LMucko/crystallography-open-database huggingface dataset:
Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-E, T = 24 deg C, after heating
Wechsler, B. A.; American Mineralogist 62 (1977) 913–920; doi:

data_9000582
_publ_section_title
;
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, after heating
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               920
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe0.499 Mg0.499 O5 Ti2'
_chemical_name_mineral           Armalcolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7697
_cell_length_b                   10.0410
_cell_length_c                   3.7473
_cell_formula_units_Z            4
_cell_volume                     367.601
_database_code_amcsd             0000593
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.898
_cod_original_formula_sum        'Fe.499 Mg.499 Ti2 O5'
_cod_database_code               9000582
Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-C, T = 400 deg C
Wechsler, B. A.; American Mineralogist 62 (1977) 913–920; doi:

data_9000583
_publ_section_title
;
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-C, T = 400 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               920
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe0.5 Mg0.5 O5 Ti2'
_chemical_name_mineral           Armalcolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7655
_cell_length_b                   10.0762
_cell_length_c                   3.7429
_cell_formula_units_Z            4
_cell_volume                     368.298
_database_code_amcsd             0000594
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.892
_cod_original_formula_sum        '(Fe.5 Mg.5) Ti2 O5'
_cod_database_code               9000583
A high-temperature study of the thermal expansion and the anisotropy of the sodium atom in low albite T = 500 deg C Note: this sample of feldspar is from Tiburon, Marin County, California, USA
Winter, J. K.; Ghose, S.; Okamura, F. P.; American Mineralogist 62 (1977) 921–931; doi:

data_9000584
_publ_section_title
;
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 500 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              921
_journal_page_last               931
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94
_cell_angle_beta                 116.4
_cell_angle_gamma                87.7
_cell_formula_units_Z            4
_cell_length_a                   8.206
_cell_length_b                   12.817
_cell_length_c                   7.169
_cell_volume                     673.694
_database_code_amcsd             0000595
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    2.585
_cod_original_formula_sum        'Na Al Si3 O8'
_cod_database_code               9000584
A high-temperature study of the thermal expansion and the anisotropy of the sodium atom in low albite T = 750 deg C Note: this sample of feldspar is from Tiburon, Marin County, California, USA
Winter, J. K.; Ghose, S.; Okamura, F. P.; American Mineralogist 62 (1977) 921–931; doi:

data_9000585
_publ_section_title
;
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 750 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              921
_journal_page_last               931
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.7
_cell_angle_beta                 116.3
_cell_angle_gamma                87.6
_cell_formula_units_Z            4
_cell_length_a                   8.242
_cell_length_b                   12.841
_cell_length_c                   7.176
_cell_volume                     679.366
_database_code_amcsd             0000596
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    2.564
_cod_original_cell_volume        679.365
_cod_original_formula_sum        'Na Al Si3 O8'
_cod_database_code               9000585
A high-temperature study of the thermal expansion and the anisotropy of the sodium atom in low albite T = 970 deg C Note: this sample of feldspar is from Tiburon, Marin County, California, USA
Winter, J. K.; Ghose, S.; Okamura, F. P.; American Mineralogist 62 (1977) 921–931; doi:

data_9000586
_publ_section_title
;
 A high-temperature study of the thermal expansion and the anisotropy of the
 sodium atom in low albite
 T = 970 deg C
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              921
_journal_page_last               931
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.3
_cell_angle_beta                 116.2
_cell_angle_gamma                87.6
_cell_formula_units_Z            4
_cell_length_a                   8.277
_cell_length_b                   12.860
_cell_length_c                   7.181
_cell_volume                     684.577
_database_code_amcsd             0000597
_diffrn_ambient_temperature      1243.15
_exptl_crystal_density_diffrn    2.544
_cod_original_formula_sum        'Na Al Si3 O8'
_cod_database_code               9000586
Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions
Ghose, S.; Wan, C.; American Mineralogist 62 (1977) 979–989; doi:

data_9000587
_publ_section_title
;
 Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of
 hexaborate polyanions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              979
_journal_page_last               989
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'B12 H16 Mg Na2 O28'
_chemical_name_mineral           Aristarainite
_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                 97.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.886
_cell_length_b                   7.521
_cell_length_c                   7.815
_cell_volume                     1099.994
_database_code_amcsd             0000598
_exptl_crystal_density_diffrn    2.005
_cod_original_formula_sum        'Mg Na2 B12 O28 H16'
_cod_database_code               9000587
The crystal structure of deerite Note: sample is from a riebeckite-deerite-garnet schist near Panoche, San Benito County, California, USA
Fleet, M. E.; American Mineralogist 62 (1977) 990–998; doi:

data_9000588
_publ_section_title
;
 The crystal structure of deerite
 Note: sample is from a riebeckite-deerite-garnet schist
 near Panoche, San Benito County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              990
_journal_page_last               998
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe9 H5 O25 Si6'
_chemical_name_mineral           Deerite
_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                 107.45
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.786
_cell_length_b                   18.880
_cell_length_c                   9.564
_cell_volume                     1857.979
_database_code_amcsd             0000599
_exptl_crystal_density_diffrn    3.847
_cod_original_formula_sum        'Fe9 Si6 O25 H5'
_cod_database_code               9000588
Refinement of the crystal structure of pseudomalachite
Shoemaker, G. L.; Anderson, J. B.; Kostiner, E.; American Mineralogist 62 (1977) 1042–1048; doi:

data_9000589
_publ_section_title
;
 Refinement of the crystal structure of pseudomalachite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1048
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Cu5 H4 O12 P2'
_chemical_name_mineral           Pseudomalachite
_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                 91.043
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4728
_cell_length_b                   5.7469
_cell_length_c                   17.032
_cell_volume                     437.730
_database_code_amcsd             0000600
_exptl_crystal_density_diffrn    4.368
_cod_original_formula_sum        'Cu5 P2 O12 H4'
_cod_database_code               9000589
The crystal structure of tuscanite Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy
Mellini, M.; Merlino, S.; Rossi, G.; American Mineralogist 62 (1977) 1114–1120; doi:

data_9000590
_publ_section_title
;
 The crystal structure of tuscanite
 Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1120
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Al1.85 Ca2.89 K0.51 O15 S0.95 Si3.15'
_chemical_name_mineral           Tuscanite
_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                 106.94
_cell_angle_gamma                90
_cell_length_a                   24.03
_cell_length_b                   5.11
_cell_length_c                   10.88
_cell_formula_units_Z            4
_cell_volume                     1278.023
_database_code_amcsd             0000601
_exptl_crystal_density_diffrn    2.830
_cod_original_formula_sum        'K.51 Ca2.89 (Si3.15 Al1.85) S.95 O15'
_cod_database_code               9000590
Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral double chain
Ghose, S.; Boving, P.; LaChapelle, W. A.; Wan, C.; American Mineralogist 62 (1977) 1129–1134; doi:

data_9000591
_publ_section_title
;
 Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral
 double chain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1129
_journal_page_last               1134
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'As2 O6 Zn3'
_chemical_name_mineral           Reinerite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.092
_cell_length_b                   14.407
_cell_length_c                   7.811
_cell_formula_units_Z            4
_cell_volume                     685.552
_database_code_amcsd             0000602
_exptl_crystal_density_diffrn    4.283
_cod_original_cell_volume        685.551
_cod_original_formula_sum        'Zn3 As2 O6'
_cod_database_code               9000591
Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex
Wan, C.; Ghose, S.; American Mineralogist 62 (1977) 1135–1143; doi:

data_9000592
_publ_section_title
;
 Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1135
_journal_page_last               1143
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'B4 H18 Mg O16'
_chemical_name_mineral           Hungchaoite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.39
_cell_angle_beta                 108.53
_cell_angle_gamma                97.18
_cell_formula_units_Z            2
_cell_length_a                   8.807
_cell_length_b                   10.657
_cell_length_c                   7.897
_cell_volume                     667.622
_database_code_amcsd             0000603
_exptl_crystal_density_diffrn    1.700
_cod_original_formula_sum        'Mg B4 O16 H18'
_cod_database_code               9000592
The refinement of zinnwaldite-1M in subgroup symmetry Note: the sample is from the Sadisdorf Mine dump, East Germany
Guggenheim, S.; Bailey, S. W.; American Mineralogist 62 (1977) 1158–1167; doi:

data_9000593
_publ_section_title
;
 The refinement of zinnwaldite-1M in subgroup symmetry
 Note: the sample is from the Sadisdorf Mine dump, East Germany
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1158
_journal_page_last               1167
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum
'Al1.908 F2 Fe0.93 K0.9 Li0.67 Mg0.01 Mn0.05 Na0.05 O10 Si3.092 Ti0.01'
_chemical_name_mineral           Zinnwaldite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.296
_cell_length_b                   9.140
_cell_length_c                   10.096
_cell_volume                     479.997
_database_code_amcsd             0000604
_exptl_crystal_density_diffrn    2.994
_cod_original_formula_sum
'K.9 Na.05 Al1.908 Fe.93 Ti.01 Mn.05 Li.67 Mg.01 Si3.092 O10 F2'
_cod_database_code               9000593
Crystal structure refinement of a weakly anisotropic pyrite cubic model
Bayliss, P.; American Mineralogist 62 (1977) 1168–1172; doi:

data_9000594
_publ_section_title
;
 Crystal structure refinement of a weakly anisotropic pyrite
 cubic model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1168
_journal_page_last               1172
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe S2'
_chemical_name_mineral           Pyrite
_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_formula_units_Z            4
_cell_length_a                   5.4166
_cell_length_b                   5.4166
_cell_length_c                   5.4166
_cell_volume                     158.921
_database_code_amcsd             0000605
_exptl_crystal_density_diffrn    5.015
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9000594
Crystal structure refinement of a weakly anisotropic pyrite
Bayliss, P.; American Mineralogist 62 (1977) 1168–1172; doi:

data_9000595
_publ_section_title
;
 Crystal structure refinement of a weakly anisotropic pyrite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1168
_journal_page_last               1172
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe S2'
_chemical_name_mineral           Pyrite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4166
_cell_length_b                   5.4166
_cell_length_c                   5.4166
_cell_formula_units_Z            4
_cell_volume                     158.921
_database_code_amcsd             0000606
_exptl_crystal_density_diffrn    5.015
_cod_database_code               9000595
Structural variation in the ferrobustamite solid solution Wo82Fs18
Yamanaka, T.; Sadanaga, R.; Takeuchi, Y.; American Mineralogist 62 (1977) 1216–1224; doi:

data_9000596
_publ_section_title
;
 Structural variation in the ferrobustamite solid solution
 Wo82Fs18
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1216
_journal_page_last               1224
_journal_volume                  62
_journal_year                    1977
_chemical_compound_source        'Ofuku mine, Yamaguchi Prefecture, Japan'
_chemical_formula_sum            'Ca0.822 Fe0.178 O3 Si'
_chemical_name_mineral           Ferrobustamite
_space_group_IT_number           2
_space_group_name_Hall           '-A 1'
_space_group_name_H-M_alt        'A -1'
_symmetry_space_group_name_Hall  '-A 1'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                89.733
_cell_angle_beta                 95.467
_cell_angle_gamma                103.483
_cell_length_a                   7.862
_cell_length_b                   7.253
_cell_length_c                   13.967
_cell_formula_units_Z            12
_cell_volume                     770.85
_exptl_crystal_density_diffrn    3.072
_cod_original_sg_symbol_Hall     '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_cod_original_formula_sum        '(Ca.822 Fe.178) Si O3'
_cod_database_code               9000596
_database_code_amcsd             0000607
The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene
Smyth, J. R.; Ito, J.; American Mineralogist 62 (1977) 1252–1257; doi:

data_9000597
_publ_section_title
;
 The synthesis and crystal structure of a magnesium-lithium-scandium
 protopyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1252
_journal_page_last               1257
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Li0.3 Mg1.4 O6 Sc0.3 Si2'
_chemical_name_mineral           Pyroxene
_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                   9.251
_cell_length_b                   8.773
_cell_length_c                   5.377
_cell_formula_units_Z            4
_cell_volume                     436.392
_database_code_amcsd             0000608
_exptl_crystal_density_diffrn    3.071
_cod_original_formula_sum        '(Mg1.4 Sc.3) Li.3 Si2 O6'
_cod_database_code               9000597
The crystal structure of loveringite - a new member of the crichtonite group
Gatehouse, B. M.; Grey, I. E.; Campbell, I. H.; Kelly, P. R.; American Mineralogist 63 (1978) 28–36; doi:

data_9000598
_publ_section_title
;
 The crystal structure of loveringite - a new member of the crichtonite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              28
_journal_page_last               36
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum
'Al0.384 Ca0.72 Cr2.238 Fe3.43 La0.33 Mg0.92 O38 Ti12.474 U0.05 V0.21 Zr0.58'
_chemical_name_mineral           Loveringite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                69.07
_cell_angle_beta                 69.07
_cell_angle_gamma                69.07
_cell_length_a                   9.117
_cell_length_b                   9.117
_cell_length_c                   9.117
_cell_formula_units_Z            1
_cell_volume                     637.788
_database_code_amcsd             0000609
_exptl_crystal_density_diffrn    4.416
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'Ca.72 La.33 U.05 Zr.58 Mg.92 Fe3.43 Cr2.238 V.21 Ti12.474 Al.384 O38'
_cod_database_code               9000598
Hematolite: A complex dense-packed sheet structure
Moore, P. B.; Araki, T.; American Mineralogist 63 (1978) 150–159; doi:

data_9000599
_publ_section_title
;
 Hematolite: A complex dense-packed sheet structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              150
_journal_page_last               159
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al4.42 As3 Fe0.42 H23 Mn10.16 O34'
_chemical_name_mineral           Hematolite
_space_group_IT_number           146
_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_formula_units_Z            3
_cell_length_a                   8.275
_cell_length_b                   8.275
_cell_length_c                   36.600
_cell_volume                     2170.440
_database_code_amcsd             0000610
_exptl_crystal_density_diffrn    3.426
_cod_original_cell_volume        2170.439
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Mn10.16 Al4.42 Fe.42 As3 O34 H23'
_cod_database_code               9000599
Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion configuration, hydrogen bonding, and fiber optics
Ghose, S.; Wan, C.; Clark, J. R.; American Mineralogist 63 (1978) 160–171; doi:

data_9000600
_publ_section_title
;
 Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion
 configuration, hydrogen bonding, and fiber optics
;
_journal_name_full               'American Mineralogist'
_journal_page_first              160
_journal_page_last               171
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'B5 Ca H16 Na O17'
_chemical_name_mineral           Ulexite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.36
_cell_angle_beta                 109.05
_cell_angle_gamma                104.98
_cell_formula_units_Z            2
_cell_length_a                   8.816
_cell_length_b                   12.870
_cell_length_c                   6.678
_cell_volume                     688.445
_database_code_amcsd             0000611
_exptl_crystal_density_diffrn    1.955
_cod_original_formula_sum        'Ca Na B5 O17 H16'
_cod_database_code               9000600