LMucko/crystallography-open-database huggingface dataset:
Structural parameters of chromite included in diamond and kimberlites from Siberia: A new tool for discriminating ultramafic source Note: sample UV-170
Lenaz, D.; Logvinova, A. M.; Princivalle, F.; Sobolev, N. V.; American Mineralogists 94 (2009) 1067–1070; doi:10.2138/am.2009.3165

data_9013670
_publ_section_title
;
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample UV-170
;
_journal_name_full               'American Mineralogists'
_journal_page_first              1067
_journal_page_last               1070
_journal_paper_doi               10.2138/am.2009.3165
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Internatsionalnaya mine, Malo-Botuobiya kimberlite field, Russia'
_chemical_formula_sum
'Al0.396 Cr1.6 Fe0.416 Mg0.607 Mn0.008 O4 Ti0.002'
_chemical_name_mineral           Chromite
_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                   8.3055
_cell_length_b                   8.3055
_cell_length_c                   8.3055
_cell_formula_units_Z            8
_cell_volume                     572.924
_database_code_amcsd             0004967
_exptl_crystal_density_diffrn    4.554
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg.607 Al.396 Mn.008 Fe.416 Ti.002 Cr1.6 O4'
_cod_database_code               9013670
Structural parameters of chromite included in diamond and kimberlites from Siberia: A new tool for discriminating ultramafic source Note: sample O-119
Lenaz, D.; Logvinova, A. M.; Princivalle, F.; Sobolev, N. V.; American Mineralogists 94 (2009) 1067–1070; doi:10.2138/am.2009.3165

data_9013671
_publ_section_title
;
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample O-119
;
_journal_name_full               'American Mineralogists'
_journal_page_first              1067
_journal_page_last               1070
_journal_paper_doi               10.2138/am.2009.3165
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Obnazhennaya pipe,within the Kuoika kimberlite field, Russia'
_chemical_formula_sum
'Al1.284 Cr0.632 Fe0.416 Mg0.649 Ni0.006 O4 Ti0.006'
_chemical_name_mineral           Spinel
_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                   8.1821
_cell_length_b                   8.1821
_cell_length_c                   8.1821
_cell_formula_units_Z            8
_cell_volume                     547.765
_database_code_amcsd             0004968
_exptl_crystal_density_diffrn    4.151
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Mg.649 Al1.284 Fe.416 Ti.006 Cr.632 Ni.006 O4'
_cod_database_code               9013671
Structural parameters of chromite included in diamond and kimberlites from Siberia: A new tool for discriminating ultramafic source Note: sample O-601
Lenaz, D.; Logvinova, A. M.; Princivalle, F.; Sobolev, N. V.; American Mineralogists 94 (2009) 1067–1070; doi:10.2138/am.2009.3165

data_9013672
_publ_section_title
;
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample O-601
;
_journal_name_full               'American Mineralogists'
_journal_page_first              1067
_journal_page_last               1070
_journal_paper_doi               10.2138/am.2009.3165
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Obnazhennaya pipe,within the Kuoika kimberlite field, Russia'
_chemical_formula_sum
'Al1.448 Cr0.544 Fe0.251 Mg0.744 Mn0.003 Ni0.006 O4 Ti0.004'
_chemical_name_mineral           Spinel
_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                   8.17149
_cell_length_b                   8.17149
_cell_length_c                   8.17149
_cell_formula_units_Z            8
_cell_volume                     545.637
_database_code_amcsd             0004969
_exptl_crystal_density_diffrn    3.997
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Mg.744 Al1.448 Mn.003 Fe.251 Ti.004 Cr.544 Ni.006 O4'
_cod_database_code               9013672
Structure determination of the 2.5 hydrate MgSO4 phase by simulated annealing Locality: synthetic
Ma, H.; Bish, D. L.; Wang, H. W.; Chipera, S. J.; American Mineralogist 94 (2009) 1071–1074; doi:10.2138/am.2009.3221

