LMucko/crystallography-open-database huggingface dataset:
Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium Locality: Le Coreux, Salmchateau, Belgium
Bernhardt, H. J.; Armbruster, T.; Fransolet, A. M.; Schreyer, W.; European Journal of Mineralogy 17 (2005) 703–714; doi:10.1127/0935-1221/2005/0017-0703

data_9010732
_publ_section_title
;Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the
 Stavelot Massif, Belgium Locality: Le Coreux, Salmchateau, Belgium
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              703
_journal_page_last               714
_journal_paper_doi               10.1127/0935-1221/2005/0017-0703
_journal_volume                  17
_journal_year                    2005
_chemical_compound_source        'Le Coreux, Salmchateau, Belgium'
_chemical_formula_sum            'Cu Fe7 La3 Mn22 O72 Si12'
_chemical_name_mineral           Stavelotite-(La)
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.525
_cell_length_b                   11.525
_cell_length_c                   33.347
_cell_formula_units_Z            3
_cell_volume                     3835.918
_database_code_amcsd             0007128
_exptl_crystal_density_diffrn    4.635
_cod_original_cell_volume        3835.917
_cod_original_formula_sum        'La3 Mn22 Fe7 Cu Si12 O72'
_cod_database_code               9010732
Farneseite, a new mineral of the cancrinite - sodalite group with a 14-layer stacking sequence: occurence and crystal structure
Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; European Journal of Mineralogy 17 (2005) 839–846; doi:10.1127/0935-1221/2005/0017-0839

data_9010733
_publ_section_title
;
 Farneseite, a new mineral of the cancrinite - sodalite group
 with a 14-layer stacking sequence: occurence and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              839
_journal_page_last               846
_journal_paper_doi               10.1127/0935-1221/2005/0017-0839
_journal_volume                  17
_journal_year                    2005
_chemical_compound_source
'Latera Caldera, Farnese, Viterbo Province, Italy'
_chemical_formula_sum
'Al21 Ca4.26 Cl0.24 F0.078 H10 K4.59 Na17.826 O111.512 S5.366 Si21'
_chemical_name_mineral           Farneseite
_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_formula_units_Z            2
_cell_length_a                   12.8784
_cell_length_b                   12.8784
_cell_length_c                   37.0078
_cell_volume                     5315.544
_database_code_amcsd             0007136
_exptl_crystal_density_diffrn    2.432
_cod_original_formula_sum
'Na17.826 Ca4.26 K4.59 Al21 Si21 S5.366 O111.512 Cl.24 F.078 H10'
_cod_database_code               9010733
Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 Locality: synthetic
Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.; European Journal of Mineralogy 18 (2006) 175–186; doi:10.1127/0935-1221/2006/0018-0175

data_9010734
_publ_section_title
;
 Thermodynamic properties and crystal structure refinement of
 ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5
 Locality: synthetic
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              175
_journal_page_last               186
_journal_paper_doi               10.1127/0935-1221/2006/0018-0175
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Fe H3.028 O12 S2'
_chemical_name_mineral           Rhomboclase
_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_length_a                   9.7226
_cell_length_b                   18.2800
_cell_length_c                   5.4270
_cell_volume                     964.536
_cod_data_source_file            06531.cif
_cod_data_source_block           global
_cell_formula_units_Z            4
_cod_depositor_comments
;
       Z value inserted to be consistent with given formula.
     Water oxygen renamed so it is considered as oxygen.
                           miguel.
;
_cod_original_formula_sum        'Fe S2 O12 H3.028'
_cod_database_code               9010734
Rietveld structure refinement of NH4-exchanged natural chabazite
Gualtieri, A. F.; Passaglia, E.; European Journal of Mineralogy 18 (2006) 351–359; doi:10.1127/0935-1221/2006/0018-0351

data_9010735
_publ_section_title
;
 Rietveld structure refinement of NH4-exchanged natural chabazite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              351
_journal_page_last               359
_journal_paper_doi               10.1127/0935-1221/2006/0018-0351
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Wasson's Bluff, Two Islands, Nova Scotia, Canada'
_chemical_formula_sum            'Al3.48 Ca1.2 H70 K0.78 O35.16 Si8.52'
_chemical_name_mineral           Chabazite-K
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.379
_cell_angle_beta                 94.379
_cell_angle_gamma                94.379
_cell_formula_units_Z            1
_cell_length_a                   9.38749
_cell_length_b                   9.38749
_cell_length_c                   9.38749
_cell_volume                     819.634
_database_code_amcsd             0007149
_exptl_crystal_density_diffrn    2.117
_cod_original_cell_volume        819.635
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca1.2 K.78 (Si8.52 Al3.48) O35.16 H70'
_cod_database_code               9010735
Rietveld structure refinement of NH4-exchanged natural chabazite
Gualtieri, A. F.; Passaglia, E.; European Journal of Mineralogy 18 (2006) 351–359; doi:10.1127/0935-1221/2006/0018-0351

