LMucko/crystallography-open-database huggingface dataset:
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section
Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.; American Mineralogist 92 (2007) 57–63; doi:10.2138/am.2007.2228

data_9010143
_publ_section_title
;First in situ X-ray diffraction identification of coesite and retrograde
 quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and
 their crystal structure details Locality: Yangkou meta-igneous complex in the
 middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin
 section
;
_journal_name_full               'American Mineralogist'
_journal_page_first              57
_journal_page_last               63
_journal_paper_doi               10.2138/am.2007.2228
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source
'Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.34
_cell_angle_gamma                90
_cell_length_a                   7.140
_cell_length_b                   12.371
_cell_length_c                   7.175
_cell_formula_units_Z            16
_cell_volume                     546.962
_database_code_amcsd             0004264
_exptl_crystal_density_diffrn    2.919
_cod_original_formula_sum        'Si O2'
_cod_database_code               9010143
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section
Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.; American Mineralogist 92 (2007) 57–63; doi:10.2138/am.2007.2228

data_9010144
_publ_section_title
;First in situ X-ray diffraction identification of coesite and retrograde
 quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and
 their crystal structure details Locality: Yangkou meta-igneous complex in the
 middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin
 section
;
_journal_name_full               'American Mineralogist'
_journal_page_first              57
_journal_page_last               63
_journal_paper_doi               10.2138/am.2007.2228
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source
'Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.923
_cell_length_b                   4.923
_cell_length_c                   5.409
_cell_formula_units_Z            3
_cell_volume                     113.529
_database_code_amcsd             0004265
_exptl_crystal_density_diffrn    2.636
_cod_original_formula_sum        'Si O2'
_cod_database_code               9010144
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in air
Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.; American Mineralogist 92 (2007) 57–63; doi:10.2138/am.2007.2228

data_9010145
_publ_section_title
;First in situ X-ray diffraction identification of coesite and retrograde
 quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and
 their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara,
 Southwest Japan Sample: in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              57
_journal_page_last               63
_journal_paper_doi               10.2138/am.2007.2228
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source
'Oomine granite, Tenkawa-mura, Nara, Southwest Japan'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.918
_cell_length_b                   4.918
_cell_length_c                   5.407
_cell_formula_units_Z            3
_cell_volume                     113.257
_database_code_amcsd             0004266
_exptl_crystal_density_diffrn    2.643
_cod_original_formula_sum        'Si O2'
_cod_database_code               9010145
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in a thin section
Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.; American Mineralogist 92 (2007) 57–63; doi:10.2138/am.2007.2228

data_9010146
_publ_section_title
;First in situ X-ray diffraction identification of coesite and retrograde
 quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and
 their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara,
 Southwest Japan Sample: in a thin section
;
_journal_name_full               'American Mineralogist'
_journal_page_first              57
_journal_page_last               63
_journal_paper_doi               10.2138/am.2007.2228
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source
'Oomine granite, Tenkawa-mura, Nara, Southwest Japan'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.917
_cell_length_b                   4.917
_cell_length_c                   5.410
_cell_formula_units_Z            3
_cell_volume                     113.273
_database_code_amcsd             0004267
_exptl_crystal_density_diffrn    2.642
_cod_original_formula_sum        'Si O2'
_cod_database_code               9010146
The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite- sapphirine-surinamite group mineral
Grew, E. S.; Barbier, J.; Britten, J.; Halenius, U.; Shearer, C. K.; American Mineralogist 92 (2007) 80–90; doi:10.2138/am.2007.2250

data_9010147
_publ_section_title
;
 The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite-
 sapphirine-surinamite group mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              80
_journal_page_last               90
_journal_paper_doi               10.2138/am.2007.2250
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum
'Al1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73'
_chemical_name_mineral           Welshite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                105.953
_cell_angle_beta                 96.294
_cell_angle_gamma                124.948
_cell_length_a                   10.394
_cell_length_b                   10.777
_cell_length_c                   8.896
_cell_formula_units_Z            1
_cell_volume                     738.874
_database_code_amcsd             0004268
_exptl_crystal_density_diffrn    3.895
_cod_original_formula_sum
'Ca3.78 Mg7.87 Sb3 Mn1.35 Si5.73 Be3.33 Al1.71 Fe.96 As.27 O40'
_cod_database_code               9010147
Synchrotron powder X-ray diffraction study of the structure and dehydration behavior of sepiolite Sample: T = room temperature, in air
Post, J. E.; Bish, D. L.; Heaney, P. J.; American Mineralogist 92 (2007) 91–97; doi:10.2138/am.2007.2134