data_9013673
_publ_section_title
;Structure determination of the 2.5 hydrate MgSO4 phase by simulated annealing
 Locality: synthetic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1071
_journal_page_last               1074
_journal_paper_doi               10.2138/am.2009.3221
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     MgSO4*2.5H2O
_chemical_formula_sum            'H10 Mg2 O13 S2'
_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                 94.568
_cell_angle_gamma                90
_cell_length_a                   18.8636
_cell_length_b                   12.3391
_cell_length_c                   8.9957
_cell_volume                     2087.187
_exptl_crystal_density_diffrn    2.106
_cell_formula_units_Z            8
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'Mg2 S2 O13 H10'
_cod_database_code               9013673
_database_code_amcsd 0004970
Elastic behavior and phase stability of pollucite, a potential host for nuclear waste Locality: Greenwood, Oxford County, Maine, USA
Gatta, G. D.; Rotiroti, N.; Boffa Ballaran, T.; Sanchez-Valle C; Pavese, A.; American Mineralogist 94 (2009) 1137–1143; doi:10.2138/am.2009.3195

data_9013674
_publ_section_title
;Elastic behavior and phase stability of pollucite, a potential host for
 nuclear waste Locality: Greenwood, Oxford County, Maine, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1137
_journal_page_last               1143
_journal_paper_doi               10.2138/am.2009.3195
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Greenwood, Oxford County, Maine, USA'
_chemical_formula_sum            'Al1.536 Cs1.34 H4 Na0.204 O12.66 Si4.434'
_chemical_name_mineral           Pollucite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.667
_cell_length_b                   13.667
_cell_length_c                   13.667
_cell_volume                     2552.816
_database_code_amcsd             0004971
_exptl_crystal_density_diffrn    2.890
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Cs1.34 O12.66 Na.204 Si4.434 Al1.536 H4'
_cod_database_code               9013674
_cell_formula_units_Z 8
Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino County, California Locality: Blue Bell claims near Baker, San Bernardino County, California, USA
Kampf, A. R.; Rossman, G. R.; Housley, R. M.; American Mineralogist 94 (2009) 1198–1204; doi:10.2138/am.2009.3156

data_9013675
_publ_section_title
;Plumbophyllite, a new species from the Blue Bell claims near Baker, San
 Bernardino County, California Locality: Blue Bell claims near Baker, San
 Bernardino County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1198
_journal_page_last               1204
_journal_paper_doi               10.2138/am.2009.3156
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Blue Bell claims near Baker, San Bernardino County, California, USA'
_chemical_formula_sum            'H2 O5.5 Pb Si2'
_chemical_name_mineral           Plumbophyllite
_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_formula_units_Z            8
_cell_length_a                   13.2083
_cell_length_b                   9.7832
_cell_length_c                   8.6545
_cell_volume                     1118.330
_database_code_amcsd             0004972
_exptl_crystal_density_diffrn    4.198
_cod_original_formula_sum        'Pb Si2 O5.5 H2'
_cod_database_code               9013675
Crystal structure and iron topochemistry of erionite-K from Rome, Oregon, U.S.A.
Ballirano, P.; Andreozzi, G. B.; Dogan, M.; Dogan, A. U.; American Mineralogist 94 (2009) 1262–1270; doi:10.2138/am.2009.3163

data_9013676
_publ_section_title
;
 Crystal structure and iron topochemistry of
 erionite-K from Rome, Oregon, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1262
_journal_page_last               1270
_journal_paper_doi               10.2138/am.2009.3163
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Rome, Oregon, USA'
_chemical_formula_sum
'Al3.378 Ca0.54 H78 K1.381 Mg1.116 Mn0.012 Na1.254 O53.466 Si14.622'
_chemical_name_mineral           Erionite-K
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.22794
_cell_length_b                   13.22794
_cell_length_c                   15.06946
_cell_volume                     2283.562
_database_code_amcsd             0004973
_exptl_crystal_density_diffrn    2.281
_cod_original_formula_sum
'K1.381 Na1.254 Ca.54 Mg1.116 Mn.012 (Al3.378 Si14.622) O53.466 H78'
_cod_database_code               9013676
Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
Zelenski, M.; Garavelli, A.; Pinto, D.; Vurro, F.; Moelo, Y.; Bindi, L.; Makovicky, E.; Bonaccorsi, E.; American Mineralogist 94 (2009) 1312–1324; doi:10.2138/am.2009.3190

