LMucko/crystallography-open-database huggingface dataset:
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation
Artioli, G.; Kvick, A.; European Journal of Mineralogy 2 (1990) 749–759; doi:10.1127/ejm/2/6/0749

data_9005044
_publ_section_title
;Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of
 synthetic zeolite-L Sample: data collected with synchrotron radiation
;
_journal_issue                   6
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              749
_journal_page_last               759
_journal_paper_doi               10.1127/ejm/2/6/0749
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al12 H37.324 K8 O94.46 Si24 Tl3.78'
_chemical_name_mineral           Perlialite
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   18.5432
_cell_length_b                   18.5432
_cell_length_c                   7.5310
_cell_formula_units_Z            1
_cell_volume                     2242.604
_exptl_crystal_density_diffrn    2.689
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_formula_sum        'K8 Tl3.78 (Si24 Al12) O94.46 H37.324'
_cod_database_code               9005044
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation
Artioli, G.; Kvick, A.; European Journal of Mineralogy 2 (1990) 749–759; doi:10.1127/ejm/2/6/0749

data_9005045
_publ_section_title
;Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of
 synthetic zeolite-L Sample: data collected with conventional diffractometer
 radiation
;
_journal_issue                   6
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              749
_journal_page_last               759
_journal_paper_doi               10.1127/ejm/2/6/0749
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al12 H37.408 K7.447 O95.24 Si24 Tl3.813'
_chemical_name_mineral           Perlialite
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   18.5432
_cell_length_b                   18.5432
_cell_length_c                   7.5310
_cell_formula_units_Z            1
_cell_volume                     2242.604
_exptl_crystal_density_diffrn    2.688
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_formula_sum        'K7.447 Tl3.813 (Si24 Al12) O95.24 H37.408'
_cod_database_code               9005045
Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: Li-natrolite, LI
Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.; European Journal of Mineralogy 2 (1990) 761–769; doi:10.1127/ejm/2/6/0761

data_9005046
_publ_section_title
;
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: Li-natrolite, LI
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              761
_journal_page_last               769
_journal_paper_doi               10.1127/ejm/2/6/0761
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Li1.66 Na0.34 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.678
_cell_length_b                   18.509
_cell_length_c                   6.488
_cell_volume                     2122.887
_database_code_amcsd             0006391
_exptl_crystal_density_diffrn    2.213
_cod_original_formula_sum        '(Li1.66 Na.34) Si3 Al2 O12 H4'
_cod_database_code               9005046
Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA
Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.; European Journal of Mineralogy 2 (1990) 761–769; doi:10.1127/ejm/2/6/0761

data_9005047
_publ_section_title
;
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: natrolite, NA
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              761
_journal_page_last               769
_journal_paper_doi               10.1127/ejm/2/6/0761
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.307
_cell_length_b                   18.623
_cell_length_c                   6.5872
_cell_volume                     2245.782
_database_code_amcsd             0006392
_exptl_crystal_density_diffrn    2.249
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005047
Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: K-natrolite, KK
Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.; European Journal of Mineralogy 2 (1990) 761–769; doi:10.1127/ejm/2/6/0761

data_9005048
_publ_section_title
;
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: K-natrolite, KK
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              761
_journal_page_last               769
_journal_paper_doi               10.1127/ejm/2/6/0761
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 K2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.27
_cell_length_b                   19.66
_cell_length_c                   6.469
_cell_volume                     2450.769
_database_code_amcsd             0006393
_exptl_crystal_density_diffrn    2.236
_cod_original_formula_sum        'K2 Al2 Si3 O12 H4'
_cod_database_code               9005048
Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement Pm3n
Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.; European Journal of Mineralogy 2 (1990) 787–798; doi:10.1127/ejm/2/6/0787