data_9010736
_publ_section_title
;
 Rietveld structure refinement of NH4-exchanged natural chabazite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              351
_journal_page_last               359
_journal_paper_doi               10.1127/0935-1221/2006/0018-0351
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Wasson's Bluff, Two Islands, Nova Scotia, Canada'
_chemical_formula_sum            'Al3.48 Ca0.05 H74 K0.05 N2 O33.66 Si8.52'
_chemical_name_mineral           NH4-Chabazite-K
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.678
_cell_angle_beta                 94.678
_cell_angle_gamma                94.678
_cell_formula_units_Z            1
_cell_length_a                   9.41709
_cell_length_b                   9.41709
_cell_length_c                   9.41709
_cell_volume                     826.291
_database_code_amcsd             0007150
_exptl_crystal_density_diffrn    1.966
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'N2 H74 K.05 Ca.05 (Si8.52 Al3.48) O33.66'
_cod_database_code               9010736
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-3
Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.; European Journal of Mineralogy 18 (2006) 379–391; doi:10.1127/0935-1221/2006/0018-0379

data_9010737
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample:
 SA1-3
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Cava St. Antonio, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Fe0.755 H1.421 K Mg2.245 O12 Si4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.030
_cell_angle_gamma                90
_cell_length_a                   5.337
_cell_length_b                   9.239
_cell_length_c                   10.237
_cell_formula_units_Z            2
_cell_volume                     497.057
_database_code_amcsd             0007151
_exptl_crystal_density_diffrn    2.950
_cod_original_formula_sum        'K (Mg2.245 Fe.755) Si4 O12 H1.421'
_cod_database_code               9010737
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-5
Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.; European Journal of Mineralogy 18 (2006) 379–391; doi:10.1127/0935-1221/2006/0018-0379

data_9010738
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample:
 SA1-5
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Cava St. Antonio, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Fe0.752 H1.405 K Mg2.248 O12 Si4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.021
_cell_angle_gamma                90
_cell_length_a                   5.334
_cell_length_b                   9.240
_cell_length_c                   10.235
_cell_formula_units_Z            2
_cell_volume                     496.748
_database_code_amcsd             0007152
_exptl_crystal_density_diffrn    2.952
_cod_original_formula_sum        'K (Mg2.248 Fe.752) Si4 O12 H1.405'
_cod_database_code               9010738
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-9
Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.; European Journal of Mineralogy 18 (2006) 379–391; doi:10.1127/0935-1221/2006/0018-0379

data_9010739
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample:
 SA1-9
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Cava St. Antonio, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Fe0.807 H1.361 K Mg2.191 O12 Si4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.050
_cell_angle_gamma                90
_cell_length_a                   5.337
_cell_length_b                   9.238
_cell_length_c                   10.228
_cell_formula_units_Z            2
_cell_volume                     496.536
_database_code_amcsd             0007153
_exptl_crystal_density_diffrn    2.964
_cod_original_formula_sum        'K Mg2.191 Fe.807 Si4 O12 H1.361'
_cod_database_code               9010739
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles
Scordari, Fernando; Ventruti, Gennaro; Sabato, Anna; Bellatreccia, Fabio; Della Ventura, Giancarlo; Pedrazzi, Giuseppe; European Journal of Mineralogy 18 (2006) 379–391; doi:10.1127/0935-1221/2006/0018-0379

data_9010740
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles
;
_journal_issue                   3
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
;Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-51
;
_chemical_formula_sum            'Fe0.826 H1.39 K Mg2.172 O12 Si4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.058
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.336
_cell_length_b                   9.236
_cell_length_c                   10.223
_cell_volume                     496.080
_database_code_amcsd             0007154
_exptl_crystal_density_diffrn    2.971
_cod_original_formula_sum        'K Mg2.172 Fe.826 Si4 O12 H1.39'
_cod_database_code               9010740
Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample: SA1-52
Scordari, F.; Ventruti, G.; Sabato, A.; Bellatreccia, F.; Della Ventura, G.; Pedrazzi, G.; European Journal of Mineralogy 18 (2006) 379–391; doi:10.1127/0935-1221/2006/0018-0379