data_9013677
_publ_section_title
;
 Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky
 volcano, Kamchatka Peninsula, Russian Federation
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1312
_journal_page_last               1324
_journal_paper_doi               10.2138/am.2009.3190
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Mutnovsky volcano, Kamchatka Peninsula, Russian Federation'
_chemical_formula_sum
'As6.41 Bi4.59 Cd0.5 Cl4 H0.48 N0.12 Pb10.13 S26 Sn0.25'
_chemical_name_mineral           Tazieffite
_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                 98.84
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.3520
_cell_length_b                   45.592
_cell_length_c                   27.261
_cell_volume                     10257.256
_database_code_amcsd             0004974
_exptl_crystal_density_diffrn    5.960
_cod_original_formula_sum
'Pb10.13 N.12 H.48 Cd.5 Sn.25 As6.41 Bi4.59 S26 Cl4'
_cod_database_code               9013677
Structural and spectroscopic characterization of a suite of fibrous amphiboles with high environmental and health relevance from Biancaville (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 1
Andreozzi, G. B.; Ballirano, P.; Gianfagna, A.; Mazziotti-Tagliani S; Pacella, A.; American Mineralogist 94 (2009) 1333–1340; doi:10.2138/am.2009.3214

data_9013678
_publ_section_title
;Structural and spectroscopic characterization of a suite of fibrous
 amphiboles with high environmental and health relevance from Biancaville
 (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1340
_journal_paper_doi               10.2138/am.2009.3214
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Biancaville, Sicily, Italy'
_chemical_formula_sum
'Al0.32 Ca1.28 Fe0.66 K0.21 Mg4.5 Mn0.08 Na1.27 O24 Si7.68'
_chemical_name_mineral           Fluoro-edenite
_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                 104.406
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8056
_cell_length_b                   18.0105
_cell_length_c                   5.2725
_cell_volume                     901.865
_database_code_amcsd             0004975
_exptl_crystal_density_diffrn    3.121
_cod_original_cell_volume        901.866
_cod_original_formula_sum
'O24 (Si7.68 Al.32) Mg4.5 Fe.66 Ca1.28 Na1.27 Mn.08 K.21'
_cod_database_code               9013678
Structural and spectroscopic characterization of a suite of fibrous amphiboles with high environmental and health relevance from Biancaville (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 2
Andreozzi, G. B.; Ballirano, P.; Gianfagna, A.; Mazziotti-Tagliani S; Pacella, A.; American Mineralogist 94 (2009) 1333–1340; doi:10.2138/am.2009.3214

data_9013679
_publ_section_title
;Structural and spectroscopic characterization of a suite of fibrous
 amphiboles with high environmental and health relevance from Biancaville
 (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1340
_journal_paper_doi               10.2138/am.2009.3214
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Biancaville, Sicily, Italy'
_chemical_formula_sum
'Al0.4 Ca1.56 Fe0.73 K0.09 Mg4.35 Mn0.04 Na0.94 O24 Si7.6'
_chemical_name_mineral           Fluoro-edenite
_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                 104.624
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8112
_cell_length_b                   18.0162
_cell_length_c                   5.2774
_cell_volume                     902.615
_database_code_amcsd             0004976
_exptl_crystal_density_diffrn    3.108
_cod_original_formula_sum
'O24 (Si7.6 Al.4) Mg4.35 Fe.73 Ca1.56 Na.94 Mn.04 K.09'
_cod_database_code               9013679
Structural and spectroscopic characterization of a suite of fibrous amphiboles with high environmental and health relevance from Biancaville (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 3
Andreozzi, G. B.; Ballirano, P.; Gianfagna, A.; Mazziotti-Tagliani S; Pacella, A.; American Mineralogist 94 (2009) 1333–1340; doi:10.2138/am.2009.3214