data_9005049
_publ_section_title
;
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: X-ray refinement Pm3n
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1127/ejm/2/6/0787
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'C96 H288 Al3 N O12 P3'
_chemical_name_mineral           Sodalite
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0437
_cell_length_b                   9.0437
_cell_length_c                   9.0437
_cell_formula_units_Z            2
_cell_volume                     739.671
_database_code_amcsd             0006394
_exptl_crystal_density_diffrn    8.186
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        'P3 Al3 O12 N C96 H288'
_cod_database_code               9005049
Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement
Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.; European Journal of Mineralogy 2 (1990) 787–798; doi:10.1127/ejm/2/6/0787

data_9005050
_publ_section_title
;
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: X-ray refinement
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1127/ejm/2/6/0787
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al O4 P'
_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                   9.0437
_cell_length_b                   9.0437
_cell_length_c                   9.0437
_cell_formula_units_Z            6
_cell_volume                     739.671
_database_code_amcsd             0006395
_exptl_crystal_density_diffrn    1.643
_cod_original_formula_sum        'P Al O4'
_cod_database_code               9005050
Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 295 K
Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.; European Journal of Mineralogy 2 (1990) 787–798; doi:10.1127/ejm/2/6/0787

data_9005051
_publ_section_title
;
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: Neutron refinement at T = 295 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1127/ejm/2/6/0787
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al O4 P'
_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                   9.0551
_cell_length_b                   9.0551
_cell_length_c                   9.0551
_cell_formula_units_Z            6
_cell_volume                     742.471
_database_code_amcsd             0006396
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.636
_cod_original_cell_volume        742.472
_cod_original_formula_sum        'P Al O4'
_cod_database_code               9005051
Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 200 K
Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.; European Journal of Mineralogy 2 (1990) 787–798; doi:10.1127/ejm/2/6/0787

data_9005052
_publ_section_title
;
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: Neutron refinement at T = 200 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1127/ejm/2/6/0787
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al O4 P'
_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                   9.0374
_cell_length_b                   9.0374
_cell_length_c                   9.0374
_cell_formula_units_Z            6
_cell_volume                     738.126
_database_code_amcsd             0006397
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.646
_cod_original_formula_sum        'P Al O4'
_cod_database_code               9005052
Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 20 K
Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W.; European Journal of Mineralogy 2 (1990) 787–798; doi:10.1127/ejm/2/6/0787

data_9005053
_publ_section_title
;
 Crystal structure of MAPO-20 sodalite: theoretical analysis
 of three-color ordering of Mg, Al and P in a sodalite unit
 Sample: Neutron refinement at T = 20 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              787
_journal_page_last               798
_journal_paper_doi               10.1127/ejm/2/6/0787
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al O4 P'
_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                   8.9942
_cell_length_b                   8.9942
_cell_length_c                   8.9942
_cell_formula_units_Z            6
_cell_volume                     727.592
_database_code_amcsd             0006398
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    1.670
_cod_original_cell_volume        727.591
_cod_original_formula_sum        'P Al O4'
_cod_database_code               9005053
Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na I
Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G; European Journal of Mineralogy 2 (1990) 799–807; doi:10.1127/ejm/2/6/0799

data_9005054
_publ_section_title
;Disorder in natrolites: structure determinations of three disordered
 natrolites and one lithium-exchanged disordered natrolite Example: Na I
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              799
_journal_page_last               807
_journal_paper_doi               10.1127/ejm/2/6/0799
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.305
_cell_length_b                   18.632
_cell_length_c                   6.589
_cell_formula_units_Z            8
_cell_volume                     2247.236
_database_code_amcsd             0006399
_exptl_crystal_density_diffrn    2.248
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005054
Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na II
Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G; European Journal of Mineralogy 2 (1990) 799–807; doi:10.1127/ejm/2/6/0799

data_9005055
_publ_section_title
;Disorder in natrolites: structure determinations of three disordered
 natrolites and one lithium-exchanged disordered natrolite Example: Na II
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              799
_journal_page_last               807
_journal_paper_doi               10.1127/ejm/2/6/0799
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.372
_cell_length_b                   18.576
_cell_length_c                   6.606
_cell_formula_units_Z            8
_cell_volume                     2254.484
_database_code_amcsd             0006400
_exptl_crystal_density_diffrn    2.240
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005055
Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na III
Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G; European Journal of Mineralogy 2 (1990) 799–807; doi:10.1127/ejm/2/6/0799

