LMucko/crystallography-open-database huggingface dataset:
The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral of the boracite group: An example of the insertion of a cluster into a three-dimensional net
Schindler, M.; Hawthorne, F. C.; The Canadian Mineralogist 36 (1998) 1195–1201; doi:

data_9004489
_publ_section_title
;The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral
 of the boracite group: An example of the insertion of a cluster into a
 three-dimensional net
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1195
_journal_page_last               1201
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'B7 Cl Fe1.44 Mg1.56 O13'
_chemical_name_mineral           Trembathite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.588
_cell_length_b                   8.588
_cell_length_c                   21.050
_cell_formula_units_Z            6
_cell_volume                     1344.519
_database_code_amcsd             0005564
_exptl_crystal_density_diffrn    3.242
_cod_original_cell_volume        1344.518
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        '(Mg1.56 Fe1.44) B7 O13 Cl'
_cod_database_code               9004489
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck
Basciano, L. C.; Peterson, R. C.; Roeder, P. L.; The Canadian Mineralogist 36 (1998) 1203–1210; doi:

data_9004490
_publ_section_title
;Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375
 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic
 schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a
 1375 BC shipwreck
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1203
_journal_page_last               1210
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'a 1375 BC shipwreck'
_chemical_formula_sum            'H6 Mg O6 Sn'
_chemical_name_mineral           Schoenfliesite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.7449
_cell_length_b                   7.7449
_cell_length_c                   7.7449
_cell_formula_units_Z            4
_cell_volume                     464.566
_database_code_amcsd             0005565
_exptl_crystal_density_diffrn    3.504
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Mg Sn H6 O6'
_cod_database_code               9004490
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck
Basciano, L. C.; Peterson, R. C.; Roeder, P. L.; The Canadian Mineralogist 36 (1998) 1203–1210; doi:

data_9004491
_publ_section_title
;Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375
 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic
 schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a
 1375 BC shipwreck
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1203
_journal_page_last               1210
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'a 1375 BC shipwreck'
_chemical_formula_sum            'H6 Mn O6 Sn'
_chemical_name_mineral           Wickmanite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8744
_cell_length_b                   7.8744
_cell_length_c                   7.8744
_cell_formula_units_Z            4
_cell_volume                     488.261
_database_code_amcsd             0005566
_exptl_crystal_density_diffrn    3.750
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Mn Sn H6 O6'
_cod_database_code               9004491
Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a 1375 BC shipwreck
Basciano, L. C.; Peterson, R. C.; Roeder, P. L.; The Canadian Mineralogist 36 (1998) 1203–1210; doi:

data_9004492
_publ_section_title
;Description of schoenfliesite, MgSn(OH)6, and roxbyite, Cu1.72S, from a 1375
 BC shipwreck, and rietveld neutron-diffraction refinement of synthetic
 schoenfliesite, wickmanite, MnSn(OH)6, and burtite, CaSn(OH)6 Locality: a
 1375 BC shipwreck
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1203
_journal_page_last               1210
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'a 1375 BC shipwreck'
_chemical_formula_sum            'Ca H6 O6 Sn'
_chemical_name_mineral           Burtite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1221
_cell_length_b                   8.1221
_cell_length_c                   8.1221
_cell_formula_units_Z            4
_cell_volume                     535.803
_database_code_amcsd             0005567
_exptl_crystal_density_diffrn    3.233
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Ca Sn H6 O6'
_cod_database_code               9004492
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A1
Oberti, R.; Hawthorne, F. C.; Camara, F.; Raudsepp, M.; The Canadian Mineralogist 36 (1998) 1245–1252; doi:

data_9004493
_publ_section_title
;
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1245
_journal_page_last               1252
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'Al0.56 Ca1.68 F2 Mg5.06 Na1.8 O22 Si7.44'
_chemical_name_mineral           Fluoro-magnesio-aluminokatophorite
_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                 104.74
_cell_angle_gamma                90
_cell_length_a                   9.845
_cell_length_b                   18.010
_cell_length_c                   5.275
_cell_formula_units_Z            2
_cell_volume                     904.522
_database_code_amcsd             0005568
_exptl_crystal_density_diffrn    3.105
_cod_original_formula_sum        '(Si7.44 Al.56) Mg5.06 Na1.8 Ca1.68 O22 F2'
_cod_database_code               9004493
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A2, Sc-substituted
Oberti, R.; Hawthorne, F. C.; Camara, F.; Raudsepp, M.; The Canadian Mineralogist 36 (1998) 1245–1252; doi:

data_9004494
_publ_section_title
;
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A2, Sc-substituted
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1245
_journal_page_last               1252
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al0.8 Ca0.98 F2 Mg4.15 Na2.76 O22 Sc0.85 Si7.2'
_chemical_name_mineral           Fluoro-magnesio-aluminokatophorite
_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                 104.49
_cell_angle_gamma                90
_cell_length_a                   9.853
_cell_length_b                   18.061
_cell_length_c                   5.295
_cell_formula_units_Z            2
_cell_volume                     912.299
_database_code_amcsd             0005569
_exptl_crystal_density_diffrn    3.115
_cod_original_formula_sum
'(Si7.2 Al.8) (Mg4.15 Sc.85) Na2.76 Ca.98 O22 F2'
_cod_database_code               9004494
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A3, Ga-substituted
Oberti, R.; Hawthorne, F. C.; Camara, F.; Raudsepp, M.; The Canadian Mineralogist 36 (1998) 1245–1252; doi:

data_9004495
_publ_section_title
;
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A3, Ga-substituted
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1245
_journal_page_last               1252
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al0.53 Ca1.72 F2 Ga0.68 Mg4.81 Na2 O22 Si7.04'
_chemical_name_mineral           Fluoro-magnesio-aluminokatophorite
_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                 104.93
_cell_angle_gamma                90
_cell_length_a                   9.866
_cell_length_b                   17.998
_cell_length_c                   5.285
_cell_formula_units_Z            2
_cell_volume                     906.768
_database_code_amcsd             0005570
_exptl_crystal_density_diffrn    3.228
_cod_original_cell_volume        906.767
_cod_original_formula_sum        'Si7.04 Al.53 Ga.68 Mg4.81 Na2 Ca1.72 O22 F2'
_cod_database_code               9004495
Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A4
Oberti, R.; Hawthorne, F. C.; Camara, F.; Raudsepp, M.; The Canadian Mineralogist 36 (1998) 1245–1252; doi:

data_9004496
_publ_section_title
;
 Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive
 effects on mean bond-lengths of octahedra
 Sample: A4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1245
_journal_page_last               1252
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al1.89 Ca2.21 F2 Ga1.01 Mg4.1 Na1.62 O22 Si6'
_chemical_name_mineral           Pargasite
_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                 105.32
_cell_angle_gamma                90
_cell_length_a                   9.850
_cell_length_b                   17.934
_cell_length_c                   5.301
_cell_formula_units_Z            2
_cell_volume                     903.146
_database_code_amcsd             0005571
_exptl_crystal_density_diffrn    3.329
_cod_original_formula_sum
'Si6 Al1.89 Ga1.01 Mg4.1 Ca2.21 Na1.62 O22 F2'
_cod_database_code               9004496
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-4
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004497
_publ_section_title
;
 Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy
 and Rietveld structure-refinement
 Sample: PAM-4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al3.68 Ca0.84 Cl0.84 K0.04 Na3.12 O24.24 S0.03 Si8.32'
_chemical_name_mineral           Scapolite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0415
_cell_length_b                   12.0415
_cell_length_c                   7.5809
_cell_volume                     1099.213
_database_code_amcsd             0005572
_exptl_crystal_density_diffrn    2.594
_cod_original_formula_sum
'(Na3.12 K.04 Ca.84) Si8.32 Al3.68 S.03 Cl.84 O24.24'
_cod_database_code               9004497
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-22
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004498
_publ_section_title
;Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and
 Rietveld structure-refinement Sample: PAM-22
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al3.68 Ca0.92 Cl0.82 K0.16 Na2.92 O24.72 S0.18 Si8.32'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0416
_cell_length_b                   12.0416
_cell_length_c                   7.5810
_cell_volume                     1099.246
_database_code_amcsd             0005573
_exptl_crystal_density_diffrn    2.639
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'(Na2.92 K.16 Ca.92) Si8.32 Al3.68 (Cl.82 S.18) O24.72'
_cod_database_code               9004498
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: TANZ
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004499
_publ_section_title
;Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and
 Rietveld structure-refinement Sample: TANZ
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'C0.12 Al3.84 Ca1.12 Cl0.7 K0.24 Na2.64 O25.84 S0.1 Si8.16'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0642
_cell_length_b                   12.0642
_cell_length_c                   7.5796
_cell_volume                     1103.172
_database_code_amcsd             0005574
_exptl_crystal_density_diffrn    2.681
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'(Na2.64 K.24 Ca1.12) Si8.16 Al3.84 Cl.7 S.1 C.12 O25.84'
_cod_database_code               9004499
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: PAM-5
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004500
_publ_section_title
;Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and
 Rietveld structure-refinement Sample: PAM-5
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al3.92 Ca1.32 Cl0.58 K0.2 Na2.4 O24.52 S0.13 Si8.08'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0739
_cell_length_b                   12.0739
_cell_length_c                   7.5806
_cell_volume                     1105.093
_database_code_amcsd             0005575
_exptl_crystal_density_diffrn    2.601
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'Na2.4 K.2 Ca1.32 Si8.08 Al3.92 Cl.58 S.13 O24.52'
_cod_database_code               9004500
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: MAD
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004501
_publ_section_title
;Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and
 Rietveld structure-refinement Sample: MAD
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'C0.24 Al4.24 Ca1.84 Cl0.47 K0.08 Na2 O27.24 S0.09 Si7.76'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0957
_cell_length_b                   12.0957
_cell_length_c                   7.5730
_cell_volume                     1107.975
_database_code_amcsd             0005576
_exptl_crystal_density_diffrn    2.738
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'Na2 K.08 Ca1.84 Si7.76 Al4.24 Cl.47 S.09 C.24 O27.24'
_cod_database_code               9004501
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld structure-refinement Sample: MIN
Sherriff, B. L.; Sokolova, E. V.; Kabalov, Y. K.; Teertstra, D. K.; Kunath-Fandrei G; Goetz, S.; Jager, C.; The Canadian Mineralogist 36 (1998) 1267–1283; doi:

data_9004502
_publ_section_title
;Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and
 Rietveld structure-refinement Sample: MIN
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1283
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'C0.15 Al4.56 Ca2.24 Cl0.28 K0.16 Na1.52 O28.08 S0.57 Si7.44'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.1224
_cell_length_b                   12.1224
_cell_length_c                   7.5110
_cell_volume                     1103.761
_database_code_amcsd             0005577
_exptl_crystal_density_diffrn    2.835
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'Na1.52 K.16 Ca2.24 Si7.44 Al4.56 (Cl.28 S.57 C.15) O28.08'
_cod_database_code               9004502
Carbonate groups in davyne: Structural and crystal-chemical considerations
Ballirano, P.; Bonaccorsi, E.; Merlino, S.; The Canadian Mineralogist 36 (1998) 1285–1292; doi:

data_9004503
_publ_section_title
;
 Carbonate groups in davyne: Structural and crystal-chemical considerations
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1285
_journal_page_last               1292
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'C0.39 Al3 Ca1.57 Cl1.134 Na2.43 O13.53 S0.09 Si3'
_chemical_name_mineral           Balliranoite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.6916
_cell_length_b                   12.6916
_cell_length_c                   5.3333
_cell_volume                     743.977
_database_code_amcsd             0005578
_exptl_crystal_density_diffrn    2.447
_cod_original_formula_sum
'Si3 Al3 O13.53 Ca1.57 Cl1.134 Na2.43 C.39 S.09'
_cod_database_code               9004503
Thomasclarkite-(Y), a new sodium - rare-earth-element bicarbonate mineral species from Mont Saint-Hilaire, Quebec Note: z-coodinate for OH2 changed.
Grice, J. D.; Gault, R. A.; The Canadian Mineralogist 36 (1998) 1293–1300; doi:

data_9004504
_publ_section_title
;
 Thomasclarkite-(Y), a new sodium - rare-earth-element bicarbonate mineral
 species from Mont Saint-Hilaire, Quebec
 Note: z-coodinate for OH2 changed.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1293
_journal_page_last               1300
_journal_volume                  36
_journal_year                    1998
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C H15 Na O12 Y'
_chemical_name_mineral           Thomasclarkite-(Y)
_space_group_IT_number           3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.15
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.556
_cell_length_b                   13.018
_cell_length_c                   4.556
_cell_volume                     270.215
_database_code_amcsd             0005579
_exptl_crystal_density_diffrn    1.984
_cod_original_formula_sum        'Na Y C O12 H15'
_cod_database_code               9004504
Refinement of the crystal structure of tienshanite: short-range-order constraints on chemical composition
Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 36 (1998) 1305–1310; doi:

data_9004505
_publ_section_title
;
 Refinement of the crystal structure of tienshanite: short-range-order
 constraints on chemical composition
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1305
_journal_page_last               1310
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum            'B12 Ba6 Ca2 F2 K Mn6 Na12 O123 Si36 Ti12'
_chemical_name_mineral           Tienshanite
_space_group_IT_number           175
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   16.785
_cell_length_b                   16.785
_cell_length_c                   10.454
_cell_formula_units_Z            1
_cell_volume                     2550.679
_database_code_amcsd             0005580
_exptl_crystal_density_diffrn    3.431
_cod_original_formula_sum        'Ba6 Ti12 Mn6 Ca2 K Na12 Si36 B12 O123 F2'
_cod_database_code               9004505