data_9010148
_publ_section_title
;
 Synchrotron powder X-ray diffraction study of the structure and dehydration
 behavior of sepiolite
 Sample: T = room temperature, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              91
_journal_page_last               97
_journal_paper_doi               10.2138/am.2007.2134
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Durango, Mexico'
_chemical_formula_sum            'H8.48 Mg4 O22.91 Si6'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.405
_cell_length_b                   27.016
_cell_length_c                   5.2750
_cell_volume                     1910.339
_database_code_amcsd             0004269
_exptl_crystal_density_diffrn    2.228
_cod_original_formula_sum        'Mg4 Si6 O22.91 H8.48'
_cod_database_code               9010148
Synchrotron powder X-ray diffraction study of the structure and dehydration behavior of sepiolite Sample: T = 742 K
Post, J. E.; Bish, D. L.; Heaney, P. J.; American Mineralogist 92 (2007) 91–97; doi:10.2138/am.2007.2134

data_9010149
_publ_section_title
;
 Synchrotron powder X-ray diffraction study of the structure and dehydration
 behavior of sepiolite
 Sample: T = 742 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              91
_journal_page_last               97
_journal_paper_doi               10.2138/am.2007.2134
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Durango, Mexico'
_chemical_formula_sum            'H2 Mg2 O9 Si3'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.06
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.446
_cell_length_b                   11.352
_cell_length_c                   5.2782
_cell_volume                     1404.651
_database_code_amcsd             0004270
_diffrn_ambient_temperature      742
_exptl_crystal_density_diffrn    2.633
_cod_original_formula_sum        'Mg2 Si3 O9 H2'
_cod_database_code               9010149
Crystal structure of tooeleite, Fe6(AsO3)4SO4(OH)4 * 4H2O, a new iron arsenite oxyhydroxysulfate mineral relevant of acid mine drainage Locality: Tooele County, Utah
Morin, G.; Rousse, G.; Elkaim, E.; American Mineralogist 92 (2007) 193–197; doi:10.2138/am.2007.2361

data_9010150
_publ_section_title
;Crystal structure of tooeleite, Fe6(AsO3)4SO4(OH)4 * 4H2O, a new iron
 arsenite oxyhydroxysulfate mineral relevant of acid mine drainage Locality:
 Tooele County, Utah
;
_journal_name_full               'American Mineralogist'
_journal_page_first              193
_journal_page_last               197
_journal_paper_doi               10.2138/am.2007.2361
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Tooele County, Utah'
_chemical_formula_sum            'As2 Fe3 H6 O12.6 S0.65'
_chemical_name_mineral           Tooeleite
_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                 96.032
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9575
_cell_length_b                   6.4238
_cell_length_c                   9.7912
_cell_volume                     560.278
_database_code_amcsd             0004271
_exptl_crystal_density_diffrn    3.236
_cod_original_formula_sum        'As2 Fe3 O12.6 S.65 H6'
_cod_database_code               9010150
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships
Bonaccorsi, E.; Merlino, S.; Orlandi, P.; American Mineralogist 92 (2007) 198–203; doi:10.2138/am.2007.2240

data_9010151
_publ_section_title
;Zincalstibite, a new mineral, and cualstibite: Crystal chemical and
 structural relationships
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               203
_journal_paper_doi               10.2138/am.2007.2240
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Al Cu2 H12 O12 Sb'
_chemical_name_mineral           Cualstibite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.150
_cell_length_b                   9.150
_cell_length_c                   9.745
_cell_formula_units_Z            3
_cell_volume                     706.569
_database_code_amcsd             0004272
_exptl_crystal_density_diffrn    3.384
_cod_original_formula_sum        'Cu2 Al Sb O12 H12'
_cod_database_code               9010151
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural relationships Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan Alps, Tuscany, Italy
Bonaccorsi, E.; Merlino, S.; Orlandi, P.; American Mineralogist 92 (2007) 198–203; doi:10.2138/am.2007.2240

data_9010152
_publ_section_title
;Zincalstibite, a new mineral, and cualstibite: Crystal chemical and
 structural relationships Locality: Lucchetti marble quarry, Fantiscritti
 marble basin, Carrara, Apuan Alps, Tuscany, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              198
_journal_page_last               203
_journal_paper_doi               10.2138/am.2007.2240
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source
'Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan'
_chemical_formula_sum            'Al1.01 H12 O12 Sb Zn1.99'
_chemical_name_mineral           Zincalstibite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.3270
_cell_length_b                   5.3270
_cell_length_c                   9.792
_cell_volume                     240.640
_database_code_amcsd             0004273
_exptl_crystal_density_diffrn    3.334
_cod_original_formula_sum        '(Zn1.99 Al1.01) Sb O12 H12'
_cod_database_code               9010152
New chemical and physical data on keilite from the Zaklodzie enstatite achondrite Locality: Zaklodzie enstatite achondrite meteorite
Karwowski, L.; Kryza, R.; Przylibski, T. A.; American Mineralogist 92 (2007) 204–209; doi:10.2138/am.2007.2133

