LMucko/crystallography-open-database huggingface dataset:
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 405 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004045
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 405 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.776 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6414
_cell_length_b                   12.6414
_cell_length_c                   5.1580
_cell_volume                     713.842
_database_code_amcsd             0004169
_diffrn_ambient_temperature      678.15
_exptl_crystal_density_diffrn    2.381
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.76 O14.776 H1.78'
_cod_database_code               9004045
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 496 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004046
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 496 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.568 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6538
_cell_length_b                   12.6538
_cell_length_c                   5.1736
_cell_volume                     717.407
_database_code_amcsd             0004170
_diffrn_ambient_temperature      769.15
_exptl_crystal_density_diffrn    2.354
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.76 O14.568 H1.78'
_cod_database_code               9004046
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 511 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004047
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 511 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.534 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6508
_cell_length_b                   12.6508
_cell_length_c                   5.1707
_cell_volume                     716.665
_database_code_amcsd             0004171
_diffrn_ambient_temperature      784.15
_exptl_crystal_density_diffrn    2.354
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.76 O14.534 H1.78'
_cod_database_code               9004047
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 557 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004048
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 557 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.419 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6560
_cell_length_b                   12.6560
_cell_length_c                   5.1728
_cell_volume                     717.545
_database_code_amcsd             0004172
_diffrn_ambient_temperature      830.15
_exptl_crystal_density_diffrn    2.342
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.76 O14.419 H1.78'
_cod_database_code               9004048
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 602 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004049
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 602 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.31 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6631
_cell_length_b                   12.6631
_cell_length_c                   5.1753
_cell_volume                     718.698
_database_code_amcsd             0004173
_diffrn_ambient_temperature      875.15
_exptl_crystal_density_diffrn    2.331
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.76 O14.31 H1.78'
_cod_database_code               9004049
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 648 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004050
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 648 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6696
_cell_length_b                   12.6696
_cell_length_c                   5.1755
_cell_volume                     719.463
_database_code_amcsd             0004174
_diffrn_ambient_temperature      921.15
_exptl_crystal_density_diffrn    2.313
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.742 O14.226'
_cod_database_code               9004050
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 693 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004051
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 693 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6758
_cell_length_b                   12.6758
_cell_length_c                   5.1835
_cell_volume                     721.281
_database_code_amcsd             0004175
_diffrn_ambient_temperature      966.15
_exptl_crystal_density_diffrn    2.307
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.742 O14.226'
_cod_database_code               9004051
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 800 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004052
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6886
_cell_length_b                   12.6886
_cell_length_c                   5.1924
_cell_volume                     723.979
_database_code_amcsd             0004176
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    2.298
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.742 O14.226'
_cod_database_code               9004052
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 891 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004053
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 891 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.7034
_cell_length_b                   12.7034
_cell_length_c                   5.2031
_cell_volume                     727.165
_database_code_amcsd             0004177
_diffrn_ambient_temperature      1164.15
_exptl_crystal_density_diffrn    2.282
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.72 O14.16'
_cod_database_code               9004053
Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 952 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 91 (2006) 1117–1124; doi:10.2138/am.2006.2013

data_9004054
_publ_section_title
;
 Cancrinite: Crystal structure, phase transitions, and
 dehydration behaviour with temperature
 Sample: T = 952 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1124
_journal_paper_doi               10.2138/am.2006.2013
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Dungannon Township, Bancroft, Ontario, Canada'
_chemical_formula_sum            'C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.7187
_cell_length_b                   12.7187
_cell_length_c                   5.2150
_cell_volume                     730.584
_database_code_amcsd             0004178
_diffrn_ambient_temperature      1225.15
_exptl_crystal_density_diffrn    2.275
_cod_original_formula_sum        'Na3.01 Ca.75 Al3 Si3 C.732 O14.196'
_cod_database_code               9004054
The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain
Boiocchi, M.; Callegari, A.; Ottolini, L.; American Mineralogist 91 (2006) 1170–1177; doi:10.2138/am.2006.2139

data_9004055
_publ_section_title
;
 The crystal structure of piergorite-(Ce),
 Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2:
 A new borosilicate from Vetralla, Italy,
 with a modified hellandite-type chain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1170
_journal_page_last               1177
_journal_paper_doi               10.2138/am.2006.2139
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Vetralla, Italy'
_chemical_formula_sum
'Al0.49 B8 Be0.54 Ca8.6 Ce1.1 F0.24 Fe0.35 H1.76 Li0.3 O37.76 Si6 Th0.3 Ti0.16'
_chemical_name_mineral           Piergorite-(Ce)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.097
_cell_length_b                   4.777
_cell_length_c                   10.236
_cell_volume                     1364.177
_database_code_amcsd             0004179
_exptl_crystal_density_diffrn    3.606
_cod_original_formula_sum
'Ca8.6 Ce1.1 Th.3 (Al.49 Fe.35 Ti.16) Be.54 Li.3 Si6 B8 O37.76 (F.24 H1.76)'
_cod_database_code               9004055
The structure of lindgrenite
Calvert, L. D.; Barnes, W. H.; The Canadian Mineralogist 6 (1957) 31–51; doi:

data_9004056
_publ_section_title
;
 The structure of lindgrenite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              31
_journal_page_last               51
_journal_volume                  6
_journal_year                    1957
_chemical_formula_sum            'Cu3 H2 Mo2 O10'
_chemical_name_mineral           Lindgrenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.38
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.61
_cell_length_b                   14.03
_cell_length_c                   5.40
_cell_volume                     420.487
_database_code_amcsd             0005073
_exptl_crystal_density_diffrn    4.301
_cod_original_formula_sum        'Cu3 Mo2 O10 H2'
_cod_database_code               9004056
The structure of vanadinite
Trotter, J.; Barnes, W. H.; The Canadian Mineralogist 6 (1958) 161–173; doi:

data_9004057
_publ_section_title
;
 The structure of vanadinite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              161
_journal_page_last               173
_journal_volume                  6
_journal_year                    1958
_chemical_formula_sum            'Cl O12 Pb5 V3'
_chemical_name_mineral           Vanadinite
_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                   10.331
_cell_length_b                   10.331
_cell_length_c                   7.343
_cell_formula_units_Z            2
_cell_volume                     678.717
_database_code_amcsd             0005076
_exptl_crystal_density_diffrn    6.930
_cod_original_formula_sum        'Pb5 V3 Cl O12'
_cod_database_code               9004057
The crystal structure of metarossite
Kelsey, C. H.; Barnes, W. H.; The Canadian Mineralogist 6 (1960) 448–466; doi:

data_9004058
_publ_section_title
;
 The crystal structure of metarossite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              448
_journal_page_last               466
_journal_volume                  6
_journal_year                    1960
_chemical_compound_source        'Thompson's, Utah, USA'
_chemical_formula_sum            'Ca O8 V2'
_chemical_name_mineral           Metarossite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.97
_cell_angle_beta                 96.65
_cell_angle_gamma                105.78
_cell_length_a                   6.21
_cell_length_b                   7.06
_cell_length_c                   7.76
_cell_formula_units_Z            2
_cell_volume                     323.957
_database_code_amcsd             0005077
_exptl_crystal_density_diffrn    2.767
_cod_original_formula_sum        'Ca V2 O8'
_cod_database_code               9004058
The crystal structure of a sodium-calcium variety of metahewettite Sample: anhydrous
Bachmann, H. G.; Barnes, W. H.; The Canadian Mineralogist 7 (1962) 219–235; doi:

data_9004059
_publ_section_title
;
 The crystal structure of a sodium-calcium variety of metahewettite
 Sample: anhydrous
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              219
_journal_page_last               235
_journal_volume                  7
_journal_year                    1962
_chemical_compound_source
'Paradox Valley, Montrose County, Coldrado,USA'
_chemical_formula_sum            'Na O8 V3'
_chemical_name_mineral           Metahewettite
_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                 96.25
_cell_angle_gamma                90
_cell_length_a                   12.28
_cell_length_b                   3.60
_cell_length_c                   8.00
_cell_formula_units_Z            2
_cell_volume                     351.562
_database_code_amcsd             0005078
_exptl_crystal_density_diffrn    2.870
_cod_original_formula_sum        'V3 Na O8'
_cod_database_code               9004059
The crystal structure of a sodium-calcium variety of metahewettite Sample: hydrated
Bachmann, H. G.; Barnes, W. H.; The Canadian Mineralogist 7 (1962) 219–235; doi:

data_9004060
_publ_section_title
;
 The crystal structure of a sodium-calcium variety of metahewettite
 Sample: hydrated
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              219
_journal_page_last               235
_journal_volume                  7
_journal_year                    1962
_chemical_compound_source        'Paradox Valley, Montrose County, Coldrado,USA'
_chemical_formula_sum            'Ca0.25 H0.54 Na0.5 O9 V3'
_chemical_name_mineral           Barnesite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.5
_cell_angle_gamma                90
_cell_length_a                   12.26
_cell_length_b                   3.58
_cell_length_c                   8.11
_cell_formula_units_Z            2
_cell_volume                     355.616
_database_code_amcsd             0018488
_cod_original_formula_sum        'V3 Na.5 Ca.25 O9 H.54'
_cod_database_code               9004060
The structures of the minerals of the descloizite and adelite groups: IV - descloizite and conichalcite (part 2) The structure of conichalcite
Qurashi, M. M.; Barnes, W. H.; The Canadian Mineralogist 7 (1963) 561–577; doi:

data_9004061
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups:
 IV - descloizite and conichalcite (part 2) The structure of conichalcite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              561
_journal_page_last               577
_journal_volume                  7
_journal_year                    1963
_chemical_formula_sum            'As Ca Cu H O5'
_chemical_name_mineral           Conichalcite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.40
_cell_length_b                   5.84
_cell_length_c                   9.21
_cell_volume                     398.019
_database_code_amcsd             0005080
_exptl_crystal_density_diffrn    4.331
_cod_original_formula_sum        'Ca Cu As O5 H'
_cod_database_code               9004061