data_9005056
_publ_section_title
;Disorder in natrolites: structure determinations of three disordered
 natrolites and one lithium-exchanged disordered natrolite Example: Na III
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              799
_journal_page_last               807
_journal_paper_doi               10.1127/ejm/2/6/0799
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.367
_cell_length_b                   18.583
_cell_length_c                   6.599
_cell_formula_units_Z            8
_cell_volume                     2252.331
_database_code_amcsd             0006401
_exptl_crystal_density_diffrn    2.243
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005056
Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Li II
Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G; European Journal of Mineralogy 2 (1990) 799–807; doi:10.1127/ejm/2/6/0799

data_9005057
_publ_section_title
;Disorder in natrolites: structure determinations of three disordered
 natrolites and one lithium-exchanged disordered natrolite Example: Li II
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              799
_journal_page_last               807
_journal_paper_doi               10.1127/ejm/2/6/0799
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.704
_cell_length_b                   18.540
_cell_length_c                   6.495
_cell_formula_units_Z            8
_cell_volume                     2131.868
_database_code_amcsd             0006402
_exptl_crystal_density_diffrn    2.369
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005057
Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral: structural features and OD character
Merlino, S.; European Journal of Mineralogy 2 (1990) 809–817; doi:10.1127/ejm/2/6/0809

data_9005058
_publ_section_title
;
 Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral:
 structural features and OD character
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              809
_journal_page_last               817
_journal_paper_doi               10.1127/ejm/2/6/0809
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Be4 H18 K2 Na6 O45 Si14'
_chemical_name_mineral           Lovdarite
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2a'
_symmetry_space_group_name_H-M   'P m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   39.576
_cell_length_b                   6.9308
_cell_length_c                   7.1526
_cell_volume                     1961.911
_database_code_amcsd             0006403
_exptl_crystal_density_diffrn    2.335
_cod_original_formula_sum        'K2 Na6 Si14 Be4 O45 H18'
_cod_database_code               9005058
Stratlingite: crystal structure, chemistry, and a reexamination of its polytype vertumnite
Rinaldi, R.; Sacerdoti, M.; Passaglia, E.; European Journal of Mineralogy 2 (1990) 841–849; doi:10.1127/ejm/2/6/0841

data_9005059
_publ_section_title
;
 Stratlingite: crystal structure, chemistry, and a reexamination
 of its polytype vertumnite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              841
_journal_page_last               849
_journal_paper_doi               10.1127/ejm/2/6/0841
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2.11 Ca2 H18 O16.25 Si1.11'
_chemical_name_mineral           Stratlingite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.745
_cell_length_b                   5.745
_cell_length_c                   37.77
_cell_volume                     1079.587
_database_code_amcsd             0006404
_exptl_crystal_density_diffrn    2.060
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al2.11 Ca2 Si1.11 O16.25 H18'
_cod_database_code               9005059
X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Na-L
Sato, M.; Morikawa, K.; Kurosawa, S.; European Journal of Mineralogy 2 (1990) 851–859; doi:10.1127/ejm/2/6/0851

data_9005060
_publ_section_title
;
 X-ray Rietveld analysis of cation exchanged zeolite-L (LTL)
 Sample: Na-L
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              851
_journal_page_last               859
_journal_paper_doi               10.1127/ejm/2/6/0851
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al10.62 H72 K4.63 Na6 O91.32 Si25.38'
_chemical_name_mineral           Zeolite-L
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   18.358
_cell_length_b                   18.358
_cell_length_c                   7.521
_cell_volume                     2195.113
_database_code_amcsd             0006405
_exptl_crystal_density_diffrn    2.157
_cod_original_formula_sum        'K4.63 Na6 Al10.62 Si25.38 O91.32 H72'
_cod_database_code               9005060