data_9010153
_publ_section_title
;New chemical and physical data on keilite from the Zaklodzie enstatite
 achondrite Locality: Zaklodzie enstatite achondrite meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              204
_journal_page_last               209
_journal_paper_doi               10.2138/am.2007.2133
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Zaklodzie enstatite achondrite meteorite'
_chemical_formula_sum
'Ca0.017 Cr0.019 Fe0.437 Mg0.16 Mn0.356 S Zn0.001'
_chemical_name_mineral           Keilite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1717
_cell_length_b                   5.1717
_cell_length_c                   5.1717
_cell_formula_units_Z            4
_cell_volume                     138.325
_database_code_amcsd             0004274
_exptl_crystal_density_diffrn    3.921
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe.437 Mn.356 Mg.16 Ca.017 Cr.019 Zn.001 S'
_cod_database_code               9010153
Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene
Yang, H.; Downs, R. T.; American Mineralogist 92 (2007) 225–228; doi:10.2138/am.2007.2439

data_9010154
_publ_section_title
;
 Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              225
_journal_page_last               228
_journal_paper_doi               10.2138/am.2007.2439
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Li.52Mg.48)(Mg.48Sc.52)Si2O6
_chemical_formula_sum            'Li0.52 Mg0.96 O6 Sc0.52 Si2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.259
_cell_length_b                   8.883
_cell_length_c                   5.271
_cell_formula_units_Z            8
_cell_volume                     854.928
_database_code_amcsd             0004275
_exptl_crystal_density_diffrn    3.146
_cod_original_formula_sum        '(Mg.96 Sc.52) Li.52 Si2 O6'
_cod_database_code               9010154
_amcsd_formula_title             (Li.52Mg.48)(Mg.48Sc.52)Si2O6
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Na-birnessite
Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.; American Mineralogist 92 (2007) 380–387; doi:10.2138/am.2007.2242

data_9010155
_publ_section_title
;Time-resolved structural analysis of K-and Ba-exchange reactions with
 synthetic Na-birnessite using synchrotron X-ray diffraction Locality:
 synthetic Sample: Na-birnessite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              380
_journal_page_last               387
_journal_paper_doi               10.2138/am.2007.2242
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H4 Mn Na0.29 O2.691'
_chemical_name_mineral           Birnessite
_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                89.45
_cell_angle_beta                 103.18
_cell_angle_gamma                89.91
_cell_formula_units_Z            2
_cell_length_a                   5.1780
_cell_length_b                   2.8509
_cell_length_c                   7.3344
_cell_volume                     105.412
_database_code_amcsd             0004276
_exptl_crystal_density_diffrn    3.424
_cod_original_formula_sum        'Na.29 Mn O2.691 H4'
_cod_database_code               9010155
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: K-birnessite
Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.; American Mineralogist 92 (2007) 380–387; doi:10.2138/am.2007.2242

data_9010156
_publ_section_title
;Time-resolved structural analysis of K-and Ba-exchange reactions with
 synthetic Na-birnessite using synchrotron X-ray diffraction Locality:
 synthetic Sample: K-birnessite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              380
_journal_page_last               387
_journal_paper_doi               10.2138/am.2007.2242
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H4 K0.23 Mn O2.776'
_chemical_name_mineral           Birnessite
_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                89.96
_cell_angle_beta                 100.75
_cell_angle_gamma                89.702
_cell_formula_units_Z            2
_cell_length_a                   5.1371
_cell_length_b                   2.8476
_cell_length_c                   7.2131
_cell_volume                     103.663
_database_code_amcsd             0004277
_exptl_crystal_density_diffrn    3.600
_cod_original_formula_sum        'K.23 Mn O2.776 H4'
_cod_database_code               9010156
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Ba-birnessite
Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.; American Mineralogist 92 (2007) 380–387; doi:10.2138/am.2007.2242

data_9010157
_publ_section_title
;Time-resolved structural analysis of K-and Ba-exchange reactions with
 synthetic Na-birnessite using synchrotron X-ray diffraction Locality:
 synthetic Sample: Ba-birnessite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              380
_journal_page_last               387
_journal_paper_doi               10.2138/am.2007.2242
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ba.29Mn2O4*.888H2O
_chemical_formula_sum            'Ba0.145 H4 Mn O2.444'
_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                89.516
_cell_angle_beta                 102.957
_cell_angle_gamma                89.897
_cell_formula_units_Z            2
_cell_length_a                   5.1711
_cell_length_b                   2.8476
_cell_length_c                   7.3076
_cell_volume                     104.862
_database_code_amcsd             0004278
_exptl_crystal_density_diffrn    3.737
_cod_original_formula_sum        'Ba.145 Mn O2.444 H4'
_cod_database_code               9010157
_amcsd_formula_title             Ba.29Mn2O4*.888H2O