal structure of staurolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1139
_journal_page_last               1155
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum
'Al4.374 Fe0.741 Mg0.196 Mn0.019 O12 Si1.856 Ti0.037'
_chemical_name_mineral           Staurolite
_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                 90.0
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8713
_cell_length_b                   16.6204
_cell_length_c                   5.6560
_cell_volume                     739.941
_database_code_amcsd             0000181
_exptl_crystal_density_diffrn    3.690
_cod_original_formula_sum
'Fe.741 Al4.374 Ti.037 Si1.856 Mg.196 Mn.019 O12'
_cod_database_code               9000176