LMucko/crystallography-open-database huggingface dataset:
Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 632 K
Cruciani, G.; Gualtieri, A.; American Mineralogist 84 (1999) 112–119; doi:

data_9002001
_publ_section_title
;
 Dehydration dynamics of analcime by in situ synchrotron powder diffraction
 Sample at T = 632 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              112
_journal_page_last               119
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.95 H4 Na0.9 O6.22 Si2.05'
_chemical_name_mineral           Analcime
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.6717
_cell_length_b                   13.6717
_cell_length_c                   13.5996
_cell_volume                     2541.974
_diffrn_ambient_temperature      632
_exptl_crystal_density_diffrn    2.168
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        '(Si2.05 Al.95) Na.9 O6.22 H4'
_cod_database_code               9002001
Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 921 K
Cruciani, G.; Gualtieri, A.; American Mineralogist 84 (1999) 112–119; doi:

data_9002002
_publ_section_title
;
 Dehydration dynamics of analcime by in situ synchrotron powder diffraction
 Sample at T = 921 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              112
_journal_page_last               119
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.9 Na1.86 O12 Si4.1'
_chemical_name_mineral           Analcime
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.6251
_cell_length_b                   13.6251
_cell_length_c                   13.5870
_cell_volume                     2522.336
_database_code_amcsd             0002064
_diffrn_ambient_temperature      921
_exptl_crystal_density_diffrn    2.113
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        '(Si4.1 Al1.9) Na1.86 O12'
_cod_database_code               9002002
High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, single Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002003
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 20 C, single Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.16 O8 Pb Si2.84'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.30
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.402
_cell_length_b                   13.043
_cell_length_c                   14.308
_cell_volume                     1417.579
_database_code_amcsd             0002065
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    4.182
_cod_original_formula_sum        'Pb (Si2.84 Al1.16) O8'
_cod_database_code               9002003
High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, single Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002004
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 230 C, single Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.16 O8 Pb Si2.84'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.34
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.422
_cell_length_b                   13.045
_cell_length_c                   14.310
_cell_volume                     1420.900
_database_code_amcsd             0002066
_diffrn_ambient_temperature      503.15
_exptl_crystal_density_diffrn    4.172
_cod_original_formula_sum        'Pb (Si2.84 Al1.16) O8'
_cod_database_code               9002004
High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, single Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002005
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 465 C, single Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al1.16 O8 Pb Si2.84'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.33
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.440
_cell_length_b                   13.051
_cell_length_c                   14.325
_cell_volume                     1426.203
_database_code_amcsd             0002067
_diffrn_ambient_temperature      738.15
_exptl_crystal_density_diffrn    4.157
_cod_original_formula_sum        'Pb (Si2.84 Al1.16) O8'
_cod_database_code               9002005
High-temperature in situ structural investigation on lead feldspar Sample at T = 700 C, single Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002006
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 700 C, single Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.58 O4 Pb Si1.42'
_chemical_name_mineral           Feldspar
_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                 115.25
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.448
_cell_length_b                   13.057
_cell_length_c                   7.166
_cell_volume                     714.926
_database_code_amcsd             0002068
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    6.071
_cod_original_formula_sum        'Pb (Si1.42 Al.58) O4'
_cod_database_code               9002006
High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, split Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002007
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 20 C, split Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.58 O4 Pb0.5 Si1.42'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.30
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.402
_cell_length_b                   13.043
_cell_length_c                   14.308
_cell_volume                     1417.579
_database_code_amcsd             0002069
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    4.182
_cod_original_formula_sum        'Pb.5 (Si1.42 Al.58) O4'
_cod_database_code               9002007
High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, split Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002008
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 230 C, split Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.58 O4 Pb0.5 Si1.42'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.34
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.422
_cell_length_b                   13.045
_cell_length_c                   14.310
_cell_volume                     1420.900
_database_code_amcsd             0002070
_diffrn_ambient_temperature      503.15
_exptl_crystal_density_diffrn    4.172
_cod_original_formula_sum        'Pb.5 (Si1.42 Al.58) O4'
_cod_database_code               9002008
High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, split Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002009
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 465 C, split Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.58 O4 Pb0.5 Si1.42'
_chemical_name_mineral           Feldspar
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.33
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.440
_cell_length_b                   13.051
_cell_length_c                   14.325
_cell_volume                     1426.203
_database_code_amcsd             0002071
_diffrn_ambient_temperature      738.15
_exptl_crystal_density_diffrn    4.157
_cod_original_formula_sum        'Pb.5 (Si1.42 Al.58) O4'
_cod_database_code               9002009
High-temperature in situ structural investigation on lead feldspar Sample at T = 700 C, split Pb atom model
Benna, P.; Tribaudino, M.; Bruno, E.; American Mineralogist 84 (1999) 120–129; doi:

data_9002010
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 700 C, split Pb atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               129
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.29 O2 Pb0.5 Si0.71'
_chemical_name_mineral           Feldspar
_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                 115.25
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.448
_cell_length_b                   13.057
_cell_length_c                   7.166
_cell_volume                     714.926
_database_code_amcsd             0002072
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    6.071
_cod_original_formula_sum        'Pb.5 (Si.71 Al.29) O2'
_cod_database_code               9002010
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 0 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002011
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7131
_cell_length_b                   10.0190
_cell_length_c                   3.7363
_cell_formula_units_Z            4
_cell_volume                     363.600
_database_code_amcsd             0002073
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.655
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002011
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 1.03 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002012
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 1.03 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6944
_cell_length_b                   9.9924
_cell_length_c                   3.7316
_cell_formula_units_Z            4
_cell_volume                     361.481
_database_code_amcsd             0002074
_diffrn_ambient_pressure         1.03e+06
_exptl_crystal_density_diffrn    3.676
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002012
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 2.16 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002013
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 2.16 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6739
_cell_length_b                   9.9651
_cell_length_c                   3.7265
_cell_formula_units_Z            4
_cell_volume                     359.240
_database_code_amcsd             0002075
_diffrn_ambient_pressure         2.16e+06
_exptl_crystal_density_diffrn    3.699
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002013
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 3.22 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002014
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 3.22 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6540
_cell_length_b                   9.9387
_cell_length_c                   3.7218
_cell_formula_units_Z            4
_cell_volume                     357.100
_database_code_amcsd             0002076
_diffrn_ambient_pressure         3.22e+06
_exptl_crystal_density_diffrn    3.721
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002014
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 4.34 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002015
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 4.34 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6349
_cell_length_b                   9.9143
_cell_length_c                   3.7168
_cell_formula_units_Z            4
_cell_volume                     355.041
_database_code_amcsd             0002077
_diffrn_ambient_pressure         4.34e+06
_exptl_crystal_density_diffrn    3.743
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002015
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 6.20 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002016
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 6.20 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.5992
_cell_length_b                   9.8667
_cell_length_c                   3.7085
_cell_formula_units_Z            4
_cell_volume                     351.241
_database_code_amcsd             0002078
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    3.783
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002016
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P600, x(Ti) in M1 = .070, P = 7.51 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002017
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P600, x(Ti) in M1 = .070, P = 7.51 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.5754
_cell_length_b                   9.8352
_cell_length_c                   3.7029
_cell_formula_units_Z            4
_cell_volume                     348.724
_database_code_amcsd             0002079
_diffrn_ambient_pressure         7.51e+06
_exptl_crystal_density_diffrn    3.811
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002017
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002018
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7602
_cell_length_b                   9.9796
_cell_length_c                   3.7479
_cell_formula_units_Z            4
_cell_volume                     365.056
_database_code_amcsd             0002080
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.640
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002018