LMucko/crystallography-open-database huggingface dataset:
X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite
Cellai, D.; Gesing, T. M.; Wruck, B.; Carpenter, M. A.; American Mineralogist 84 (1999) 1950–1955; doi:

data_9002252
_publ_section_title
;X-ray study of the trigonal-hexagonal phase transition in metamorphic
 kalsilite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1950
_journal_page_last               1955
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al K O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1627
_cell_length_b                   5.1627
_cell_length_c                   8.706
_cell_formula_units_Z            2
_cell_volume                     200.957
_database_code_amcsd             0002336
_exptl_crystal_density_diffrn    2.614
_cod_original_formula_sum        'K Al Si O4'
_cod_database_code               9002252
An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.2
Ottolini, L.; Camara, F.; Bigi, S.; American Mineralogist 85 (2000) 89–102; doi:

data_9002253
_publ_section_title
;An investigation of matrix effects in the analysis of fluorine in
 humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              89
_journal_page_last               102
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'F1.28 H0.66 Mg9 O16.72 Si4'
_chemical_name_mineral           Chondrodite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.843
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7405
_cell_length_b                   10.2377
_cell_length_c                   13.6496
_cell_formula_units_Z            2
_cell_volume                     650.613
_database_code_amcsd             0002337
_exptl_crystal_density_diffrn    3.183
_cod_original_formula_sum        'Si4 Mg9 O16.72 F1.28 H.66'
_cod_database_code               9002253
An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.3
Ottolini, L.; Camara, F.; Bigi, S.; American Mineralogist 85 (2000) 89–102; doi:

data_9002254
_publ_section_title
;An investigation of matrix effects in the analysis of fluorine in
 humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              89
_journal_page_last               102
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'F1.04 H0.92 Mg9 O16.96 Si4'
_chemical_name_mineral           Clinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.843
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7396
_cell_length_b                   10.2328
_cell_length_c                   13.6439
_cell_formula_units_Z            2
_cell_volume                     649.907
_database_code_amcsd             0002338
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        'Si4 Mg9 O16.96 F1.04 H.92'
_cod_database_code               9002254
An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.3
Ottolini, L.; Camara, F.; Bigi, S.; American Mineralogist 85 (2000) 89–102; doi:

data_9002255
_publ_section_title
;An investigation of matrix effects in the analysis of fluorine in
 humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              89
_journal_page_last               102
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'F1.24 H0.76 Mg5 O8.76 Si2'
_chemical_name_mineral           Chondrodite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                109.076
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7230
_cell_length_b                   10.2584
_cell_length_c                   7.8504
_cell_formula_units_Z            2
_cell_volume                     359.468
_database_code_amcsd             0002339
_exptl_crystal_density_diffrn    3.161
_cod_original_formula_sum        'Si2 Mg5 O8.76 F1.24 H.76'
_cod_database_code               9002255
An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.4
Ottolini, L.; Camara, F.; Bigi, S.; American Mineralogist 85 (2000) 89–102; doi:

data_9002256
_publ_section_title
;An investigation of matrix effects in the analysis of fluorine in
 humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              89
_journal_page_last               102
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'F1.24 H0.76 Mg5 O8.76 Si2'
_chemical_name_mineral           Chondrodite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                109.076
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7226
_cell_length_b                   10.2564
_cell_length_c                   7.8490
_cell_formula_units_Z            2
_cell_volume                     359.304
_database_code_amcsd             0002340
_exptl_crystal_density_diffrn    3.163
_cod_original_formula_sum        'Si2 Mg5 O8.76 F1.24 H.76'
_cod_database_code               9002256
New data on the crystal-chemistry of fluoborite by means of SREF, SIMS and EMP analysis Sample: Fbor 2V-43 n.2
Camara, F.; Ottolini, L.; American Mineralogist 85 (2000) 103–107; doi:

data_9002257
_publ_section_title
;
 New data on the crystal-chemistry of fluoborite
 by means of SREF, SIMS and EMP analysis
 Sample: Fbor 2V-43 n.2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              103
_journal_page_last               107
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'B F3 H3 Mg3 O3'
_chemical_name_mineral           Fluoborite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.8612
_cell_length_b                   8.8612
_cell_length_c                   3.1021
_cell_formula_units_Z            2
_cell_volume                     210.946
_database_code_amcsd             0002341
_exptl_crystal_density_diffrn    3.019
_cod_original_formula_sum        'B Mg3 H3 O3 F3'
_cod_database_code               9002257
New data on the crystal-chemistry of fluoborite by means of SREF, SIMS and EMP analysis Sample: Fbor HV-43 n.3
Camara, F.; Ottolini, L.; American Mineralogist 85 (2000) 103–107; doi:

data_9002258
_publ_section_title
;
 New data on the crystal-chemistry of fluoborite
 by means of SREF, SIMS and EMP analysis
 Sample: Fbor HV-43 n.3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              103
_journal_page_last               107
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'B F3 H3 Mg3 O3'
_chemical_name_mineral           Fluoborite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.8602
_cell_length_b                   8.8602
_cell_length_c                   3.1021
_cell_formula_units_Z            2
_cell_volume                     210.898
_database_code_amcsd             0002342
_exptl_crystal_density_diffrn    3.019
_cod_original_formula_sum        'B Mg3 H3 O3 F3'
_cod_database_code               9002258
The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2 Sample: T = 10 K
Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.; American Mineralogist 85 (2000) 189–193; doi:

data_9002259
_publ_section_title
;
 The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2
 Sample: T = 10 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               193
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Fe H1.714 O2'
_chemical_name_mineral           Fe(OH)2
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.25919
_cell_length_b                   3.25919
_cell_length_c                   4.5765
_cell_formula_units_Z            1
_cell_volume                     42.100
_database_code_amcsd             0002343
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum        'H1.714 Fe O2'
_cod_database_code               9002259
_amcsd_formula_title             Fe(OH)2
The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2 Sample: T = 150 K
Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.; American Mineralogist 85 (2000) 189–193; doi:

data_9002260
_publ_section_title
;
 The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2
 Sample: T = 150 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               193
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Fe H1.726 O2'
_chemical_name_mineral           Fe(OH)2
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.26238
_cell_length_b                   3.26238
_cell_length_c                   4.5822
_cell_formula_units_Z            1
_cell_volume                     42.235
_database_code_amcsd             0002344
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    3.522
_cod_original_formula_sum        'H1.726 Fe O2'
_cod_database_code               9002260
_amcsd_formula_title             Fe(OH)2
The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2 Sample: T = 300 K
Parise, J. B.; Marshall, W. G.; Smith, R. I.; Lutz, H. D.; Moller, H.; American Mineralogist 85 (2000) 189–193; doi:

data_9002261
_publ_section_title
;
 The nuclear and magnetic structure of "white rust"-Fe(OH0.86D0.14)2
 Sample: T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              189
_journal_page_last               193
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Fe H1.728 O2'
_chemical_name_mineral           Fe(OH)2
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.26515
_cell_length_b                   3.26515
_cell_length_c                   4.6013
_cell_formula_units_Z            1
_cell_volume                     42.483
_database_code_amcsd             0002345
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    3.502
_cod_original_formula_sum        'H1.728 Fe O2'
_cod_database_code               9002261
_amcsd_formula_title             Fe(OH)2
The crystal structure of gearksutite, CaAlF4(OH).H2O
Marchetti, F.; Perchiazzi, N.; American Mineralogist 85 (2000) 231–235; doi:

data_9002262
_publ_section_title
;
 The crystal structure of gearksutite, CaAlF4(OH).H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              231
_journal_page_last               235
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al Ca F4 O2'
_chemical_name_mineral           Gearksutite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.12
_cell_angle_beta                 94.86
_cell_angle_gamma                110.07
_cell_formula_units_Z            2
_cell_length_a                   4.940
_cell_length_b                   6.810
_cell_length_c                   6.978
_cell_volume                     213.435
_database_code_amcsd             0002346
_exptl_crystal_density_diffrn    2.724
_cod_original_formula_sum        'Ca Al F4 O2'
_cod_database_code               9002262
A new anhydrous amphibole from the Eifel region, Germany: Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2 Note: M1A and M1 are interchanged in the bond length table
Hawthorne, F. C.; Cooper, M. A.; Grice, J. D.; Ottolini, L.; American Mineralogist 85 (2000) 236–241; doi:

data_9002263
_publ_section_title
;
 A new anhydrous amphibole from the Eifel region, Germany:
 Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2
 Note: M1A and M1 are interchanged in the bond length table
;
_journal_name_full               'American Mineralogist'
_journal_page_first              236
_journal_page_last               241
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Al0.03 Ca2 Fe0.71 K0.18 Mg2.13 Mn0.37 Na2.66 O24 Si8 Ti0.86'
_chemical_name_mineral           Obertiite
_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                 104.05
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.776
_cell_length_b                   17.919
_cell_length_c                   5.292
_cell_volume                     899.299
_database_code_amcsd             0002347
_exptl_crystal_density_diffrn    3.363
_cod_original_formula_sum
'O24 Si8 Ti.86 Mn.37 Mg2.13 Fe.71 Al.03 Na2.66 Ca2 K.18'
_cod_database_code               9002263
Kinoshitalite, Ba(Mg)3(Al2Si2)O10(OH,F)2, a brittle mica from a manganese deposit in Oman: Paragenesis and crystal chemistry
Gnos, E.; Armbruster, T.; American Mineralogist 85 (2000) 242–250; doi:

data_9002264
_publ_section_title
;
 Kinoshitalite, Ba(Mg)3(Al2Si2)O10(OH,F)2, a brittle mica from a manganese
 deposit in Oman: Paragenesis and crystal chemistry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              242
_journal_page_last               250
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al2 Ba0.94 H2 K0.06 Mg2.744 Mn0.256 O12 Si2'
_chemical_name_mineral           Kinoshitalite
_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                 100.06
_cell_angle_gamma                90
_cell_length_a                   5.316
_cell_length_b                   9.230
_cell_length_c                   10.197
_cell_formula_units_Z            2
_cell_volume                     492.641
_database_code_amcsd             0002348
_exptl_crystal_density_diffrn    3.481
_cod_original_cell_volume        492.640
_cod_original_formula_sum
'(Ba.94 K.06) (Mg2.744 Mn.256) (Si2 Al2) H2 O12'
_cod_database_code               9002264
The crystal structure of parisite-(Ce), Ce2CaF(CO3)3 sample: from Muso Mine, Columbia
Ni, Y.; Post, J. E.; Hughes, J. M.; American Mineralogist 85 (2000) 251–258; doi:

data_9002265
_publ_section_title
;
 The crystal structure of parisite-(Ce), Ce2CaF(CO3)3
 sample: from Muso Mine, Columbia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              251
_journal_page_last               258
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'C3 Ca0.977 Ce2.023 F2 O9'
_chemical_name_mineral           Parisite-(Ce)
_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                 98.2416
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   12.3049
_cell_length_b                   7.1056
_cell_length_c                   28.2478
_cell_volume                     2444.302
_database_code_amcsd             0002349
_exptl_crystal_density_diffrn    4.408
_cod_original_formula_sum        'Ce2.023 Ca.977 F2 O9 C3'
_cod_database_code               9002265
High-pressure synthesis of Na2Mg6Si6O18(OH)2 - a new hydrous silicate phase isostructural with aenigmatite
Yang, H.; Konzett, J.; American Mineralogist 85 (2000) 259–262; doi:

data_9002266
_publ_section_title
;
 High-pressure synthesis of Na2Mg6Si6O18(OH)2 - a new hydrous silicate phase
 isostructural with aenigmatite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              259
_journal_page_last               262
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al0.08 H2 Mg5.92 Na2 O20 Si6'
_chemical_name_mineral           Aenigmatite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.280
_cell_angle_beta                 96.712
_cell_angle_gamma                125.256
_cell_length_a                   10.2925
_cell_length_b                   10.7052
_cell_length_c                   8.8027
_cell_formula_units_Z            2
_cell_volume                     718.083
_database_code_amcsd             0002350
_exptl_crystal_density_diffrn    3.157
_cod_original_formula_sum        'Mg5.92 Al.08 Na2 Si6 H2 O20'
_cod_database_code               9002266
A Crystal Chemical re-evaluation of amphibole/melt and amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 1
Oberti, R.; Vannucci, R.; Zanetti, A.; Tiepolo, M.; Brumm, R. C.; American Mineralogist 85 (2000) 407–419; doi:

data_9002267
_publ_section_title
;A Crystal Chemical re-evaluation of amphibole/melt and
 amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              407
_journal_page_last               419
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Al2.65 Ca3.61 Fe1.35 H2 Mg3.27 Na1.33 O24 Si6 Ti0.45'
_chemical_name_mineral           Pargasite
_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                 105.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.846
_cell_length_b                   18.042
_cell_length_c                   5.316
_cell_volume                     911.737
_database_code_amcsd             0002351
_exptl_crystal_density_diffrn    3.561
_cod_original_formula_sum
'O24 Si6 Al2.65 Fe1.35 Ti.45 Mg3.27 Ca3.61 Na1.33 H2'
_cod_database_code               9002267
A Crystal Chemical re-evaluation of amphibole/melt and amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 2
Oberti, R.; Vannucci, R.; Zanetti, A.; Tiepolo, M.; Brumm, R. C.; American Mineralogist 85 (2000) 407–419; doi:

data_9002268
_publ_section_title
;A Crystal Chemical re-evaluation of amphibole/melt and
 amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              407
_journal_page_last               419
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Al2.78 Ca3.2 Fe2.26 H2 K0.5 Mg2.16 Na1.25 O24 Si5.92 Ti0.6'
_chemical_name_mineral           Pargasite
_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                 105.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.858
_cell_length_b                   18.031
_cell_length_c                   5.307
_cell_volume                     910.618
_database_code_amcsd             0002352
_exptl_crystal_density_diffrn    3.688
_cod_original_formula_sum
'O24 Si5.92 Al2.78 Ti.6 Fe2.26 Mg2.16 Ca3.2 Na1.25 K.5 H2'
_cod_database_code               9002268
A Crystal Chemical re-evaluation of amphibole/melt and amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 3
Oberti, R.; Vannucci, R.; Zanetti, A.; Tiepolo, M.; Brumm, R. C.; American Mineralogist 85 (2000) 407–419; doi:

data_9002269
_publ_section_title
;A Crystal Chemical re-evaluation of amphibole/melt and
 amphibole/clinopyroxene DTi values in petrogenetic studies SAMPLE 3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              407
_journal_page_last               419
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Al2.7 Ca3.2 F0.02 Fe1.95 H2 K0.38 Mg2.47 Na1.36 O23.98 Si6 Ti0.6'
_chemical_name_mineral           Pargasite
_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                 105.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.850
_cell_length_b                   18.046
_cell_length_c                   5.3160
_cell_volume                     912.309
_database_code_amcsd             0002353
_exptl_crystal_density_diffrn    3.638
_cod_original_formula_sum
'O23.98 F.02 Si6 Al2.7 Fe1.95 Ti.6 Mg2.47 Ca3.2 Na1.36 K.38 H2'
_cod_database_code               9002269