data_9013680
_publ_section_title
;Structural and spectroscopic characterization of a suite of fibrous
 amphiboles with high environmental and health relevance from Biancaville
 (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1340
_journal_paper_doi               10.2138/am.2009.3214
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Biancaville, Sicily, Italy'
_chemical_formula_sum
'Al0.4 Ca1.4 Fe0.42 K0.1 Mg4.74 Mn0.06 Na1.32 O24 Si7.6'
_chemical_name_mineral           Fluoro-edenite
_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                 104.596
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8272
_cell_length_b                   17.9899
_cell_length_c                   5.2756
_cell_volume                     902.575
_database_code_amcsd             0004977
_exptl_crystal_density_diffrn    3.093
_cod_original_formula_sum
'O24 (Si7.6 Al.4) Mg4.74 Fe.42 Ca1.4 Na1.32 Mn.06 K.1'
_cod_database_code               9013680
Structural and spectroscopic characterization of a suite of fibrous amphiboles with high environmental and health relevance from Biancaville (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 4
Andreozzi, G. B.; Ballirano, P.; Gianfagna, A.; Mazziotti-Tagliani S; Pacella, A.; American Mineralogist 94 (2009) 1333–1340; doi:10.2138/am.2009.3214

data_9013681
_publ_section_title
;Structural and spectroscopic characterization of a suite of fibrous
 amphiboles with high environmental and health relevance from Biancaville
 (Sicily, Italy) Locality: Biancaville, Sicily, Italy Sample Name: Sample 4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1340
_journal_paper_doi               10.2138/am.2009.3214
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Biancaville, Sicily, Italy'
_chemical_formula_sum
'Al0.4 Ca1.3 Fe0.6 K0.24 Mg4.6 Mn0.06 Na1.2 O24 Si7.6'
_chemical_name_mineral           Fluoro-edenite
_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                 104.403
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7935
_cell_length_b                   17.9728
_cell_length_c                   5.2746
_cell_volume                     899.237
_database_code_amcsd             0004978
_exptl_crystal_density_diffrn    3.124
_cod_original_formula_sum
'O24 (Si7.6 Al.4) Mg4.6 Fe.6 Ca1.3 Na1.2 Mn.06 K.24'
_cod_database_code               9013681
A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
Nagashima, M.; Geiger, C. A.; Akasaka, M.; American Mineralogist 94 (2009) 1351–1360; doi:10.2138/am.2009.3183

data_9013682
_publ_section_title
;
 A crystal-chemical investigation of clinozoisite synthesized
 along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1351
_journal_page_last               1360
_journal_paper_doi               10.2138/am.2009.3183
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.38 Ca2 Cr0.62 O13 Si3'
_chemical_name_mineral           Clinozoisite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.284
_cell_angle_gamma                90
_cell_length_a                   8.8889
_cell_length_b                   5.6058
_cell_length_c                   10.1513
_cell_formula_units_Z            2
_cell_volume                     457.375
_diffrn_ambient_pressure         1.2e+06
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.404
_exptl_crystal_pressure_history
;synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality:
 synthetic Note: T = 700 C, P = 1.2 GPa
;
_exptl_crystal_thermal_history
;synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Locality:
 synthetic Note: T = 700 C
;
_cod_original_formula_sum        'Ca2 Al2.38 Cr.62 Si3 O13'
_cod_database_code               9013682
_database_code_amcsd             0004979
A crystal-chemical investigation of clinozoisite synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700 C, P = 1.2 GPa
Nagashima, M.; Geiger, C. A.; Akasaka, M.; American Mineralogist 94 (2009) 1351–1360; doi:10.2138/am.2009.3183

data_9013683
_publ_section_title
;
 A crystal-chemical investigation of clinozoisite synthesized
 along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH)
 Note: T = 700 C, P = 1.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1351
_journal_page_last               1360
_journal_paper_doi               10.2138/am.2009.3183
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.5 Ca2 Cr0.5 O13 Si3'
_chemical_name_mineral           Clinozoisite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.322
_cell_angle_gamma                90
_cell_length_a                   8.8859
_cell_length_b                   5.6006
_cell_length_c                   10.1500
_cell_formula_units_Z            2
_cell_volume                     456.595
_database_code_amcsd             0004980
_diffrn_ambient_pressure         1.2e+06
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.388
_exptl_crystal_pressure_history
;synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700
 C, P = 1.2 GPa
;
_exptl_crystal_thermal_history
;synthesized along the join Ca2Al3Si3O12(OH)-Ca2Al2CrSi3O12(OH) Note: T = 700
 C
;
_cod_original_formula_sum        'Ca2 Al2.5 Cr.5 Si3 O13'
_cod_database_code               9013683