LMucko/crystallography-open-database huggingface dataset:
From structure topology to chemical composition. II. Titanium silicates: revision of the crystal structure and chemical formula of delindeite
Sokolova, E.; Camara, F.; The Canadian Mineralogist 45 (2007) 1247–1261; doi:10.2113/gscanmin.45.5.1247

data_9010635
_publ_section_title
;
 From structure topology to chemical composition. II. Titanium silicates:
 revision of the crystal structure and chemical formula of delindeite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1247
_journal_page_last               1261
_journal_paper_doi               10.2113/gscanmin.45.5.1247
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source
'Mt. Yuksporr, Khibina alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Al0.1 Ba3.84 F1.32 Fe0.34 H13.58 K0.52 Mn0.04 Na2.66 Nb0.26 O38.04 Si8 Ti5.4'
_chemical_name_mineral           Delindeite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.975
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6968
_cell_length_b                   13.7535
_cell_length_c                   21.5758
_cell_volume                     3166.562
_database_code_amcsd             0006156
_exptl_crystal_density_diffrn    3.749
_cod_original_formula_sum
'Ba3.84 K.52 Na2.66 Mn.04 Fe.34 Ti5.4 Nb.26 Al.1 Si8 O38.04 F1.32 H13.58'
_cod_database_code               9010635
Demartinite, a new polymorph of K2SiF6 from La Fossa Crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy
Gramaccioli, C. M.; Campostrini, I.; The Canadian Mineralogist 45 (2007) 1275–1280; doi:10.2113/gscanmin.45.5.1275

data_9010636
_publ_section_title
;Demartinite, a new polymorph of K2SiF6 from La Fossa Crater, Vulcano, Aeolian
 Islands, Italy Locality: La Fossa Crater, Vulcano Island, Aeolian
 Archipelago, Sicily, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1275
_journal_page_last               1280
_journal_paper_doi               10.2113/gscanmin.45.5.1275
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source
'La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy'
_chemical_formula_sum            'F6 K2 Si'
_chemical_name_mineral           Demartinite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.6461
_cell_length_b                   5.6461
_cell_length_c                   9.2322
_cell_formula_units_Z            2
_cell_volume                     254.878
_database_code_amcsd             0006157
_exptl_crystal_density_diffrn    2.870
_cod_original_formula_sum        'K2 Si F6'
_cod_database_code               9010636
Martinite, a new hydrated sodium calcium fluorborosilicate species from Mont Saint-Hilaire, Quebec: description, structure determination and genetic implications Note: changed F(y) to match reported bond distances Locality: Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada
McDonald, A. M.; Chao, G. Y.; The Canadian Mineralogist 45 (2007) 1281–1292; doi:10.2113/gscanmin.45.5.1281

data_9010637
_publ_section_title
;Martinite, a new hydrated sodium calcium fluorborosilicate species from Mont
 Saint-Hilaire, Quebec: description, structure determination and genetic
 implications Note: changed F(y) to match reported bond distances Locality:
 Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1281
_journal_page_last               1292
_journal_paper_doi               10.2113/gscanmin.45.5.1281
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source
'Poudrette quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada'
_chemical_formula_sum            'B2.84 Ca4.58 F2 H5.96 Na9.34 O44 Si13.16'
_chemical_name_mineral           Martinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.943
_cell_angle_beta                 74.154
_cell_angle_gamma                119.780
_cell_formula_units_Z            1
_cell_length_a                   9.5437
_cell_length_b                   9.5349
_cell_length_c                   14.0268
_cell_volume                     1038.084
_database_code_amcsd             0006158
_exptl_crystal_density_diffrn    2.474
_cod_original_formula_sum        'Na9.34 Ca4.58 Si13.16 B2.84 F2 O44 H5.96'
_cod_database_code               9010637
The crystal structure of tvalchrelidzeite, Hg3SbAsS3, and a revision of its chemical formula
Yang, H.; Downs, R. T.; Costin, G.; Eichler, C. M.; The Canadian Mineralogist 45 (2007) 1529–1533; doi:10.3749/canmin.45.6.1529

