LMucko/crystallography-open-database huggingface dataset:
Site confirmation of Fe3+ in a synthetic ferrian aluminian diopside with an application of X-ray anomalous dispersion
Okui, M.; Marumo, F.; Sawada, H.; Ueki, M.; Ishizawa, N.; Mineralogical Journal 19 (1997) 165–172; doi:

data_1544669
_publ_section_title
;
 Site confirmation of Fe3+ in a synthetic ferrian aluminian diopside with
 an application of X-ray anomalous dispersion
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              165
_journal_page_last               172
_journal_volume                  19
_journal_year                    1997
_chemical_formula_sum            'Al0.53 Ca Fe0.37 Mg0.55 O6 Si1.55'
_chemical_name_common
Ca(Mg0.55Fe3+0.34Al0.11)(Si1.55Al0.42Fe3+0.03)O6
_chemical_name_mineral           'ferrian aluminian diopside'
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 106.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.741(1)
_cell_length_b                   8.847(1)
_cell_length_c                   5.306(1)
_cell_volume                     437.38(11)
_cod_data_source_file            Fe-Al-diopside.cif
_cod_data_source_block           Fe-Al-diopside
_cod_original_formula_sum        'Ca Mg0.55 Fe0.37 Al0.53 Si1.55 O6'
_cod_database_code               1544669
Romeite from the Gozaisho mine, Iwaki, Japan
Matsubara, S.; Kato, A.; Shimizu, M.; Sekiuchi, K.; Suzuki, Y.; Mineralogical Journal 18 (1996) 155–160; doi:

data_1544670
_publ_section_title
;
 Romeite from the Gozaisho mine, Iwaki, Japan
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              155
_journal_page_last               160
_journal_volume                  18
_journal_year                    1996
_chemical_formula_sum            'Ca0.8 F0.89 H0.36 Mn0.01 Na O6.15 Sb2'
_chemical_name_common            NaCa0.80Mn0.01Sb2O5.69F0.89(OH)0.36
_chemical_name_mineral           romeite
_space_group_IT_number           227
_space_group_name_H-M_alt        'F d -3 m'
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.265(2)
_cell_length_b                   10.265(2)
_cell_length_c                   10.265(2)
_cell_volume                     1081.6(4)
_cod_data_source_file            romeite.cif
_cod_data_source_block           romeite
_cod_original_formula_sum        'Na Ca0.80 Mn0.01 Sb2 O6.15 F0.89 H0.36'
_cod_database_code               1544670
The crystal structure of the pyroxene-type MnSiO3
Tokonami, M.; Horiuchi, H.; Nakano, A.; Akimoto, S.; Morimoto, N.; Mineralogical Journal 9 (1979) 424–426; doi:

data_1544671
_publ_section_title
;
 The crystal structure of the pyroxene-type MnSiO3
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              424
_journal_page_last               426
_journal_volume                  9
_journal_year                    1979
_chemical_formula_sum            'Mn O3 Si'
_chemical_name_common            MnSiO3
_chemical_name_mineral           'MnSiO3 pyroxene'
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 108.22(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.864(2)
_cell_length_b                   9.17900
_cell_length_c                   5.298(1)
_cell_volume                     455.64(13)
_cod_data_source_file            MnSiO3-px.cif
_cod_data_source_block           MnSiO3-px
_cod_original_formula_sum        'Mn Si O3'
_cod_database_code               1544671
Structure of synthetic rhodonite, Mn0.685Mg0.315SiO3, and compositional transformations in pyroxenoids
Murakami, T.; Takeuchi, Y.; Mineralogical Journal 9 (1979) 286–304; doi:

data_1544672
_publ_section_title
;
 Structure of synthetic rhodonite, Mn0.685Mg0.315SiO3, and compositional
 transformations in pyroxenoids
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              286
_journal_page_last               304
_journal_volume                  9
_journal_year                    1979
_chemical_formula_sum            'Mg0.315 Mn0.685 O3 Si'
_chemical_name_common            Mn0.685Mg0.315SiO3
_chemical_name_mineral           rhodonite
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.69(2)
_cell_angle_beta                 94.32(3)
_cell_angle_gamma                105.71(2)
_cell_formula_units_Z            10
_cell_length_a                   7.545(2)
_cell_length_b                   11.782(3)
_cell_length_c                   6.663(2)
_cell_volume                     567.2(3)
_cod_data_source_file            rhodonite.cif
_cod_data_source_block           rhodonite
_cod_depositor_comments
'OA4 was missing in previous version, so OA4 was added.'
_cod_original_formula_sum        'Mn0.685 Mg0.315 Si O3'
_cod_database_code               1544672
The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type)
Narita, H.; Koto, K.; Morimoto, N.; Mineralogical Journal 8 (1977) 329–342; doi:

data_1544673
_publ_section_title
;
 The crystal structures of MnSiO3 polymorphs (rhodonite- and
 pyroxmangite-type)
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              329
_journal_page_last               342
_journal_volume                  8
_journal_year                    1977
_chemical_formula_sum            'Mn O3 Si'
_chemical_name_common            MnSiO3
_chemical_name_mineral           'MnSiO3 synthetic pyroxmangite'
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.2(1)
_cell_angle_beta                 82.3(1)
_cell_angle_gamma                94.1(1)
_cell_formula_units_Z            14
_cell_length_a                   6.721(2)
_cell_length_b                   7.603(3)
_cell_length_c                   17.4550(6)
_cell_volume                     812.3(7)
_cod_data_source_file            MnSiO3-pyroxmangite.cif
_cod_data_source_block           pyroxmangite
_cod_original_formula_sum        'Mn Si O3'
_cod_database_code               1544673
The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type)
Narita, H.; Koto, K.; Morimoto, N.; Mineralogical Journal 8 (1977) 329–342; doi:

data_1544674
_publ_section_title
;
 The crystal structures of MnSiO3 polymorphs (rhodonite- and
 pyroxmangite-type)
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              329
_journal_page_last               342
_journal_volume                  8
_journal_year                    1977
_chemical_formula_sum            'Mn O3 Si'
_chemical_name_common            MnSiO3
_chemical_name_mineral           'MnSiO3 synthetic rhodonite'
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.55(10)
_cell_angle_beta                 94.35(10)
_cell_angle_gamma                105.67(10)
_cell_formula_units_Z            10
_cell_length_a                   7.616(3)
_cell_length_b                   11.851(5)
_cell_length_c                   6.707(2)
_cell_volume                     579.8(5)
_cod_data_source_file            rhodonite2.cif
_cod_data_source_block           Mn-rhodonite
_cod_original_formula_sum        'Mn Si O3'
_cod_database_code               1544674
The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to the feldspar structure
Haga, N.; Mineralogical Journal 7 (1973) 262–281; doi:

data_1544675
_publ_section_title
;
 The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to
 the feldspar structure
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              262
_journal_page_last               281
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'Al4 Ba Na2 O16 Si4'
_chemical_name_common            BaNa2Al4Si4O16
_chemical_name_mineral           banalsite
_space_group_IT_number           72
_space_group_name_H-M_alt        'I b a m'
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.496(2)
_cell_length_b                   9.983(2)
_cell_length_c                   16.755(3)
_cell_volume                     1421.1(5)
_cod_data_source_file            banalsite.cif
_cod_data_source_block           banalsite
_cod_original_formula_sum        'Ba Na2 Al4 Si4 O16'
_cod_database_code               1544675
Structural investigation of polymorphic transition between 2M2-, 1M- lepidolite and 2M1 muscovite
Takeda, H.; Haga, N.; Sadanaga, R.; Mineralogical Journal 6 (1971) 203–215; doi:

data_1544676
_publ_section_title
;
 Structural investigation of polymorphic transition between 2M2-, 1M-
 lepidolite and 2M1 muscovite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              203
_journal_page_last               215
_journal_volume                  6
_journal_year                    1971
_chemical_formula_sum
'Al2.01 F1.2 H0.8 K0.87 Li1.05 Na0.12 O10.4 Si3.39'
_chemical_name_common            'lepidolite 2M2'
_chemical_name_mineral           'lepidolite 2M2'
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 99.8(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.032(2)
_cell_length_b                   5.200(3)
_cell_length_c                   20.15(4)
_cell_volume                     933(2)
_cod_data_source_file            lepidolite-2M2.cif
_cod_data_source_block           lepidolite-2M2
_cod_original_formula_sum
'K0.87 Na0.12 Li1.05 Al2.01 Si3.39 O10.4 F1.2 H0.8'
_cod_database_code               1544676
Fluor-polylithionite: a lithium mica with nearly hexagonal (Si2O5)2- ring
Takeda, H.; Burnham, C.W.; Mineralogical Journal 6 (1969) 102–109; doi:

data_1544677
_publ_section_title
;
 Fluor-polylithionite: a lithium mica with nearly hexagonal (Si2O5)2- ring
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              102
_journal_page_last               109
_journal_volume                  6
_journal_year                    1969
_chemical_formula_sum            'Al F2 K Li2 O10 Si4'
_chemical_name_common            'KAlLi2Si4O10F2 lithium mica'
_chemical_name_mineral           fluor-polylithionite
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_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                 100.45(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.188(4)
_cell_length_b                   8.968(3)
_cell_length_c                   10.029(5)
_cell_volume                     458.9(5)
_cod_data_source_file            KAlLi2Si4O10F2.cif
_cod_data_source_block           KAlLi2Si4O10F2
_cod_original_formula_sum        'K Al Li2 Si4 O10 F2'
_cod_database_code               1544677
The crystal structure of shattuckite
Kawahara, A.; Mineralogical Journal 8 (1976) 193–199; doi:

data_1544678
_publ_section_title
;
 The crystal structure of shattuckite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              193
_journal_page_last               199
_journal_volume                  8
_journal_year                    1976
_chemical_formula_sum            'Cu5 H2 O14 Si4'
_chemical_name_common            Cu5(OH)2(SiO3)4
_chemical_name_mineral           shattuckite
_space_group_IT_number           61
_space_group_name_H-M_alt        'P c a b'
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.88(2)
_cell_length_b                   19.82(4)
_cell_length_c                   5.40(1)
_cell_volume                     1057(4)
_cod_data_source_file            shattuckite.cif
_cod_data_source_block           shattuckite
_cod_original_formula_sum        'Cu5 Si4 H2 O14'
_cod_database_code               1544678
Crystal structure of sugilite : O3 z corrected from 0.1072 to 0.172
Kato, T.; Miura, Y.; Murakami, N.; Mineralogical Journal 8 (1976) 184–192; doi:

data_1544679
_publ_section_title
;
 Crystal structure of sugilite : O3 z corrected from 0.1072 to 0.172
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              184
_journal_page_last               192
_journal_volume                  8
_journal_year                    1976
_chemical_formula_sum            'Al1.77 Fe3.51 K0.81 Li6.36 Na2.65 O30 Si12'
_chemical_name_common
(K0.81Na0.19)(H2O0.91Na0.64)2(Fe3+1.32Na0.59Ti0.06Fe0.03)2(Li2.12Al0.59Fe0.29)3Si12O30
_chemical_name_mineral           sugilite
_space_group_IT_number           192
_space_group_name_H-M_alt        'P 6/m c c'
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.007(2)
_cell_length_b                   10.007(2)
_cell_length_c                   14.000(2)
_cell_volume                     1214.1(4)
_cod_data_source_file            sugilite.cif
_cod_data_source_block           sugilite
_cod_original_formula_sum        'K0.81 Na2.65 Fe3.51 Li6.36 Al1.77 Si12 O30'
_cod_database_code               1544679
The crystal structures of adamite and paradamite
Kato, T.; Miura, Y.; Mineralogical Journal 8 (1977) 320–328; doi:

data_1544680
_publ_section_title
;
 The crystal structures of adamite and paradamite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              320
_journal_page_last               328
_journal_volume                  8
_journal_year                    1977
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_common            Zn2(OH)AsO4
_chemical_name_mineral           adamite
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.386(5)
_cell_length_b                   8.552(4)
_cell_length_c                   6.036(4)
_cell_volume                     432.9(4)
_cod_data_source_file            adamite_older.cif
_cod_data_source_block           adamite
_cod_original_formula_sum        'Zn2 As H O5'
_cod_database_code               1544680
The crystal structures of adamite and paradamite
Kato, T.; Miura, Y.; Mineralogical Journal 8 (1977) 320–328; doi:

data_1544681
_publ_section_title
;
 The crystal structures of adamite and paradamite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              320
_journal_page_last               328
_journal_volume                  8
_journal_year                    1977
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_common            Zn2(OH)AsO4
_chemical_name_mineral           paradamite
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.73(2)
_cell_angle_beta                 92.26(1)
_cell_angle_gamma                76.81(1)
_cell_formula_units_Z            2
_cell_length_a                   5.830(1)
_cell_length_b                   6.711(2)
_cell_length_c                   5.648(1)
_cell_volume                     208.04(8)
_cod_data_source_file            paramadite_older.cif
_cod_data_source_block           paradamite
_cod_original_formula_sum        'Zn2 As H O5'
_cod_database_code               1544681
Structural studies of brittle micas (I) The structure of xanthophyllite refined
Takeuchi, Y.; Sadanaga, R.; Mineralogical Journal 4 (1966) 424–437; doi:

data_1544682
_publ_section_title
;
 Structural studies of brittle micas (I) The structure of xanthophyllite
 refined
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              424
_journal_page_last               437
_journal_volume                  4
_journal_year                    1966
_chemical_formula_sum            'Al3.67 Ca1.1 H2 Mg2.18 O12 Si1.05'
_chemical_name_common            Ca1.1Mg2.18Al0.72(Al2.95Si1.05)O10(OH)2
_chemical_name_mineral           xanthophyllite
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_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                 100.1(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.194(5)
_cell_length_b                   9.00(1)
_cell_length_c                   9.80(1)
_cell_volume                     451.0(8)
_cod_data_source_file            xanthophyllite.cif
_cod_data_source_block           xanthophyllite
_cod_original_formula_sum        'Ca1.1 Mg2.18 Al3.67 Si1.05 H2 O12'
_cod_database_code               1544682
The crystal structure of antlerite
Araki, T.; Mineralogical Journal 3 (1961) 223–235; doi:

data_1544683
_publ_section_title
;
 The crystal structure of antlerite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              223
_journal_page_last               235
_journal_volume                  3
_journal_year                    1961
_chemical_formula_sum            'Cu3 H4 O8 S'
_chemical_name_common            Cu3(SO4)(OH)4
_chemical_name_mineral           antlerite
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.23(2)
_cell_length_b                   12.00(2)
_cell_length_c                   6.03(1)
_cell_volume                     596(2)
_cod_data_source_file            antlerite.cif
_cod_data_source_block           antlerite
_cod_original_formula_sum        'Cu3 S H4 O8'
_cod_database_code               1544683
The crystal structure of vonsenite
Takeuchi, Y.; Mineralogical Journal 2 (1956) 19–26; doi:

data_1544684
_publ_section_title
;
 The crystal structure of vonsenite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              19
_journal_page_last               26
_journal_volume                  2
_journal_year                    1956
_chemical_formula_sum            'B4 Fe9 Mg3 O20'
_chemical_name_common            8(Fe0.625Mg0.375)O*2Fe2O3*2B2O3
_chemical_name_mineral           vonsenite
_space_group_IT_number           55
_space_group_name_H-M_alt        'P b a m'
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.73000
_cell_length_b                   12.35700
_cell_length_c                   3.05500
_cell_volume                     367.314
_cod_data_source_file            vonsenite.cif
_cod_data_source_block           vonsenite
_cod_original_formula_sum        'Fe9 Mg3 B4 O20'
_cod_database_code               1544684
X-ray study of the alpha-beta transition of Ag2S
Sadanaga, R.; Sueno, S.; Mineralogical Journal 5 (1967) 124–148; doi:

data_1544685
_publ_section_title
;
 X-ray study of the alpha-beta transition of Ag2S
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              124
_journal_page_last               148
_journal_volume                  5
_journal_year                    1967
_chemical_formula_sum            'Ag2 S'
_chemical_name_common            Ag2S
_chemical_name_mineral           'Ag2S alpha'
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 125.50000
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.23100
_cell_length_b                   6.93000
_cell_length_c                   9.52600
_cell_volume                     227.391
_cod_data_source_file            Ag2S.cif
_cod_data_source_block           Ag2S-alpha
_cod_database_code               1544685
Absolute structure of ullmanite, NiSbS
Takeuchi, Y.; Mineralogical Journal 2 (1957) 90–102; doi:

data_1544687
_publ_section_title
;
 Absolute structure of ullmanite, NiSbS
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              90
_journal_page_last               102
_journal_volume                  2
_journal_year                    1957
_chemical_formula_sum            'Ni S Sb'
_chemical_name_common            NiSbS
_chemical_name_mineral           ullmanite
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.881(2)
_cell_length_b                   5.881(2)
_cell_length_c                   5.881(2)
_cell_volume                     203.40(12)
_cod_data_source_file            ullmanite.cif
_cod_data_source_block           NiSbS
_cod_original_formula_sum        'Ni Sb S'
_cod_database_code               1544687