data_9010741
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample:
 SA1-52
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'Cava St. Antonio, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Fe0.802 H1.403 K Mg2.198 O12 Si4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.001
_cell_angle_gamma                90
_cell_length_a                   5.335
_cell_length_b                   9.242
_cell_length_c                   10.231
_cell_formula_units_Z            2
_cell_volume                     496.785
_database_code_amcsd             0007155
_exptl_crystal_density_diffrn    2.962
_cod_original_formula_sum        'K Mg2.198 Fe.802 Si4 O12 H1.403'
_cod_database_code               9010741
First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands, Italy): chemical data and single-crystal X-ray study
Pinto, D.; Balic-Zunic T; Garavelli, A.; Garbarino, C.; Makovicky, E.; Vurro, F.; European Journal of Mineralogy 18 (2006) 393–401; doi:10.1127/0935-1221/2006/0018-0393

data_9010742
_publ_section_title
;
 First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands,
 Italy): chemical data and single-crystal X-ray study
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              393
_journal_page_last               401
_journal_paper_doi               10.1127/0935-1221/2006/0018-0393
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'As3 Bi2 Pb11 S19'
_chemical_name_mineral           Kirkiite
_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                 119.653
_cell_angle_gamma                90
_cell_length_a                   8.700
_cell_length_b                   26.237
_cell_length_c                   8.774
_cell_formula_units_Z            2
_cell_volume                     1740.482
_database_code_amcsd             0007156
_exptl_crystal_density_diffrn    6.738
_cod_original_formula_sum        'Pb11 Bi2 As3 S19'
_cod_database_code               9010742
The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K
Fortes, A. D.; Wood, I. G.; Alfredsson, M.; Vocadlo, L.; Knight, K. S.; European Journal of Mineralogy 18 (2006) 449–462; doi:10.1127/0935-1221/2006/0018-0449

data_9010743
_publ_section_title
;
 The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron
 diffraction and ab initio calculation
 Locality: synthetic
 Sample: T = 2 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              449
_journal_page_last               462
_journal_paper_doi               10.1127/0935-1221/2006/0018-0449
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'D14 Mg O11 S'
_chemical_name_mineral           'Epsomite (deuterated)'
_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                   11.897133
_cell_length_b                   11.90851
_cell_length_c                   6.78729
_cell_volume                     961.604
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    1.800
_cod_original_formula_sum        'Mg S O11 D14'
_cod_database_code               9010743
Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: Schneeberg, Saxony, Germany
Kolitsch, U.; Fleck, M.; European Journal of Mineralogy 18 (2006) 471–482; doi:10.1127/0935-1221/2006/0018-0471

data_9010744
_publ_section_title
;Third update on compounds with krohnkite-type chains: the crystal structure
 of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality:
 Schneeberg, Saxony, Germany
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              471
_journal_page_last               482
_journal_paper_doi               10.1127/0935-1221/2006/0018-0471
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source        'Schneeberg, Saxony, Germany'
_chemical_formula_sum            'As2 Ca2 Co0.1 H4 Mg0.9 O10'
_chemical_name_mineral           Wendwilsonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.49
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.806
_cell_length_b                   12.923
_cell_length_c                   5.628
_cell_volume                     402.752
_database_code_amcsd             0007158
_exptl_crystal_density_diffrn    3.478
_cod_original_formula_sum        'Ca2 (Mg.9 Co.1) As2 O10 H4'
_cod_database_code               9010744
Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality: synthetic
Kolitsch, U.; Fleck, M.; European Journal of Mineralogy 18 (2006) 471–482; doi:10.1127/0935-1221/2006/0018-0471

data_9010745
_publ_section_title
;Third update on compounds with krohnkite-type chains: the crystal structure
 of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of
 synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) Locality:
 synthetic
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              471
_journal_page_last               482
_journal_paper_doi               10.1127/0935-1221/2006/0018-0471
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgSc(CrO4)2*2H2O
_chemical_formula_sum            'Ag Cr2 H4 O10 Sc'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.74
_cell_angle_beta                 90.21
_cell_angle_gamma                117.34
_cell_formula_units_Z            1
_cell_length_a                   5.586
_cell_length_b                   6.054
_cell_length_c                   7.432
_cell_volume                     204.564
_database_code_amcsd             0007159
_exptl_crystal_density_diffrn    3.416
_cod_original_formula_sum        'Ag Sc Cr2 O10 H4'
_cod_database_code               9010745
_amcsd_formula_title             AgSc(CrO4)2*2H2O