data_9010638
_publ_section_title
;
 The crystal structure of tvalchrelidzeite, Hg3SbAsS3, and a revision of its
 chemical formula
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1529
_journal_page_last               1533
_journal_paper_doi               10.3749/canmin.45.6.1529
_journal_volume                  45
_journal_year                    2007
_chemical_compound_source
'Gomi deposit, Rioni River Valley, Caucacus Mountains, Georgia'
_chemical_formula_sum            'As Hg3 S3 Sb'
_chemical_name_mineral           Tvalchrelidzeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.845
_cell_angle_gamma                90
_cell_length_a                   11.5526
_cell_length_b                   4.3852
_cell_length_c                   15.6373
_cell_formula_units_Z            4
_cell_volume                     791.782
_database_code_amcsd             0006159
_exptl_crystal_density_diffrn    7.505
_cod_original_formula_sum        'Hg3 Sb As S3'
_cod_database_code               9010638
The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite Locality: Dattaw mine, Mogok Stone Tract, Mandalay Division, Myanmar
Hawthorne, F. C.; Harlow, G. E.; The Canadian Mineralogist 46 (2008) 151–162; doi:10.3749/canmin.46.1.151

data_9010639
_publ_section_title
;The crystal chemistry of Al-rich amphiboles: sadanagaite and
 potassic-ferrisadanagaite Locality: Dattaw mine, Mogok Stone Tract, Mandalay
 Division, Myanmar
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              151
_journal_page_last               162
_journal_paper_doi               10.3749/canmin.46.1.151
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Dattaw mine, Mogok Stone Tract, Mandalay Division, Myanmar'
_chemical_formula_sum
;Al3.7 Ca1.95 Cr0.07 F0.42 Fe0.22 H1.58 K0.17 Mg3.35 Na0.86 O23.58 Si5.5
 Ti0.16
;
_chemical_name_mineral           Magneiosadanagaite
_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                 105.36
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.857
_cell_length_b                   17.899
_cell_length_c                   5.318
_cell_volume                     904.743
_database_code_amcsd             0006160
_exptl_crystal_density_diffrn    3.123
_cod_original_formula_sum
'Na.86 K.17 Ca1.95 Mg3.35 Fe.22 Al3.7 Ti.16 Cr.07 Si5.5 O23.58 (F.42 H1.58)'
_cod_database_code               9010639
The crystal chemistry of Al-rich amphiboles: sadanagaite and potassic-ferrisadanagaite Locality: Ilmen alkaline massif, South Urals, Russia
Hawthorne, F. C.; Harlow, G. E.; The Canadian Mineralogist 46 (2008) 151–162; doi:10.3749/canmin.46.1.151

data_9010640
_publ_section_title
;The crystal chemistry of Al-rich amphiboles: sadanagaite and
 potassic-ferrisadanagaite Locality: Ilmen alkaline massif, South Urals,
 Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              151
_journal_page_last               162
_journal_paper_doi               10.3749/canmin.46.1.151
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Ilmen alkaline massif, South Urals, Russia'
_chemical_formula_sum
;Al3.62 Ca1.72 F0.3 Fe3.11 H1.7 K0.62 Mg0.68 Mn0.26 Na0.6 O23.7 Si5.1 Ti0.21
 Zn0.02
;
_chemical_name_mineral           Potassic-ferrisadanagaite
_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                 105.19
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9257
_cell_length_b                   18.0917
_cell_length_c                   5.3709
_cell_volume                     930.771
_database_code_amcsd             0006161
_exptl_crystal_density_diffrn    3.391
_cod_original_formula_sum
'K.62 Na.6 Ca1.72 Mg.68 Fe3.11 Mn.26 Al3.62 Ti.21 Zn.02 Si5.1 O23.7 F.3 H1.7'
_cod_database_code               9010640
The crystal chemistry of faizievite, K2Li6Na(Ca6Na)Ti4[Si6O18]2[Si12O30]F2, a novel structure based on intercalated blocks of the baratovite and berezanskite structures Locality: Dara-i-Poiz glacier, Alai mountain ridge, Tien-Shan Mountains, Tajikistan
Uvarova Yu, A.; Sokolova, E.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.; The Canadian Mineralogist 46 (2008) 163–171; doi:10.3749/canmin.46.1.163

