LMucko/crystallography-open-database huggingface dataset:
Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy Sample: Lizardite-1T Note: U(1,2) for Mg/O3 altered to match symmetry constraints. Note: Thermal ellipsoid for O1 is non-positive definite
Mellini, M.; Zanazzi, P. F.; American Mineralogist 72 (1987) 943–948; doi:

data_9001092
_publ_section_title
;
 Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
 Sample: Lizardite-1T
 Note: U(1,2) for Mg/O3 altered to match symmetry constraints.
 Note: Thermal ellipsoid for O1 is non-positive definite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              943
_journal_page_last               948
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'H4 Mg3 O9 Si2'
_chemical_name_mineral           Lizardite
_space_group_crystal_system      trigonal
_space_group_IT_number           157
_space_group_name_Hall           'P 3 -2'
_space_group_name_H-M_alt        'P 3 1 m'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.325
_cell_length_b                   5.325
_cell_length_c                   7.259
_cell_volume                     178.257
_database_code_amcsd             0001114
_exptl_crystal_density_diffrn    2.581
_cod_original_formula_sum        'Si2 Mg3 O9 H4'
_cod_database_code               9001092
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure refinement Sample: FScEC-A3
Raudsepp, M.; Turnock, A. C.; Hawthorne, F. C.; American Mineralogist 72 (1987) 959–964; doi:

data_9001093
_publ_section_title
;Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement Sample: FScEC-A3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              959
_journal_page_last               964
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'F2 Mg4.094 Na3 O22 Sc0.906 Si8'
_chemical_name_mineral           Eckermannite
_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                 103.650
_cell_angle_gamma                90
_cell_length_a                   9.8384
_cell_length_b                   18.0634
_cell_length_c                   5.2926
_cell_formula_units_Z            2
_cell_volume                     914.008
_database_code_amcsd             0001115
_exptl_crystal_density_diffrn    2.994
_cod_original_formula_sum        'O22 F2 Si8 Mg4.094 Sc.906 Na3'
_cod_database_code               9001093
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure refinement Sample: FInEC-A3
Raudsepp, M.; Turnock, A. C.; Hawthorne, F. C.; American Mineralogist 72 (1987) 959–964; doi:

data_9001094
_publ_section_title
;Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement Sample: FInEC-A3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              959
_journal_page_last               964
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'F2 In0.962 Mg4.038 Na3 O22 Si8'
_chemical_name_mineral           Eckermannite
_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                 103.521
_cell_angle_gamma                90
_cell_length_a                   9.8527
_cell_length_b                   18.0966
_cell_length_c                   5.2928
_cell_formula_units_Z            2
_cell_volume                     917.553
_database_code_amcsd             0001116
_exptl_crystal_density_diffrn    3.229
_cod_original_formula_sum        'O22 F2 Si8 Mg4.038 In.962 Na3'
_cod_database_code               9001094
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure refinement Sample: FScNY-A3
Raudsepp, M.; Turnock, A. C.; Hawthorne, F. C.; American Mineralogist 72 (1987) 959–964; doi:

data_9001095
_publ_section_title
;Characterization of cation ordering in synthetic scandium-fluor-eckermannite,
 indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure
 refinement Sample: FScNY-A3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              959
_journal_page_last               964
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Al F2 Mg3.214 Na3 O22 Sc1.786 Si7'
_chemical_name_mineral           Nyboite
_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                 103.979
_cell_angle_gamma                90
_cell_length_a                   9.8425
_cell_length_b                   18.157
_cell_length_c                   5.3381
_cell_formula_units_Z            2
_cell_volume                     925.721
_database_code_amcsd             0001117
_exptl_crystal_density_diffrn    3.017
_cod_original_formula_sum        'O22 F2 Si7 Al Mg3.214 Sc1.786 Na3'
_cod_database_code               9001095
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = 0.00
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001096
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = 0.00
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.749
_cell_length_b                   10.1985
_cell_length_c                   5.9792
_cell_formula_units_Z            4
_cell_volume                     289.589
_database_code_amcsd             0001118
_exptl_crystal_density_diffrn    3.227
_cod_original_formula_sum        'Mg2 Si O4'
_cod_database_code               9001096
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .30
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001097
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .30
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg1.4 Ni0.6 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7447
_cell_length_b                   10.1993
_cell_length_c                   5.9567
_cell_formula_units_Z            4
_cell_volume                     288.260
_database_code_amcsd             0001119
_exptl_crystal_density_diffrn    3.717
_cod_original_formula_sum        '(Mg1.4 Ni.6) Si O4'
_cod_database_code               9001097
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .36
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001098
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .36
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg1.276 Ni0.724 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7437
_cell_length_b                   10.1947
_cell_length_c                   5.9508
_cell_formula_units_Z            4
_cell_volume                     287.784
_database_code_amcsd             0001120
_exptl_crystal_density_diffrn    3.822
_cod_original_formula_sum        '(Mg1.276 Ni.724) Si O4'
_cod_database_code               9001098
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .51
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001099
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .51
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg0.98 Ni1.02 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.739
_cell_length_b                   10.183
_cell_length_c                   5.943
_cell_formula_units_Z            4
_cell_volume                     286.793
_database_code_amcsd             0001121
_exptl_crystal_density_diffrn    4.071
_cod_original_formula_sum        '(Mg.98 Ni1.02) Si O4'
_cod_database_code               9001099
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .69
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001100
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .69
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg0.62 Ni1.38 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7352
_cell_length_b                   10.1612
_cell_length_c                   5.9317
_cell_formula_units_Z            4
_cell_volume                     285.406
_database_code_amcsd             0001122
_exptl_crystal_density_diffrn    4.379
_cod_original_formula_sum        '(Mg.62 Ni1.38) Si O4'
_cod_database_code               9001100
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = .75
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001101
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = .75
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Mg0.5 Ni1.5 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7331
_cell_length_b                   10.1565
_cell_length_c                   5.9285
_cell_formula_units_Z            4
_cell_volume                     284.993
_database_code_amcsd             0001123
_exptl_crystal_density_diffrn    4.481
_cod_original_formula_sum        '(Mg.5 Ni1.5) Si O4'
_cod_database_code               9001101
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = 1.00
Bostrom, D.; American Mineralogist 72 (1987) 965–972; doi:

data_9001102
_publ_section_title
;
 Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
 solutions
 Sample: XNi2+ = 1.00
;
_journal_name_full               'American Mineralogist'
_journal_page_first              965
_journal_page_last               972
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Ni2 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7296
_cell_length_b                   10.1209
_cell_length_c                   5.9150
_cell_formula_units_Z            4
_cell_volume                     283.138
_database_code_amcsd             0001124
_exptl_crystal_density_diffrn    4.914
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9001102
Crystal-structure refinement of high sanidine from the upper mantle
Scambos, T. A.; Smyth, J. R.; McCormick, T. C.; American Mineralogist 72 (1987) 973–978; doi:

data_9001103
_publ_section_title
;
 Crystal-structure refinement of high sanidine from the upper mantle
;
_journal_name_full               'American Mineralogist'
_journal_page_first              973
_journal_page_last               978
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Sanidine-high
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.595
_cell_length_b                   13.028
_cell_length_c                   7.175
_cell_volume                     722.482
_database_code_amcsd             0001125
_exptl_crystal_density_diffrn    2.559
_cod_original_formula_sum        'K (Al Si3) O8'
_cod_database_code               9001103
Neutron-diffraction study of bertrandite Note: O2y has been corrected
Downs, J. W.; Ross, F. K.; American Mineralogist 72 (1987) 979–983; doi:

data_9001104
_publ_section_title
;
 Neutron-diffraction study of bertrandite
 Note: O2y has been corrected
;
_journal_name_full               'American Mineralogist'
_journal_page_first              979
_journal_page_last               983
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Be4 H2 O9 Si2'
_chemical_name_mineral           Bertrandite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7135
_cell_length_b                   15.268
_cell_length_c                   4.5683
_cell_volume                     607.756
_database_code_amcsd             0001126
_exptl_crystal_density_diffrn    2.604
_cod_original_formula_sum        'Si2 Be4 H2 O9'
_cod_database_code               9001104
Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure
Hughes, J. M.; Starkey, S. J.; Malinconico, M. L.; Malinconico, L. L.; American Mineralogist 72 (1987) 1000–1005; doi:

data_9001105
_publ_section_title
;
 Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco
 volcano, El Salvador: Descriptive mineralogy and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1000
_journal_page_last               1005
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Cu1.59 Fe2 O12 V3'
_chemical_name_mineral           Lyonsite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.296
_cell_length_b                   17.207
_cell_length_c                   4.910
_cell_formula_units_Z            4
_cell_volume                     869.872
_database_code_amcsd             0001127
_exptl_crystal_density_diffrn    4.257
_cod_original_formula_sum        'Cu1.59 Fe2 V3 O12'
_cod_database_code               9001105
Lucasite-(Ce), CeTi2(O,OH)6, a new mineral from Western Australia: Its description and structure
Nickel, E. H.; Grey, I. E.; Madsen, I. C.; American Mineralogist 72 (1987) 1006–1010; doi:

data_9001106
_publ_section_title
;
 Lucasite-(Ce), CeTi2(O,OH)6, a new mineral from Western Australia: Its
 description and structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1006
_journal_page_last               1010
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Ce O6 Ti2'
_chemical_name_mineral           Lucasite-(Ce)
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.52
_cell_angle_gamma                90
_cell_length_a                   5.178
_cell_length_b                   8.756
_cell_length_c                   9.768
_cell_formula_units_Z            4
_cell_volume                     442.032
_database_code_amcsd             0001128
_exptl_crystal_density_diffrn    4.987
_cod_original_formula_sum        'Ce Ti2 O6'
_cod_database_code               9001106
Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a structure with enormous polyanions Sample: investigated by Moore, Sen Gupta, Schlemper
Moore, P. B.; Sen Gupta, P. K.; Schlemper, E. O.; Merlino, S.; American Mineralogist 72 (1987) 1176–1189; doi:

data_9001107
_publ_section_title
;
 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
 structure with enormous polyanions
 Sample: investigated by Moore, Sen Gupta, Schlemper
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1176
_journal_page_last               1189
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'C16 H14.8 K10.4 Na8.26 O202.96 Si54.16 Y24'
_chemical_name_mineral           Ashcroftine-(Y)
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.994
_cell_length_b                   23.994
_cell_length_c                   17.512
_cell_volume                     10081.869
_database_code_amcsd             0001129
_exptl_crystal_density_diffrn    2.538
_cod_original_cell_volume        10081.868
_cod_original_formula_sum        'Si54.16 O202.96 C16 Y24 K10.4 Na8.26 H14.8'
_cod_database_code               9001107
Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a structure with enormous polyanions Sample: investigated by Merlino
Moore, P. B.; Sen Gupta, P. K.; Schlemper, E. O.; Merlino, S.; American Mineralogist 72 (1987) 1176–1189; doi:

data_9001108
_publ_section_title
;
 Ashcroftine, ca. K10Na10(Y,Ca)24(OH)4(CO3)16(Si56O140).16H2O, a
 structure with enormous polyanions
 Sample: investigated by Merlino
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1176
_journal_page_last               1189
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum
'C8 H9.1 B2.08 Ca1.72 K5 Na5.4 O103.36 Si25.92 Y10.28'
_chemical_name_mineral           Ashcroftine-(Y)
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.039
_cell_length_b                   24.039
_cell_length_c                   17.538
_cell_volume                     10134.746
_database_code_amcsd             0001130
_exptl_crystal_density_diffrn    2.498
_cod_original_cell_volume        10134.745
_cod_original_formula_sum
'Si25.92 O103.36 C8 (Y10.28 Ca1.72) K5 Na5.4 B2.08 H9.1'
_cod_database_code               9001108
Crystal structure of grischunite
Bianchi, R.; Pilati, T.; Mannucci, G.; American Mineralogist 72 (1987) 1225–1229; doi:

data_9001109
_publ_section_title
;
 Crystal structure of grischunite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1225
_journal_page_last               1229
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source
'the old manganese mine, Falotta, Graubunden, Switzerland'
_chemical_formula_sum            'As6 Ca2.121 Fe H4 Mn5 Na0.73 O26'
_chemical_name_mineral           Grischunite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.855
_cell_length_b                   13.487
_cell_length_c                   12.047
_cell_volume                     2088.653
_database_code_amcsd             0001131
_exptl_crystal_density_diffrn    4.140
_cod_original_formula_sum        'As6 Mn5 Fe Ca2.121 Na.73 O26 H4'
_cod_database_code               9001109