LMucko/crystallography-open-database huggingface dataset:
The Nature of Pr Cl2.3 Revisited
Meyer, G.; Schleid, T.; Kraemer, K.; Journal of the Less-Common Metals 149 (1989) 67–71; doi:

data_1530415
_publ_section_title
;
 The Nature of Pr Cl2.3 Revisited
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              67
_journal_page_last               71
_journal_volume                  149
_journal_year                    1989
_chemical_formula_sum            'Cl3 Pr1.29'
_chemical_name_systematic        'Pr1.29 Cl3'
_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                   7.417
_cell_length_b                   7.417
_cell_length_c                   4.272
_cell_volume                     203.525
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Meyer_JCOMAH_1989_1800.cif
_cod_data_source_block           Cl3Pr1.29
_cod_original_cell_volume        203.5253
_cod_database_code               1530415
A single-crystal neutron-diffraction study of the crystal structure of tetragonal K H2 P O4 at high pressure (14 kbar)
Meyer, G.M.; Vettier, C.; Nelmes, R.J.; Journal of Physics C 13 (1980) 4035–4051; doi:

data_1530416
_publ_section_title
;
 A single-crystal neutron-diffraction study of the crystal structure of
 tetragonal K H2 P O4 at high pressure (14 kbar)
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              4035
_journal_page_last               4051
_journal_volume                  13
_journal_year                    1980
_chemical_formula_sum            'H2 K O4 P'
_chemical_name_systematic        'K (H2 P O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.34
_cell_length_b                   7.34
_cell_length_c                   6.975
_cell_volume                     375.782
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Meyer_JPSOAW_1980_758.cif
_cod_data_source_block           H2K1O4P1
_cod_original_cell_volume        375.7823
_cod_original_formula_sum        'H2 K1 O4 P1'
_cod_database_code               1530416
Zur Struktursystematik der Elpasolith-Familie (I). Neue Chloride A(I)2 B(I) M(III) Cl6 (A(I) = Rb, Tl, In, K, B(I) = Li, Ag, Na)
Meyer, G.; Dietzel, E.; Revue de Chimie Minerale 16 (1979) 189–202; doi:

data_1530417
_publ_section_title
;
 Zur Struktursystematik der Elpasolith-Familie (I). Neue Chloride A(I)2
 B(I) M(III) Cl6 (A(I) = Rb, Tl, In, K, B(I) = Li, Ag, Na)
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              189
_journal_page_last               202
_journal_volume                  16
_journal_year                    1979
_chemical_formula_sum            'Cl6 Na Rb2 Tm'
_chemical_name_systematic        'Rb2 Na Tm Cl6'
_space_group_IT_number           125
_symmetry_space_group_name_Hall  'P 4 2 -1ab'
_symmetry_space_group_name_H-M   'P 4/n b m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.53
_cell_length_b                   10.53
_cell_length_c                   10.599
_cell_volume                     1175.227
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Meyer_RVCMA8_1979_431.cif
_cod_data_source_block           Cl6Na1Rb2Tm1
_cod_original_sg_symbol_Hall     '-P 4a 2b (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'Cl6 Na1 Rb2 Tm1'
_cod_database_code               1530417
Molecular spectra and X-ray study of the alkali hydrogen selenites M H Se O3
Micka, Z.; Danek, M.; Podlahova, J.; Loub, J.; Strauch, B.; Hasek, J.; Journal of Solid State Chemistry 77 (1988) 306–315; doi:

data_1530418
_publ_section_title
;
 Molecular spectra and X-ray study of the alkali hydrogen selenites M H Se
 O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              306
_journal_page_last               315
_journal_volume                  77
_journal_year                    1988
_chemical_formula_sum            'Cs H O3 Se'
_chemical_name_systematic        'Cs H Se O3'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.431
_cell_length_b                   14.031
_cell_length_c                   4.82
_cell_volume                     434.925
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Micka_JSSCBI_1988_1688.cif
_cod_data_source_block           H1Cs1O3Se1
_cod_original_cell_volume        434.9248
_cod_original_formula_sum        'H1 Cs1 O3 Se1'
_cod_database_code               1530418
Crystal structure of vanadium(III)tris(metaphosphate)
Middlemiss, N.; Hawthorne, F.C.; Calvo, C.; Canadian Journal of Chemistry 55 (1977) 1673–1679; doi:

data_1530419
_publ_section_title
;
 Crystal structure of vanadium(III)tris(metaphosphate)
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1673
_journal_page_last               1679
_journal_volume                  55
_journal_year                    1977
_chemical_formula_sum            'O9 P3 V'
_chemical_name_systematic        'V (P O3)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2yc'
_symmetry_space_group_name_H-M   'I 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.94
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   10.615
_cell_length_b                   19.095
_cell_length_c                   9.432
_cell_volume                     1893.476
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Middlemiss_CJCHAG_1977_107.cif
_cod_data_source_block           O9P3V1
_cod_original_sg_symbol_Hall     'C -2yc (x,y,-x+z)'
_cod_original_formula_sum        'O9 P3 V1'
_cod_database_code               1530419
Redetermination of the crystal structure of Cs2 ((U O2)2 F6 (H2 O)2)
Mikhailov, Yu.N.; Ivanov, S.B.; Sadikov, G.G.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 5 (1979) 1702–1705; doi:

data_1530420
_publ_section_title
;
 Redetermination of the crystal structure of Cs2 ((U O2)2 F6 (H2 O)2)
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1702
_journal_page_last               1705
_journal_volume                  5
_journal_year                    1979
_chemical_formula_sum            'Cs2 F6 H4 O6 U2'
_chemical_name_systematic        'Cs2 ((U O2)2 F6 (H2 O)2)'
_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                 95.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.027
_cell_length_b                   11.505
_cell_length_c                   9.389
_cell_volume                     647.798
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Mikhailov_KOKHDC_1979_546.cif
_cod_data_source_block           H4Cs2F6O6U2
_cod_original_cell_volume        647.7976
_cod_original_formula_sum        'H4 Cs2 F6 O6 U2'
_cod_database_code               1530420
The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4)
Mikhailov, Yu.N.; Kuznetsov, V.G.; Zhurnal Neorganicheskoi Khimii 16 (1971) 2512–2516; doi:

data_1530421
_publ_section_title
;
 The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2512
_journal_page_last               2516
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'Br4 Cs2 O2 U'
_chemical_name_systematic        'Cs2 (U O2 Br4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.959
_cell_length_b                   9.806
_cell_length_c                   6.415
_cell_volume                     605.608
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Mikhailov_ZNOKAQ_1971_891.cif
_cod_data_source_block           Br4Cs2O2U1
_cod_original_cell_volume        605.6075
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Br4 Cs2 O2 U1'
_cod_database_code               1530421
A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6
Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A.; Zhurnal Neorganicheskoi Khimii 27 (1982) 2343–2347; doi:

data_1530422
_publ_section_title
;
 A Preliminary determination of the crystal structures of uranyl complexes
 with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10
 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2343
_journal_page_last               2347
_journal_volume                  27
_journal_year                    1982
_chemical_formula_sum            'B12 H34 O13 U'
_chemical_name_systematic        'U O2 B12 H12 (H2 O)11'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.76
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.513
_cell_length_b                   9.641
_cell_length_c                   9.705
_cell_volume                     1201.634
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Mikhailov_ZNOKAQ_1982_932.cif
_cod_data_source_block           H34B12O13U1
_cod_original_formula_sum        'H34 B12 O13 U1'
_cod_database_code               1530422
New ternary carbides Zr Al C(2-x) and Hf Al C(2-x) and their crystal structure
Mikhalenko, S.I.; Popov, V.E.; Kuz'ma, Yu.B.; Nechitailov, A.P.; Gurin, V.N.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 15 (1979) 1948–1951; doi:

data_1530423
_publ_section_title
;
 New ternary carbides Zr Al C(2-x) and Hf Al C(2-x) and their crystal
 structure
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1948
_journal_page_last               1951
_journal_volume                  15
_journal_year                    1979
_chemical_formula_sum            'C1.77 Al Zr'
_chemical_name_systematic        'Zr Al C1.77'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.347
_cell_length_b                   3.347
_cell_length_c                   27.65
_cell_volume                     268.248
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Mikhalenko_IVNMAW_1979_587.cif
_cod_data_source_block           C1.77Al1Zr1
_cod_original_cell_volume        268.2484
_cod_original_formula_sum        'C1.77 Al1 Zr1'
_cod_database_code               1530423
The crystal structure of copper iodide triselenide Cu I Se3, a reactant in an n-Cu In Se2 based solar cell
Milius, W.; Rabenau, A.; Materials Research Bulletin 22 (1987) 1493–1497; doi:

data_1530424
_publ_section_title
;
 The crystal structure of copper iodide triselenide Cu I Se3, a reactant
 in an n-Cu In Se2 based solar cell
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1493
_journal_page_last               1497
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'Cu I Se3'
_chemical_name_systematic        '(Cu I) (Se3)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   14.079
_cell_length_b                   14.079
_cell_length_c                   14.187
_cell_volume                     2435.369
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Milius_MRBUAC_1987_1499.cif
_cod_data_source_block           Cu1I1Se3
_cod_original_formula_sum        'Cu1 I1 Se3'
_cod_database_code               1530424
Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12
Mill', B.V.; Belokoneva, E.L.; Simonov, M.A.; Belov, N.V.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 18 (1977) 399–402; doi:

data_1530425
_publ_section_title
;
 Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3
 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              399
_journal_page_last               402
_journal_volume                  18
_journal_year                    1977
_chemical_formula_sum            'Ca3 Ge3 O12 Sc2'
_chemical_name_systematic        'Ca3 Sc2 (Ge O4)3'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.512
_cell_length_b                   12.512
_cell_length_c                   12.512
_cell_volume                     1958.755
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Mill_ZSTKAI_1977_1360.cif
_cod_data_source_block           Ca3Ge3O12Sc2
_cod_database_code               1530425
Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12
Mill', B.V.; Belokoneva, E.L.; Belov, N.V.; Simonov, M.A.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 18 (1977) 399–402; doi:

data_1530426
_publ_section_title
;
 Refined crystal structures of the scandium garnets Ca3 Sc Si3 O12, Ca3
 Sc2 Ge3 O12 and Cd3 Sc2 Ge3 O12
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              399
_journal_page_last               402
_journal_volume                  18
_journal_year                    1977
_chemical_formula_sum            'Cd3 Ge3 O12 Sc2'
_chemical_name_systematic        'Cd3 Sc2 (Ge O4)3'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.458
_cell_length_b                   12.458
_cell_length_c                   12.458
_cell_volume                     1933.504
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Mill_ZSTKAI_1977_1362.cif
_cod_data_source_block           Cd3Ge3O12Sc2
_cod_database_code               1530426
Structural investigations of Y P O4, Sc P O4, and Lu P O4
Milligan, W.O.; Beall, G.W.; Mullica, D.F.; Boatner, L.A.; Inorganica Chimica Acta 60 (1982) 39–43; doi:

data_1530427
_publ_section_title
;
 Structural investigations of Y P O4, Sc P O4, and Lu P O4
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              39
_journal_page_last               43
_journal_volume                  60
_journal_year                    1982
_chemical_formula_sum            'O4 P Y'
_chemical_name_systematic        'Y (P O4)'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8817
_cell_length_b                   6.8817
_cell_length_c                   6.0177
_cell_volume                     284.985
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Milligan_ICHAA3_1982_764.cif
_cod_data_source_block           O4P1Y1
_cod_original_formula_sum        'O4 P1 Y1'
_cod_database_code               1530427
Structural investigations of Y P O4, Sc P O4, and Lu P O4
Milligan, W.O.; Mullica, D.F.; Boatner, L.A.; Beall, G.W.; Inorganica Chimica Acta 60 (1982) 39–43; doi:

data_1530428
_publ_section_title
;
 Structural investigations of Y P O4, Sc P O4, and Lu P O4
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              39
_journal_page_last               43
_journal_volume                  60
_journal_year                    1982
_chemical_formula_sum            'O4 P Sc'
_chemical_name_systematic        'Sc P O4'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.574
_cell_length_b                   6.574
_cell_length_c                   5.791
_cell_volume                     250.272
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Milligan_ICHAA3_1982_765.cif
_cod_data_source_block           O4P1Sc1
_cod_original_cell_volume        250.2724
_cod_original_formula_sum        'O4 P1 Sc1'
_cod_database_code               1530428
Cadmium(II) hexacyanochromate(III) tetradecahydrate
Milligan, W.O.; Mullica, D.F.; Hills, F.W.; Journal of Inorganic and Nuclear Chemistry 43 (1981) 3119–3124; doi:

data_4031474
_publ_section_title
;
 Cadmium(II) hexacyanochromate(III) tetradecahydrate
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              3119
_journal_page_last               3124
_journal_volume                  43
_journal_year                    1981
_chemical_formula_sum
'C15.9996 H37.3324 Cd3.9999 Cr2.6666 N15.9996 O18.6662'
_chemical_name_systematic        '(Cd3 (Cr (C N)6)2 (H2 O)14)1.3333'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.961
_cell_length_b                   10.961
_cell_length_c                   10.961
_cell_volume                     1316.893
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Milligan_JINCAO_1981_805.cif
_cod_data_source_block
C15.9996H37.3324Cd3.9999Cr2.6666N15.9996O18.6662
_cod_database_code               4031474
Preparation and crystal structure of ((C F3)2 N C F N H C F3)+ (As F6)- * H F
Minkwitz, R.; Kerbachi, R.; Nass, R.; Bernstein, D.; Preut, H.; Journal of Fluorine Chemistry 37 (1987) 259–266; doi:

data_1530429
_publ_section_title
;
 Preparation and crystal structure of ((C F3)2 N C F N H C F3)+ (As F6)- *
 H F
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              259
_journal_page_last               266
_journal_volume                  37
_journal_year                    1987
_chemical_formula_sum            'C4 H2 As F17 N2'
_chemical_name_systematic        '(((C F3)2 N C F N H (C F3)) (As F6)) (H F)'
_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                 100.53
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.619
_cell_length_b                   7.773
_cell_length_c                   9.426
_cell_volume                     620.865
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Minkwitz_JFLCAR_1987_1556.cif
_cod_data_source_block           C4H2As1F17N2
_cod_original_cell_volume        620.8646
_cod_original_formula_sum        'C4 H2 As1 F17 N2'
_cod_database_code               1530429
The refinement of the structure of Ludwigite, (Mg1.85 Fe.15) (Fe.60 Al.40) B O3 O2 and distribution of mg, Fe2+ in its cation position
Mokeeva, V.I.; Geokhimiya 1968 (1968) 975–979; doi:

data_1530430
_publ_section_title
;
 The refinement of the structure of Ludwigite, (Mg1.85 Fe.15) (Fe.60
 Al.40) B O3 O2 and distribution of mg, Fe2+ in its cation position
;
_journal_name_full               Geokhimiya
_journal_page_first              975
_journal_page_last               979
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'Al0.4 B Fe0.75 Mg1.85 O5'
_chemical_name_systematic        '(Mg1.85 Fe.15) (Fe.60 Al.40) B O3 O2'
_space_group_IT_number           55
_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            4
_cell_length_a                   9.23
_cell_length_b                   12.23
_cell_length_c                   2.995
_cell_volume                     338.084
_citation_journal_id_ASTM        GEOKAQ
_cod_data_source_file            Mokeeva_GEOKAQ_1968_1765.cif
_cod_data_source_block           Al0.4B1Fe0.75Mg1.85O5
_cod_original_cell_volume        338.0842
_cod_original_formula_sum        'Al0.4 B1 Fe0.75 Mg1.85 O5'
_cod_database_code               1530430
The isomorphism in melilites - the refinement of the crystal structures of akermanite and the intermediate melilite
Mokeeva, V.I.; Makarov, E.S.; Geokhimiya 1979 (1979) 1541–1544; doi:

data_1530431
_publ_section_title
;
 The isomorphism in melilites - the refinement of the crystal structures
 of akermanite and the intermediate melilite
;
_journal_name_full               Geokhimiya
_journal_page_first              1541
_journal_page_last               1544
_journal_volume                  1979
_journal_year                    1979
_chemical_formula_sum
'Al1.25 Ca1.96 Fe0.12 Mg0.24 Na0.05 O7 Si1.39'
_chemical_name_systematic
;
(Ca1.96 Na.05) (Mg.24 Al.64 Fe.12) (Si1.39 Al.61) O7
;
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.738
_cell_length_b                   7.738
_cell_length_c                   5.045
_cell_volume                     302.078
_citation_journal_id_ASTM        GEOKAQ
_cod_data_source_file            Mokeeva_GEOKAQ_1979_2000.cif
_cod_data_source_block           Al1.25Ca1.96Fe0.12Mg0.24Na0.05O7Si1.39
_cod_original_cell_volume        302.0777
_cod_database_code               1530431