data_9010641
_publ_section_title
;The crystal chemistry of faizievite, K2Li6Na(Ca6Na)Ti4[Si6O18]2[Si12O30]F2, a
 novel structure based on intercalated blocks of the baratovite and
 berezanskite structures Locality: Dara-i-Poiz glacier, Alai mountain ridge,
 Tien-Shan Mountains, Tajikistan
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              163
_journal_page_last               171
_journal_paper_doi               10.3749/canmin.46.1.163
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Dara-i-Poiz glacier, Alai mountain ridge, Tien-Shan Mountains, Tajikistan'
_chemical_formula_sum
'Ba0.04 Ca6.16 F1.63 K1.93 Li6 Na2.39 O66.37 Rb0.03 Si24 Sr0.17 Ti4'
_chemical_name_mineral           Faizievite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.209
_cell_angle_beta                 94.670
_cell_angle_gamma                119.839
_cell_formula_units_Z            1
_cell_length_a                   9.8156
_cell_length_b                   9.8249
_cell_length_c                   17.3087
_cell_volume                     1403.743
_database_code_amcsd             0006162
_exptl_crystal_density_diffrn    2.839
_cod_original_formula_sum
'Li6 (K1.93 Ba.04 Rb.03) Na2.39 Ca6.16 Sr.17 Ti4 Si24 O66.37 F1.63'
_cod_database_code               9010641
The crystal structures of synthetic potassium - transition-metal zippeite-group phases Sample: K-Co
Peeters, O. M.; Vochten, R.; Blaton, N.; The Canadian Mineralogist 46 (2008) 173–182; doi:10.3749/canmin.46.1.173

data_9010642
_publ_section_title
;The crystal structures of synthetic potassium - transition-metal
 zippeite-group phases Sample: K-Co
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              173
_journal_page_last               182
_journal_paper_doi               10.3749/canmin.46.1.173
_journal_volume                  46
_journal_year                    2008
_chemical_formula_structural     Co0.75K0.5SU2O13H6
_chemical_formula_sum            'Co1.206 H14 K0.77 O26.07 S2 U4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.14
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.651
_cell_length_b                   14.188
_cell_length_c                   17.713
_cell_volume                     2108.229
_database_code_amcsd             0006163
_exptl_crystal_density_diffrn    4.879
_cod_original_formula_sum        'K.77 Co1.206 U4 S2 O26.07 H14'
_cod_database_code               9010642
_amcsd_formula_title             Co0.75K0.5SU2O13H6
The crystal structures of synthetic potassium - transition-metal zippeite-group phases Sample: K-Mn
Peeters, O. M.; Vochten, R.; Blaton, N.; The Canadian Mineralogist 46 (2008) 173–182; doi:10.3749/canmin.46.1.173

data_9010643
_publ_section_title
;The crystal structures of synthetic potassium - transition-metal
 zippeite-group phases Sample: K-Mn
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              173
_journal_page_last               182
_journal_paper_doi               10.3749/canmin.46.1.173
_journal_volume                  46
_journal_year                    2008
_chemical_formula_structural     Mn0.75K0.5SU2O13H6
_chemical_formula_sum            'H14 K0.778 Mn1.216 O25.94 S2 U4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.661
_cell_length_b                   14.375
_cell_length_c                   17.705
_cell_volume                     2137.707
_database_code_amcsd             0006164
_exptl_crystal_density_diffrn    4.793
_cod_original_formula_sum        'K.778 Mn1.216 U4 S2 O25.94 H14'
_cod_database_code               9010643
_amcsd_formula_title             Mn0.75K0.5SU2O13H6
The crystal structures of synthetic potassium - transition-metal zippeite-group phases Sample: K-Ni
Peeters, O. M.; Vochten, R.; Blaton, N.; The Canadian Mineralogist 46 (2008) 173–182; doi:10.3749/canmin.46.1.173

data_9010644
_publ_section_title
;The crystal structures of synthetic potassium - transition-metal
 zippeite-group phases Sample: K-Ni
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              173
_journal_page_last               182
_journal_paper_doi               10.3749/canmin.46.1.173
_journal_volume                  46
_journal_year                    2008
_chemical_formula_structural     Ni0.75K0.5SU2O13H6
_chemical_formula_sum            'H14 K0.598 Ni1.083 O26.08 S2 U4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.18
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.662
_cell_length_b                   14.095
_cell_length_c                   17.770
_cell_volume                     2103.451
_database_code_amcsd             0006165
_exptl_crystal_density_diffrn    4.846
_cod_original_formula_sum        'K.598 Ni1.083 U4 S2 O26.08 H14'
_cod_database_code               9010644
_amcsd_formula_title             Ni0.75K0.5SU2O13H6
The crystal structures of synthetic potassium - transition-metal zippeite-group phases Sample: K-Zn
Peeters, O. M.; Vochten, R.; Blaton, N.; The Canadian Mineralogist 46 (2008) 173–182; doi:10.3749/canmin.46.1.173

