LMucko/crystallography-open-database huggingface dataset:
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0 GPa
Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.; American Mineralogist 88 (2003) 1446–1451; doi:

data_9003083
_publ_section_title
;
 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
 and local structural changes around hydrogen atoms
 Sample: at P = 0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     K(HCO3)
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           'Kalicinite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.538
_cell_angle_gamma                90
_cell_length_a                   15.192
_cell_length_b                   5.6290
_cell_length_c                   3.7067
_cell_formula_units_Z            4
_cell_volume                     306.832
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    2.189
_cod_original_formula_sum        'K C D O3'
_cod_database_code               9003083
_database_code_amcsd 0003172
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0.2 GPa
Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.; American Mineralogist 88 (2003) 1446–1451; doi:

data_9003084
_publ_section_title
;
 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
 and local structural changes around hydrogen atoms
 Sample: at P = 0.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     K(HCO3)
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           'Kalicinite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.19
_cell_angle_gamma                90
_cell_length_a                   15.103
_cell_length_b                   5.6152
_cell_length_c                   3.6963
_cell_formula_units_Z            4
_cell_volume                     303.905
_diffrn_ambient_pressure         2e+05
_exptl_crystal_density_diffrn    2.210
_cod_original_formula_sum        'K C D O3'
_cod_database_code               9003084
_database_code_amcsd 0003173
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 1.8 GPa
Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.; American Mineralogist 88 (2003) 1446–1451; doi:

data_9003085
_publ_section_title
;
 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
 and local structural changes around hydrogen atoms
 Sample: at P = 1.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     K(HCO3)
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           'Kalicinite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.87
_cell_angle_gamma                90
_cell_length_a                   14.746
_cell_length_b                   5.555
_cell_length_c                   3.6452
_cell_formula_units_Z            4
_cell_volume                     291.092
_diffrn_ambient_pressure         1.8e+06
_exptl_crystal_density_diffrn    2.307
_cod_original_formula_sum        'K C D O3'
_cod_database_code               9003085
_database_code_amcsd 0003174
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa
Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.; American Mineralogist 88 (2003) 1446–1451; doi:

data_9003086
_publ_section_title
;
 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
 and local structural changes around hydrogen atoms
 Sample: at P = 2.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     K(HCO3)
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           'Kalicinite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.94
_cell_angle_gamma                90
_cell_length_a                   14.481
_cell_length_b                   5.510
_cell_length_c                   3.616
_cell_formula_units_Z            4
_cell_volume                     282.280
_diffrn_ambient_pressure         2.3e+06
_exptl_crystal_density_diffrn    2.379
_cod_original_formula_sum        'K C D O3'
_cod_database_code               9003086
_database_code_amcsd 0003175
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.5 GPa
Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B.; American Mineralogist 88 (2003) 1446–1451; doi:

data_9003087
_publ_section_title
;
 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
 and local structural changes around hydrogen atoms
 Sample: at P = 2.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1446
_journal_page_last               1451
_journal_volume                  88
_journal_year                    2003
_chemical_formula_structural     K(HCO3)
_chemical_formula_sum            'C D K O3'
_chemical_name_mineral           'Kalicinite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.64
_cell_angle_gamma                90
_cell_length_a                   14.379
_cell_length_b                   5.494
_cell_length_c                   3.609
_cell_formula_units_Z            4
_cell_volume                     279.241
_diffrn_ambient_pressure         2.5e+06
_exptl_crystal_density_diffrn    2.405
_cod_original_formula_sum        'K C D O3'
_cod_database_code               9003087
_database_code_amcsd 0003176
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 20 C
Benna, P.; Bruno, E.; American Mineralogist 88 (2003) 1532–1541; doi:

data_9003088
_publ_section_title
;Single-crystal in situ high-temperature structural investigation of the I-1 -
 I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 20 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1532
_journal_page_last               1541
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_chemical_name_mineral           Feldspar
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.79
_cell_angle_beta                 115.55
_cell_angle_gamma                90.62
_cell_formula_units_Z            8
_cell_length_a                   8.361
_cell_length_b                   12.973
_cell_length_c                   14.259
_cell_volume                     1395.014
_database_code_amcsd             0003177
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    3.011
_cod_original_formula_sum        '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9003088
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 200 C
Benna, P.; Bruno, E.; American Mineralogist 88 (2003) 1532–1541; doi:

data_9003089
_publ_section_title
;Single-crystal in situ high-temperature structural investigation of the I-1 -
 I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1532
_journal_page_last               1541
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_chemical_name_mineral           Feldspar
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.68
_cell_angle_beta                 115.51
_cell_angle_gamma                90.54
_cell_formula_units_Z            8
_cell_length_a                   8.367
_cell_length_b                   12.968
_cell_length_c                   14.266
_cell_volume                     1396.723
_database_code_amcsd             0003178
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    3.008
_cod_original_formula_sum        '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9003089
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 400 C
Benna, P.; Bruno, E.; American Mineralogist 88 (2003) 1532–1541; doi:

data_9003090
_publ_section_title
;Single-crystal in situ high-temperature structural investigation of the I-1 -
 I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 400 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1532
_journal_page_last               1541
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_chemical_name_mineral           Feldspar
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.46
_cell_angle_beta                 115.49
_cell_angle_gamma                90.30
_cell_formula_units_Z            8
_cell_length_a                   8.377
_cell_length_b                   12.971
_cell_length_c                   14.275
_cell_volume                     1400.001
_database_code_amcsd             0003179
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.001
_cod_original_formula_sum        '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9003090
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 500 C
Benna, P.; Bruno, E.; American Mineralogist 88 (2003) 1532–1541; doi:

data_9003091
_publ_section_title
;Single-crystal in situ high-temperature structural investigation of the I-1 -
 I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1532
_journal_page_last               1541
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_chemical_name_mineral           Feldspar
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.11
_cell_angle_beta                 115.48
_cell_angle_gamma                90.06
_cell_formula_units_Z            8
_cell_length_a                   8.379
_cell_length_b                   12.971
_cell_length_c                   14.278
_cell_volume                     1400.851
_database_code_amcsd             0003180
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    2.999
_cod_original_cell_volume        1400.850
_cod_original_formula_sum        '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9003091
Single-crystal in situ high-temperature structural investigation of the I-1 - I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 620 C
Benna, P.; Bruno, E.; American Mineralogist 88 (2003) 1532–1541; doi:

data_9003092
_publ_section_title
;Single-crystal in situ high-temperature structural investigation of the I-1 -
 I2/c phase transition in Ca0.2Sr0.8Al2Si2O8 feldspar T = 620 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1532
_journal_page_last               1541
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 Ca0.2 O8 Si2 Sr0.8'
_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                 115.46
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.386
_cell_length_b                   12.970
_cell_length_c                   14.283
_cell_volume                     1402.643
_database_code_amcsd             0003181
_diffrn_ambient_temperature      893.15
_exptl_crystal_density_diffrn    2.995
_cod_original_cell_volume        1402.642
_cod_original_formula_sum        '(Ca.2 Sr.8) Si2 Al2 O8'
_cod_database_code               9003092
Woodruffite: A new Mn oxide structure with 3x4 tunnels Sample: at T = 100 K
Post, J. E.; Heaney, P. J.; Cahill, C. L.; Finger, L. W.; American Mineralogist 88 (2003) 1697–1702; doi:

data_9003093
_publ_section_title
;
 Woodruffite: A new Mn oxide structure with 3x4 tunnels
 Sample: at T = 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1697
_journal_page_last               1702
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'H20 Mn6.88 O19.36 Zn1.405'
_chemical_name_mineral           Woodruffite
_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                 93.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.765
_cell_length_b                   2.8473
_cell_length_c                   9.559
_cell_volume                     672.579
_database_code_amcsd             0003182
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.949
_cod_original_formula_sum        'Mn6.88 Zn1.405 O19.36 H20'
_cod_database_code               9003093
Calderonite, a new lead-iron-vanadate of the brackebuschite group
Gonzalez del Tanago, J.; La Iglesia, A.; Rius, J.; Santin, S. F.; American Mineralogist 88 (2003) 1703–1708; doi:

data_9003094
_publ_section_title
;
 Calderonite, a new lead-iron-vanadate of the brackebuschite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1703
_journal_page_last               1708
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H O9 Pb1.937 V1.912'
_chemical_name_mineral           Calderonite
_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                 112.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.649
_cell_length_b                   6.101
_cell_length_c                   8.904
_cell_volume                     384.635
_database_code_amcsd             0003183
_exptl_crystal_density_diffrn    6.041
_cod_original_cell_volume        384.634
_cod_original_formula_sum        'V1.912 Fe Pb1.937 O9 H'
_cod_database_code               9003094
Crystal structure of protoanthophyllite: A new mineral from the Takese ultramafic complex, Japan
Konishi, H.; Groy, T. L.; Dodony, I.; Miyawaki, R.; Matsubara, S.; Buseck, P. R.; American Mineralogist 88 (2003) 1718–1723; doi:

data_9003095
_publ_section_title
;Crystal structure of protoanthophyllite: A new mineral from the Takese
 ultramafic complex, Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1718
_journal_page_last               1723
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al0.048 Fe0.622 H2 Mg6.378 Na0.048 O24 Si7.96'
_chemical_name_mineral           Protoanthophyllite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2n'
_symmetry_space_group_name_H-M   'P n m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.3553
_cell_length_b                   17.9308
_cell_length_c                   5.3117
_cell_formula_units_Z            2
_cell_volume                     891.027
_database_code_amcsd             0003184
_exptl_crystal_density_diffrn    2.988
_cod_original_formula_sum        'Mg6.378 Fe.622 Si7.96 Al.048 O24 H2 Na.048'
_cod_database_code               9003095
Alacranite, As8S9: structural study of the holotype and re-assignment of the original chemical formula
Bonazzi, P.; Bindi, L.; Popova, V.; Pratesi, G.; Menchetti, S.; American Mineralogist 88 (2003) 1796–1800; doi:

data_9003096
_publ_section_title
;
 Alacranite, As8S9: structural study of the holotype and re-assignment
 of the original chemical formula
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1796
_journal_page_last               1800
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'As8 S9'
_chemical_name_mineral           Alacranite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.94
_cell_angle_gamma                90
_cell_length_a                   9.942
_cell_length_b                   9.601
_cell_length_c                   9.178
_cell_formula_units_Z            2
_cell_volume                     857.115
_database_code_amcsd             0003185
_exptl_crystal_density_diffrn    3.441
_cod_database_code               9003096
Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and asbestiform amphiboles from Libby, Montana, U.S.A.
Gunter, M. E.; Dyar, M. D.; Twamley, B.; Foit, F. F.; Cornelius, S.; American Mineralogist 88 (2003) 1970–1978; doi:

data_9003097
_publ_section_title
;
 Composition, Fe3+/Sum(Fe), and crystal structure of non-asbestiform and
 asbestiform amphiboles from Libby, Montana, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1970
_journal_page_last               1978
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum
'Al0.06 Ca1.12 Fe0.52 H2 K0.2 Mg4.46 Mn0.04 Na1.12 O24 Si7.96'
_chemical_name_mineral           Richterite
_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                 104.377
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8787
_cell_length_b                   18.024
_cell_length_c                   5.2875
_cell_volume                     911.975
_database_code_amcsd             0003186
_exptl_crystal_density_diffrn    3.020
_cod_original_formula_sum
'Si7.96 Al.06 Mg4.46 Fe.52 Mn.04 Ca1.12 Na1.12 K.2 O24 H2'
_cod_database_code               9003097
Indialite in xenolithic rocks from Somma-Vesuvius volcano (Southern Italy): Crystal chemistry and petrogenetic features
Balassone, G.; Franco, E.; Mattia, C. A.; Puliti, R.; American Mineralogist 89 (2004) 1–6; doi:

data_9003098
_publ_section_title
;
 Indialite in xenolithic rocks from Somma-Vesuvius volcano (Southern Italy):
 Crystal chemistry and petrogenetic features
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al4.251 Ca0.084 Fe0.06 K0.336 Mg1.94 O18 Si4.749'
_chemical_name_mineral           Indialite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.775
_cell_length_b                   9.775
_cell_length_c                   9.354
_cell_volume                     774.037
_database_code_amcsd             0003187
_exptl_crystal_density_diffrn    2.588
_cod_original_formula_sum
'(Al4.251 Si4.749) (Mg1.94 Fe.06) O18 K.336 Ca.084'
_cod_database_code               9003098
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 30 C
Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.; American Mineralogist 89 (2004) 94–101; doi:

data_9003099
_publ_section_title
;Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray
 diffraction study Sample: T = 30 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.892
_cell_angle_beta                 114.423
_cell_angle_gamma                89.955
_cell_formula_units_Z            2
_cell_length_a                   8.6121
_cell_length_b                   4.9579
_cell_length_c                   7.6040
_cell_volume                     295.621
_database_code_amcsd             0003188
_diffrn_ambient_temperature      303.15
_exptl_crystal_density_diffrn    2.293
_cod_original_formula_sum        'Li Al Si2 O7 H2'
_cod_database_code               9003099