LMucko/crystallography-open-database huggingface dataset:
Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 350 C, Path 2, synthesised from gismondine
Wadoski-Romeijn E; Armbruster, T.; American Mineralogist 98 (2013) 1988–1997; doi:

data_9016972
_publ_section_title
;
 Topotactic transformation and dehydration of the zeolite gismondine
 to a novel Ca feldspar structure
 Note: T = 350 C, Path 2, synthesised from gismondine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1988
_journal_page_last               1997
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Rio Pian del Foco, Genova province, Italy'
_chemical_formula_sum            'Al Ca0.5 O4 Si'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.26
_cell_angle_beta                 116.37
_cell_angle_gamma                88.72
_cell_formula_units_Z            8
_cell_length_a                   8.152
_cell_length_b                   12.917
_cell_length_c                   7.126
_cell_volume                     671.192
_database_code_amcsd             0020104
_diffrn_ambient_temperature      623.15
_exptl_crystal_density_diffrn    2.753
_cod_data_source_file            inputs/fixed/downloads/05/05603.cif
_cod_data_source_block           05603
_cod_original_formula_sum        'Al Si Ca.5 O4'
_cod_database_code               9016972
New morphological, chemical, and structural data of woolly erionite-Na from Durkee, Oregon, U.S.A.
Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P.; American Mineralogist 98 (2013) 2155–2163; doi:

data_9016973
_publ_section_title
;
 New morphological, chemical, and structural data of
 woolly erionite-Na from Durkee, Oregon, U.S.A.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2155
_journal_page_last               2163
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Durkee, Oregon, USA'
_chemical_formula_sum
'Al3.735 H31.134 K Mg0.222 Na2.484 O51.567 Si14.265'
_chemical_name_mineral           Erionite-Na
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_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                   13.23574
_cell_length_b                   13.23574
_cell_length_c                   15.06516
_cell_volume                     2285.603
_database_code_amcsd             0020041
_exptl_crystal_density_diffrn    2.121
_cod_data_source_file            inputs/fixed/downloads/05/05604.cif
_cod_data_source_block           05604
_cod_original_formula_sum
'Mg.222 Na2.484 K (Si14.265 Al3.735) O51.567 H31.134'
_cod_database_code               9016973
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 1
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016974
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.27 Ca O6.135'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3363
_cell_length_b                   12.3363
_cell_length_c                   7.3448
_cell_volume                     1117.763
_database_code_amcsd             0020071
_exptl_crystal_density_diffrn    1.980
_cod_data_source_file            inputs/fixed/downloads/05/05605.cif
_cod_data_source_block           05605
_cod_original_formula_sum        'Ca C2 O6.135 H4.27'
_cod_database_code               9016974
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 2
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016975
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.4 Ca O6.2'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3543
_cell_length_b                   12.3543
_cell_length_c                   7.3547
_cell_volume                     1122.539
_database_code_amcsd             0020072
_exptl_crystal_density_diffrn    1.985
_cod_data_source_file            inputs/fixed/downloads/05/05606.cif
_cod_data_source_block           05606
_cod_original_cell_volume        1122.538
_cod_original_formula_sum        'Ca C2 O6.2 H4.4'
_cod_database_code               9016975
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 3
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016976
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.38 Ca O6.19'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3462
_cell_length_b                   12.3462
_cell_length_c                   7.3535
_cell_volume                     1120.884
_database_code_amcsd             0020073
_exptl_crystal_density_diffrn    1.986
_cod_data_source_file            inputs/fixed/downloads/05/05607.cif
_cod_data_source_block           05607
_cod_original_formula_sum        'Ca C2 O6.19 H4.38'
_cod_database_code               9016976
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 4
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016977
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.39 Ca O6.195'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3530
_cell_length_b                   12.3530
_cell_length_c                   7.3594
_cell_volume                     1123.019
_database_code_amcsd             0020074
_exptl_crystal_density_diffrn    1.983
_cod_data_source_file            inputs/fixed/downloads/05/05608.cif
_cod_data_source_block           05608
_cod_original_formula_sum        'Ca C2 O6.195 H4.39'
_cod_database_code               9016977
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 5
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016978
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.4 Ca O6.2'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3528
_cell_length_b                   12.3528
_cell_length_c                   7.3569
_cell_volume                     1122.602
_database_code_amcsd             0020075
_exptl_crystal_density_diffrn    1.985
_cod_data_source_file            inputs/fixed/downloads/05/05609.cif
_cod_data_source_block           05609
_cod_original_formula_sum        'Ca C2 O6.2 H4.4'
_cod_database_code               9016978
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 6
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016979
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.39 Ca O6.195'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3542
_cell_length_b                   12.3542
_cell_length_c                   7.3604
_cell_volume                     1123.390
_database_code_amcsd             0020076
_exptl_crystal_density_diffrn    1.982
_cod_data_source_file            inputs/fixed/downloads/05/05610.cif
_cod_data_source_block           05610
_cod_original_formula_sum        'Ca C2 O6.195 H4.39'
_cod_database_code               9016979
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 7
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016980
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.47 Ca O6.235'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.3565
_cell_length_b                   12.3565
_cell_length_c                   7.3592
_cell_volume                     1123.625
_database_code_amcsd             0020077
_exptl_crystal_density_diffrn    1.990
_cod_data_source_file            inputs/fixed/downloads/05/05611.cif
_cod_data_source_block           05611
_cod_original_formula_sum        'Ca C2 O6.235 H4.47'
_cod_database_code               9016980
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 8
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016981
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 8
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.43 Ca O6.215'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3443
_cell_length_b                   12.3443
_cell_length_c                   7.3599
_cell_volume                     1121.514
_database_code_amcsd             0020078
_exptl_crystal_density_diffrn    1.990
_cod_data_source_file            inputs/fixed/downloads/05/05612.cif
_cod_data_source_block           05612
_cod_original_formula_sum        'Ca C2 O6.215 H4.43'
_cod_database_code               9016981
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 9
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016982
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 9
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.46 Ca O6.23'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3573
_cell_length_b                   12.3573
_cell_length_c                   7.3587
_cell_volume                     1123.695
_database_code_amcsd             0020079
_exptl_crystal_density_diffrn    1.989
_cod_data_source_file            inputs/fixed/downloads/05/05613.cif
_cod_data_source_block           05613
_cod_original_formula_sum        'Ca C2 O6.23 H4.46'
_cod_database_code               9016982
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 10
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016983
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.39 Ca O6.195'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3558
_cell_length_b                   12.3558
_cell_length_c                   7.3601
_cell_volume                     1123.636
_database_code_amcsd             0020080
_exptl_crystal_density_diffrn    1.982
_cod_data_source_file            inputs/fixed/downloads/05/05614.cif
_cod_data_source_block           05614
_cod_original_cell_volume        1123.635
_cod_original_formula_sum        'Ca C2 O6.195 H4.39'
_cod_database_code               9016983
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 11
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016984
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.52 Ca O6.26'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3576
_cell_length_b                   12.3576
_cell_length_c                   7.3578
_cell_volume                     1123.612
_database_code_amcsd             0020081
_exptl_crystal_density_diffrn    1.996
_cod_data_source_file            inputs/fixed/downloads/05/05615.cif
_cod_data_source_block           05615
_cod_original_formula_sum        'Ca C2 O6.26 H4.52'
_cod_database_code               9016984
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 12
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016985
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.51 Ca O6.255'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3567
_cell_length_b                   12.3567
_cell_length_c                   7.3573
_cell_volume                     1123.372
_database_code_amcsd             0020082
_exptl_crystal_density_diffrn    1.995
_cod_data_source_file            inputs/fixed/downloads/05/05616.cif
_cod_data_source_block           05616
_cod_original_formula_sum        'Ca C2 O6.255 H4.51'
_cod_database_code               9016985
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 13
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016986
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 13
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.52 Ca O6.26'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.3622
_cell_length_b                   12.3622
_cell_length_c                   7.3603
_cell_volume                     1124.830
_database_code_amcsd             0020083
_exptl_crystal_density_diffrn    1.994
_cod_data_source_file            inputs/fixed/downloads/05/05617.cif
_cod_data_source_block           05617
_cod_original_formula_sum        'Ca C2 O6.26 H4.52'
_cod_database_code               9016986
_cell_formula_units_Z 8
Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 14
Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O; American Mineralogist 99 (2014) 2–7; doi:

data_9016987
_publ_section_title
;
 Weddellite from renal stones: Structure refinement and dependence of
 crystal chemical features on H2O content.
 Note: Sample 14
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2
_journal_page_last               7
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'oxalic renal stones of St. Petersburg citizens aged 24-65 years'
_chemical_formula_sum            'C2 H4.54 Ca O6.27'
_chemical_name_mineral           Weddellite
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.363
_cell_length_b                   12.363
_cell_length_c                   7.3460
_cell_volume                     1122.790
_database_code_amcsd             0020084
_exptl_crystal_density_diffrn    1.999
_cod_data_source_file            inputs/fixed/downloads/05/05618.cif
_cod_data_source_block           05618
_cod_original_formula_sum        'Ca C2 O6.27 H4.54'
_cod_database_code               9016987