LMucko/crystallography-open-database huggingface dataset:
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 43 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003319
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 43 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.88689
_cell_length_b                   8.88689
_cell_length_c                   8.88689
_cell_formula_units_Z            2
_cell_volume                     701.858
_database_code_amcsd             0003408
_diffrn_ambient_temperature      316.15
_exptl_crystal_density_diffrn    2.293
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003319
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 58 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003320
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 58 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.88850
_cell_length_b                   8.88850
_cell_length_c                   8.88850
_cell_formula_units_Z            2
_cell_volume                     702.240
_database_code_amcsd             0003409
_diffrn_ambient_temperature      331.15
_exptl_crystal_density_diffrn    2.292
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003320
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 104 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003321
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 104 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.89540
_cell_length_b                   8.89540
_cell_length_c                   8.89540
_cell_formula_units_Z            2
_cell_volume                     703.876
_database_code_amcsd             0003410
_diffrn_ambient_temperature      377.15
_exptl_crystal_density_diffrn    2.286
_cod_original_cell_volume        703.877
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003321
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 164 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003322
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 164 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.90171
_cell_length_b                   8.90171
_cell_length_c                   8.90171
_cell_formula_units_Z            2
_cell_volume                     705.375
_database_code_amcsd             0003411
_diffrn_ambient_temperature      437.15
_exptl_crystal_density_diffrn    2.282
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003322
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 270 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003323
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 270 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.91423
_cell_length_b                   8.91423
_cell_length_c                   8.91423
_cell_formula_units_Z            2
_cell_volume                     708.356
_database_code_amcsd             0003412
_diffrn_ambient_temperature      543.15
_exptl_crystal_density_diffrn    2.272
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003323
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 376 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003324
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 376 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.92782
_cell_length_b                   8.92782
_cell_length_c                   8.92782
_cell_formula_units_Z            2
_cell_volume                     711.601
_database_code_amcsd             0003413
_diffrn_ambient_temperature      649.15
_exptl_crystal_density_diffrn    2.262
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003324
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 482 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003325
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 482 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.94177
_cell_length_b                   8.94177
_cell_length_c                   8.94177
_cell_formula_units_Z            2
_cell_volume                     714.941
_database_code_amcsd             0003414
_diffrn_ambient_temperature      755.15
_exptl_crystal_density_diffrn    2.251
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003325
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 588 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003326
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 588 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.95963
_cell_length_b                   8.95963
_cell_length_c                   8.95963
_cell_formula_units_Z            2
_cell_volume                     719.234
_database_code_amcsd             0003415
_diffrn_ambient_temperature      861.15
_exptl_crystal_density_diffrn    2.238
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003326
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 694 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003327
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 694 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.97427
_cell_length_b                   8.97427
_cell_length_c                   8.97427
_cell_formula_units_Z            2
_cell_volume                     722.765
_database_code_amcsd             0003416
_diffrn_ambient_temperature      967.15
_exptl_crystal_density_diffrn    2.227
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003327
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 800 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003328
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   8.99003
_cell_length_b                   8.99003
_cell_length_c                   8.99003
_cell_formula_units_Z            2
_cell_volume                     726.580
_database_code_amcsd             0003417
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    2.215
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003328
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 906 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003329
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 906 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   9.01287
_cell_length_b                   9.01287
_cell_length_c                   9.01287
_cell_formula_units_Z            2
_cell_volume                     732.132
_database_code_amcsd             0003418
_diffrn_ambient_temperature      1179.15
_exptl_crystal_density_diffrn    2.198
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003329
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 967 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003330
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 967 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   9.02374
_cell_length_b                   9.02374
_cell_length_c                   9.02374
_cell_formula_units_Z            2
_cell_volume                     734.784
_database_code_amcsd             0003419
_diffrn_ambient_temperature      1240.15
_exptl_crystal_density_diffrn    2.190
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003330
Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 982 C
Hassan, I.; Antao, S. M.; Parise, J. B.; American Mineralogist 89 (2004) 359–364; doi:

data_9003331
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 982 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              359
_journal_page_last               364
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_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                   9.02748
_cell_length_b                   9.02748
_cell_length_c                   9.02748
_cell_formula_units_Z            2
_cell_volume                     735.698
_database_code_amcsd             0003420
_diffrn_ambient_temperature      1255.15
_exptl_crystal_density_diffrn    2.188
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9003331
The structure of metahohmannite, Fe2[O(SO4)2].4H2O, by in situ synchrotron powder diffraction
Scordari, F.; Ventruti, G.; Gualtieri, A. F.; American Mineralogist 89 (2004) 365–370; doi:

data_9003332
_publ_section_title
;
 The structure of metahohmannite, Fe2[O(SO4)2].4H2O,
 by in situ synchrotron powder diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               370
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Fe4 H16 O26 S4'
_chemical_name_mineral           Metahohmannite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.684
_cell_angle_beta                 98.523
_cell_angle_gamma                86.390
_cell_formula_units_Z            1
_cell_length_a                   7.3484
_cell_length_b                   9.7710
_cell_length_c                   7.1521
_cell_volume                     506.746
_exptl_crystal_density_diffrn    2.568
_cod_depositor_comments
;

2017-09-06
Z value inserted and formula to consider tetrameric nature 
Water oxygen renamed so they are recognized as oxygens.
                 miguel
;
_cod_original_formula_sum        'Fe4 S4 O26 H16'
_cod_database_code               9003332
A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?
Fleet, M. E.; Liu, X.; American Mineralogist 89 (2004) 396–404; doi:

data_9003333
_publ_section_title
;
 A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
 Evidence for nonquenchable 10 GPa polymorph with silicon
 in fivefold trigonal bipyramidal coordination?
;
_journal_name_full               'American Mineralogist'
_journal_page_first              396
_journal_page_last               404
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Dy2Si2O7
_chemical_formula_sum            'Dy6 O21 Si6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.791
_cell_angle_beta                 88.653
_cell_angle_gamma                88.498
_cell_length_a                   6.5971
_cell_length_b                   6.6504
_cell_length_c                   18.0582
_cell_formula_units_Z            2
_cell_volume                     787.185
_database_code_amcsd             0003422
_exptl_crystal_density_diffrn    6.242
_cod_original_formula_sum        'Dy6 Si6 O21'
_cod_database_code               9003333
_amcsd_formula_title             Dy2Si2O7
A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?
Fleet, M. E.; Liu, X.; American Mineralogist 89 (2004) 396–404; doi:

data_9003334
_publ_section_title
;
 A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
 Evidence for nonquenchable 10 GPa polymorph with silicon
 in fivefold trigonal bipyramidal coordination?
;
_journal_name_full               'American Mineralogist'
_journal_page_first              396
_journal_page_last               404
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Tm2Si2O7
_chemical_formula_sum            'O21 Si6 Tm5.902'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.828
_cell_angle_beta                 88.368
_cell_angle_gamma                88.152
_cell_length_a                   6.5499
_cell_length_b                   6.5876
_cell_length_c                   17.8916
_cell_formula_units_Z            2
_cell_volume                     766.872
_database_code_amcsd             0003423
_exptl_crystal_density_diffrn    6.503
_cod_original_formula_sum        'Tm5.902 Si6 O21'
_cod_database_code               9003334
_amcsd_formula_title             Tm2Si2O7
A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?
Fleet, M. E.; Liu, X.; American Mineralogist 89 (2004) 396–404; doi:

data_9003335
_publ_section_title
;
 A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L):
 Evidence for nonquenchable 10 GPa polymorph with silicon
 in fivefold trigonal bipyramidal coordination?
;
_journal_name_full               'American Mineralogist'
_journal_page_first              396
_journal_page_last               404
_journal_volume                  89
_journal_year                    2004
_chemical_formula_structural     Lu2Si2O7
_chemical_formula_sum            'Lu5.745 O21 Si6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.977
_cell_angle_beta                 88.074
_cell_angle_gamma                87.846
_cell_length_a                   6.5240
_cell_length_b                   6.5553
_cell_length_c                   17.7909
_cell_formula_units_Z            2
_cell_volume                     755.788
_database_code_amcsd             0003424
_exptl_crystal_density_diffrn    6.634
_cod_original_formula_sum        'Lu5.745 Si6 O21'
_cod_database_code               9003335
_amcsd_formula_title             Lu2Si2O7
Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bx000_1
Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.; American Mineralogist 89 (2004) 405–420; doi:

data_9003336
_publ_section_title
;
 Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5:
 Single-crystal X-ray diffraction at 25 deg C and high temperature
 X-ray powder diffraction (25 C <= T <= 1000 C)
 Sample: bx000_1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              405
_journal_page_last               420
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Brownmillerite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4268
_cell_length_b                   14.7631
_cell_length_c                   5.5969
_cell_volume                     448.403
_database_code_amcsd             0003425
_exptl_crystal_density_diffrn    4.027
_cod_database_code               9003336