LMucko/crystallography-open-database huggingface dataset:
The atomic arrangemetn of the ganophyllite-group modulated layer silicates as determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A ganophyllite-group superstructure revealed Note: signs of the y-coordinates for O24 and O25 have been changed
Hughes, J. M.; Rakovan, J. F.; Bracco, R.; Gunter, M. E.; American Mineralogist 88 (2003) 1324–1330; doi:

data_9003065
_publ_section_title
;The atomic arrangemetn of the ganophyllite-group modulated layer silicates as
 determined from the orthorhombic dimorph of tamaite, with the elusive 16.8 A
 ganophyllite-group superstructure revealed Note: signs of the y-coordinates
 for O24 and O25 have been changed
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1324
_journal_page_last               1330
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca H18 K Mn12 O61 Si20'
_chemical_name_mineral           Tamaite
_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_formula_units_Z            4
_cell_length_a                   16.8146
_cell_length_b                   25.2036
_cell_length_c                   13.3866
_cell_volume                     5673.086
_database_code_amcsd             0003154
_exptl_crystal_density_diffrn    2.686
_cod_original_formula_sum        'Mn12 Si20 O61 H18 Ca K'
_cod_database_code               9003065
The crystal structure of chromian kassite from the Saranovskoye deposit, Northern Urals, Russia
Grey, I. E.; Mumme, W. G.; Pekov, I. V.; Pushcharovsky, D. Y.; American Mineralogist 88 (2003) 1331–1335; doi:

data_9003066
_publ_section_title
;
 The crystal structure of chromian kassite from the Saranovskoye deposit,
 Northern Urals, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1331
_journal_page_last               1335
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Ca O6 Ti2'
_chemical_name_mineral           Kassite
_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                 90.43
_cell_angle_gamma                90
_cell_length_a                   5.275
_cell_length_b                   9.009
_cell_length_c                   9.557
_cell_formula_units_Z            4
_cell_volume                     454.160
_database_code_amcsd             0003155
_exptl_crystal_density_diffrn    3.391
_cod_original_formula_sum        'Ca Ti2 O6'
_cod_database_code               9003066
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample BT from Eibenstein an der Thaya, Lower Austria
Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A.; American Mineralogist 88 (2003) 1369–1376; doi:

data_9003067
_publ_section_title
;
 Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
 relations to synthetic solid solutions
 Sample BT from Eibenstein an der Thaya, Lower Austria
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1369
_journal_page_last               1376
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al7.308 B3 Ca0.011 Fe0.021 H3 K0.002 Li0.378 Mn1.233 Na0.693 O31 Si5.928'
_chemical_name_mineral           Olenite
_space_group_IT_number           160
_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_formula_units_Z            3
_cell_length_a                   15.9466
_cell_length_b                   15.9466
_cell_length_c                   7.1384
_cell_volume                     1572.055
_exptl_crystal_density_diffrn    3.115
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.693 Ca.011 K.002 Al7.308 Mn1.233 Fe.021 Li.378 Si5.928 B3 O31 H3'
_cod_database_code               9003067
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample P6 from Eibenstein an der Thaya, Lower Austria
Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A.; American Mineralogist 88 (2003) 1369–1376; doi:

data_9003068
_publ_section_title
;
 Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
 relations to synthetic solid solutions
 Sample P6 from Eibenstein an der Thaya, Lower Austria
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1369
_journal_page_last               1376
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
;Al7.407 B3 Ca0.032 Fe0.018 H3 K0.004 Li0.483 Mn1.143 Na0.773 O31 Si5.826
 Ti0.006
;
_chemical_name_mineral           Olenite
_space_group_IT_number           160
_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_formula_units_Z            3
_cell_length_a                   15.941
_cell_length_b                   15.941
_cell_length_c                   7.136
_cell_volume                     1570.423
_exptl_crystal_density_diffrn    3.114
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.773 Ca.032 K.004 Al7.407 Mn1.143 Fe.018 Li.483 Ti.006 Si5.826 B3 O31 H3'
_cod_database_code               9003068
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: Ringby4
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003069
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: Ringby4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Mg1.996 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0633
_cell_length_b                   8.0633
_cell_length_c                   8.0633
_cell_formula_units_Z            8
_cell_volume                     524.250
_database_code_amcsd             0003158
_exptl_crystal_density_diffrn    3.563
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si Mg1.996 O4'
_cod_database_code               9003069
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: Ringby2
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003070
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: Ringby2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Mg1.944 O4 Si0.994'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0682
_cell_length_b                   8.0682
_cell_length_c                   8.0682
_cell_formula_units_Z            8
_cell_volume                     525.206
_database_code_amcsd             0003159
_exptl_crystal_density_diffrn    3.520
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si.994 Mg1.944 O4'
_cod_database_code               9003070
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: Ringby5
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003071
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: Ringby5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Mg1.946 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0687
_cell_length_b                   8.0687
_cell_length_c                   8.0687
_cell_formula_units_Z            8
_cell_volume                     525.304
_database_code_amcsd             0003160
_exptl_crystal_density_diffrn    3.525
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si Mg1.946 O4'
_cod_database_code               9003071
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: SZ0107
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003072
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: SZ0107
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe0.206 Mg1.708 O4 Si0.995'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.09027
_cell_length_b                   8.09027
_cell_length_c                   8.09027
_cell_formula_units_Z            8
_cell_volume                     529.528
_database_code_amcsd             0003161
_exptl_crystal_density_diffrn    3.637
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si.995 Mg1.708 Fe.206 O4'
_cod_database_code               9003072
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: SZ0002
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003073
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: SZ0002
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe0.216 Mg1.738 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0904
_cell_length_b                   8.0904
_cell_length_c                   8.0904
_cell_formula_units_Z            8
_cell_volume                     529.554
_database_code_amcsd             0003162
_exptl_crystal_density_diffrn    3.672
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si Mg1.738 Fe.216 O4'
_cod_database_code               9003073
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: SZ9901
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003074
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: SZ9901
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe0.23 Mg1.732 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0944
_cell_length_b                   8.0944
_cell_length_c                   8.0944
_cell_formula_units_Z            8
_cell_volume                     530.340
_database_code_amcsd             0003163
_exptl_crystal_density_diffrn    3.683
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si Mg1.732 Fe.23 O4'
_cod_database_code               9003074
Structural systematics of hydrous ringwoodite and water in Earth's interior Sample: SZ0104
Smyth, J. R.; Holl, C. M.; Frost, D. J.; Jacobsen, S. D.; Langenhorst, F.; McCammon, C. A.; American Mineralogist 88 (2003) 1402–1407; doi:

data_9003075
_publ_section_title
;
 Structural systematics of hydrous ringwoodite and water in Earth's interior
 Sample: SZ0104
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe0.258 Mg1.664 O4 Si0.987'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1053
_cell_length_b                   8.1053
_cell_length_c                   8.1053
_cell_formula_units_Z            8
_cell_volume                     532.485
_database_code_amcsd             0003164
_exptl_crystal_density_diffrn    3.657
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Si.987 Mg1.664 Fe.258 O4'
_cod_database_code               9003075
Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 0 GPa
Nagai, T.; Kagi, H.; Yamanaka, T.; American Mineralogist 88 (2003) 1423–1427; doi:

data_9003076
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   4.6250
_cell_length_b                   9.9900
_cell_length_c                   3.0370
_cell_formula_units_Z            4
_cell_volume                     140.321
_database_code_amcsd             0003165
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.158
_cod_database_code               9003076
Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 0.5 GPa
Nagai, T.; Kagi, H.; Yamanaka, T.; American Mineralogist 88 (2003) 1423–1427; doi:

data_9003077
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 0.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   4.6152
_cell_length_b                   9.9870
_cell_length_c                   3.0316
_cell_formula_units_Z            4
_cell_volume                     139.733
_database_code_amcsd             0003166
_diffrn_ambient_pressure         5e+05
_exptl_crystal_density_diffrn    4.176
_cod_database_code               9003077
Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 2.8 GPa
Nagai, T.; Kagi, H.; Yamanaka, T.; American Mineralogist 88 (2003) 1423–1427; doi:

data_9003078
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 2.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   4.5692
_cell_length_b                   9.9428
_cell_length_c                   3.0163
_cell_formula_units_Z            4
_cell_volume                     137.032
_database_code_amcsd             0003167
_diffrn_ambient_pressure         2.8e+06
_exptl_crystal_density_diffrn    4.258
_cod_database_code               9003078
Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 6.3 GPa
Nagai, T.; Kagi, H.; Yamanaka, T.; American Mineralogist 88 (2003) 1423–1427; doi:

data_9003079
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 6.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   4.5086
_cell_length_b                   9.8759
_cell_length_c                   2.9910
_cell_formula_units_Z            4
_cell_volume                     133.179
_database_code_amcsd             0003168
_diffrn_ambient_pressure         6.3e+06
_exptl_crystal_density_diffrn    4.381
_cod_database_code               9003079
Variation of hydrogen bonded O...O distances in goethite at high pressure Sample at P = 9.0 GPa
Nagai, T.; Kagi, H.; Yamanaka, T.; American Mineralogist 88 (2003) 1423–1427; doi:

data_9003080
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 9.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   4.4683
_cell_length_b                   9.8334
_cell_length_c                   2.9739
_cell_formula_units_Z            4
_cell_volume                     130.669
_database_code_amcsd             0003169
_diffrn_ambient_pressure         9e+06
_exptl_crystal_density_diffrn    4.465
_cod_database_code               9003080
Pressure-controlled polytypism in hydrous layered materials Sample: Low pressure dickite at P = 0.1 MPa
Dera, P.; Prewitt, C. T.; Japel, S.; Bish, D. L.; Johnston, C. T.; American Mineralogist 88 (2003) 1428–1435; doi:

data_9003081
_publ_section_title
;
 Pressure-controlled polytypism in hydrous layered materials
 Sample: Low pressure dickite at P = 0.1 MPa    
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1428
_journal_page_last               1435
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Dickite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.77
_cell_angle_gamma                90
_cell_length_a                   5.161
_cell_length_b                   8.960
_cell_length_c                   14.459
_cell_formula_units_Z            4
_cell_volume                     663.959
_database_code_amcsd             0003170
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.583
_cod_original_formula_sum        'Si2 Al2 O9 H4'
_cod_database_code               9003081
Pressure-controlled polytypism in hydrous layered materials Sample: High pressure dickite at P = 4.1 GPa
Dera, P.; Prewitt, C. T.; Japel, S.; Bish, D. L.; Johnston, C. T.; American Mineralogist 88 (2003) 1428–1435; doi:

data_9003082
_publ_section_title
;
 Pressure-controlled polytypism in hydrous layered materials
 Sample: High pressure dickite at P = 4.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1428
_journal_page_last               1435
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Dickite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.60
_cell_angle_gamma                90
_cell_length_a                   5.082
_cell_length_b                   8.757
_cell_length_c                   13.771
_cell_formula_units_Z            4
_cell_volume                     612.837
_database_code_amcsd             0003171
_diffrn_ambient_pressure         4.1e+06
_exptl_crystal_density_diffrn    2.798
_cod_original_formula_sum        'Si2 Al2 O9 H4'
_cod_database_code               9003082