LMucko/crystallography-open-database huggingface dataset:
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: SC20, single crystal data at T = 20 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004802
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: SC20, single crystal data at T = 20 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2317
_cell_length_b                   8.2317
_cell_length_c                   8.2317
_cell_formula_units_Z            2
_cell_volume                     557.787
_database_code_amcsd             0005895
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    3.327
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004802
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 33 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004803
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 33 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.23264
_cell_length_b                   8.23264
_cell_length_c                   8.23264
_cell_formula_units_Z            2
_cell_volume                     557.978
_database_code_amcsd             0005896
_diffrn_ambient_temperature      306.15
_exptl_crystal_density_diffrn    3.326
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004803
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 124 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004804
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 124 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.23606
_cell_length_b                   8.23606
_cell_length_c                   8.23606
_cell_formula_units_Z            2
_cell_volume                     558.674
_database_code_amcsd             0005897
_diffrn_ambient_temperature      397.15
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004804
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 142 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004805
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 142 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.23652
_cell_length_b                   8.23652
_cell_length_c                   8.23652
_cell_formula_units_Z            2
_cell_volume                     558.768
_database_code_amcsd             0005898
_diffrn_ambient_temperature      415.15
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004805
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 197 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004806
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 197 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.23996
_cell_length_b                   8.23996
_cell_length_c                   8.23996
_cell_formula_units_Z            2
_cell_volume                     559.468
_database_code_amcsd             0005899
_diffrn_ambient_temperature      470.15
_exptl_crystal_density_diffrn    3.317
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004806
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 252 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004807
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 252 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.24186
_cell_length_b                   8.24186
_cell_length_c                   8.24186
_cell_formula_units_Z            2
_cell_volume                     559.855
_database_code_amcsd             0005900
_diffrn_ambient_temperature      525.15
_exptl_crystal_density_diffrn    3.314
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004807
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 306 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004808
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 306 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.24408
_cell_length_b                   8.24408
_cell_length_c                   8.24408
_cell_formula_units_Z            2
_cell_volume                     560.308
_database_code_amcsd             0005901
_diffrn_ambient_temperature      579.15
_exptl_crystal_density_diffrn    3.312
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004808
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 343 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004809
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 343 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.24642
_cell_length_b                   8.24642
_cell_length_c                   8.24642
_cell_formula_units_Z            2
_cell_volume                     560.785
_database_code_amcsd             0005902
_diffrn_ambient_temperature      616.15
_exptl_crystal_density_diffrn    3.309
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004809
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 397 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004810
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 397 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.24837
_cell_length_b                   8.24837
_cell_length_c                   8.24837
_cell_formula_units_Z            2
_cell_volume                     561.183
_database_code_amcsd             0005903
_diffrn_ambient_temperature      670.15
_exptl_crystal_density_diffrn    3.307
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004810
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 452 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004811
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 452 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.25116
_cell_length_b                   8.25116
_cell_length_c                   8.25116
_cell_formula_units_Z            2
_cell_volume                     561.753
_database_code_amcsd             0005904
_diffrn_ambient_temperature      725.15
_exptl_crystal_density_diffrn    3.303
_cod_original_cell_volume        561.752
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004811
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 507 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004812
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 507 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.25392
_cell_length_b                   8.25392
_cell_length_c                   8.25392
_cell_formula_units_Z            2
_cell_volume                     562.316
_database_code_amcsd             0005905
_diffrn_ambient_temperature      780.15
_exptl_crystal_density_diffrn    3.300
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004812
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 543 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004813
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 543 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.25445
_cell_length_b                   8.25445
_cell_length_c                   8.25445
_cell_formula_units_Z            2
_cell_volume                     562.425
_database_code_amcsd             0005906
_diffrn_ambient_temperature      816.15
_exptl_crystal_density_diffrn    3.299
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004813
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 598 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004814
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 598 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.25766
_cell_length_b                   8.25766
_cell_length_c                   8.25766
_cell_formula_units_Z            2
_cell_volume                     563.081
_database_code_amcsd             0005907
_diffrn_ambient_temperature      871.15
_exptl_crystal_density_diffrn    3.295
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004814
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 652 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004815
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 652 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.26009
_cell_length_b                   8.26009
_cell_length_c                   8.26009
_cell_formula_units_Z            2
_cell_volume                     563.578
_database_code_amcsd             0005908
_diffrn_ambient_temperature      925.15
_exptl_crystal_density_diffrn    3.293
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004815
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 707 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004816
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 707 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.26256
_cell_length_b                   8.26256
_cell_length_c                   8.26256
_cell_formula_units_Z            2
_cell_volume                     564.084
_database_code_amcsd             0005909
_diffrn_ambient_temperature      980.15
_exptl_crystal_density_diffrn    3.290
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004816
The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 744 degrees C
Antao, S. M.; Hassan, I.; Parise, J. B.; The Canadian Mineralogist 41 (2003) 1413–1422; doi:10.2113/gscanmin.41.6.1413

data_9004817
_publ_section_title
;
 The structure of danalite at high temperature obtained from
 synchrotron radiation and Rietveld refinements
 Sample: T = 744 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1413
_journal_page_last               1422
_journal_paper_doi               10.2113/gscanmin.41.6.1413
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Be3 Fe4 O12 S Si3'
_chemical_name_mineral           Danalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.26341
_cell_length_b                   8.26341
_cell_length_c                   8.26341
_cell_formula_units_Z            2
_cell_volume                     564.258
_database_code_amcsd             0005910
_diffrn_ambient_temperature      1017.15
_exptl_crystal_density_diffrn    3.289
_cod_original_formula_sum        'Be3 Si3 O12 Fe4 S'
_cod_database_code               9004817