data_9010645
_publ_section_title
;The crystal structures of synthetic potassium - transition-metal
 zippeite-group phases Sample: K-Zn
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              173
_journal_page_last               182
_journal_paper_doi               10.3749/canmin.46.1.173
_journal_volume                  46
_journal_year                    2008
_chemical_formula_structural     Zn0.75K0.5SU2O13H6
_chemical_formula_sum            'H14 K0.74 O25.95 S2 U4 Zn1.148'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.14
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.650
_cell_length_b                   14.180
_cell_length_c                   17.709
_cell_volume                     2106.321
_database_code_amcsd             0006166
_exptl_crystal_density_diffrn    4.886
_cod_original_formula_sum        'K.74 Zn1.148 U4 S2 O25.95 H14'
_cod_database_code               9010645
_amcsd_formula_title             Zn0.75K0.5SU2O13H6
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure Sample: HRPXRD, T = 25 C
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 46 (2008) 183–193; doi:10.3749/canmin.46.1.183

data_9010646
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: HRPXRD, T = 25 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              183
_journal_page_last               193
_journal_paper_doi               10.3749/canmin.46.1.183
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum            'C B3 Ca4 Mn3 O15'
_chemical_name_mineral           Gaudefroyite
_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                   10.60791
_cell_length_b                   10.60791
_cell_length_c                   5.88603
_cell_volume                     573.605
_database_code_amcsd             0006167
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.529
_cod_original_formula_sum        'Ca4 B3 Mn3 C O15'
_cod_database_code               9010646
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure Sample: T = 25 C
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 46 (2008) 183–193; doi:10.3749/canmin.46.1.183

data_9010647
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: T = 25 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              183
_journal_page_last               193
_journal_paper_doi               10.3749/canmin.46.1.183
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum            'C B3 Ca4 Mn3 O15'
_chemical_name_mineral           Gaudefroyite
_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                   10.60074
_cell_length_b                   10.60074
_cell_length_c                   5.88402
_cell_volume                     572.634
_database_code_amcsd             0006168
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.535
_cod_original_formula_sum        'Ca4 B3 Mn3 C O15'
_cod_database_code               9010647
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure Sample: T = 59 C
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 46 (2008) 183–193; doi:10.3749/canmin.46.1.183

data_9010648
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: T = 59 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              183
_journal_page_last               193
_journal_paper_doi               10.3749/canmin.46.1.183
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum            'C B3 Ca4 Mn3 O15'
_chemical_name_mineral           Gaudefroyite
_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                   10.60643
_cell_length_b                   10.60643
_cell_length_c                   5.88761
_cell_volume                     573.599
_database_code_amcsd             0006169
_diffrn_ambient_temperature      332.15
_exptl_crystal_density_diffrn    3.529
_cod_original_formula_sum        'Ca4 B3 Mn3 C O15'
_cod_database_code               9010648
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure Sample: T = 93 C
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 46 (2008) 183–193; doi:10.3749/canmin.46.1.183

data_9010649
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: T = 93 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              183
_journal_page_last               193
_journal_paper_doi               10.3749/canmin.46.1.183
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum            'C B3 Ca4 Mn3 O15'
_chemical_name_mineral           Gaudefroyite
_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                   10.61129
_cell_length_b                   10.61129
_cell_length_c                   5.89062
_cell_volume                     574.418
_database_code_amcsd             0006170
_diffrn_ambient_temperature      366.15
_exptl_crystal_density_diffrn    3.524
_cod_original_formula_sum        'Ca4 B3 Mn3 C O15'
_cod_database_code               9010649
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure Sample: T = 145 C
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 46 (2008) 183–193; doi:10.3749/canmin.46.1.183

data_9010650
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: T = 145 C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              183
_journal_page_last               193
_journal_paper_doi               10.3749/canmin.46.1.183
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source
'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum            'C B3 Ca4 Mn3 O15'
_chemical_name_mineral           Gaudefroyite
_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                   10.61864
_cell_length_b                   10.61864
_cell_length_c                   5.89528
_cell_volume                     575.669
_database_code_amcsd             0006171
_diffrn_ambient_temperature      418.15
_exptl_crystal_density_diffrn    3.517
_cod_original_formula_sum        'Ca4 B3 Mn3 C O15'
_cod_database_code               9010650