LMucko/crystallography-open-database huggingface dataset:
Structure of Mixed Magnesium and Manganese Ferrite - Indates
Pokrovskii, B.I.; Gapeev, A.K.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Babeshkin, A.M.; Kristallografiya 17 (1972) 793–798; doi:

data_1538482
_publ_section_title
;
 Structure of Mixed Magnesium and Manganese Ferrite - Indates
;
_journal_name_full               Kristallografiya
_journal_page_first              793
_journal_page_last               798
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'Fe1.4 In0.6 Mn O4'
_chemical_name_systematic        'Mn Fe1.4 In.6 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.671
_cell_length_b                   8.671
_cell_length_c                   8.671
_cell_volume                     651.940
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pokrovskii_KRISAJ_1972_413.cif
_cod_data_source_block           Fe1.4In0.6Mn1O4
_cod_original_cell_volume        651.9398
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Fe1.4 In0.6 Mn1 O4'
_cod_database_code               1538482
Structure of Mixed Magnesium and Manganese Ferrite - Indates
Pokrovskii, B.I.; Babeshkin, A.M.; Gapeev, A.K.; Komissarova, L.N.; Pokholov, K.V.; Igonina, I.V.; Kristallografiya 17 (1972) 793–798; doi:

data_1538483
_publ_section_title
;
 Structure of Mixed Magnesium and Manganese Ferrite - Indates
;
_journal_name_full               Kristallografiya
_journal_page_first              793
_journal_page_last               798
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'Fe1.2 In0.8 Mn O4'
_chemical_name_systematic        'Mn Fe1.2 In.8 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.714
_cell_length_b                   8.714
_cell_length_c                   8.714
_cell_volume                     661.687
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pokrovskii_KRISAJ_1972_414.cif
_cod_data_source_block           Fe1.2In0.8Mn1O4
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Fe1.2 In0.8 Mn1 O4'
_cod_database_code               1538483
Structure of Mixed Magnesium and Manganese Ferrite - Indates
Pokrovskii, B.I.; Gapeev, A.K.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Babeshkin, A.M.; Kristallografiya 17 (1972) 793–798; doi:

data_1538484
_publ_section_title
;
 Structure of Mixed Magnesium and Manganese Ferrite - Indates
;
_journal_name_full               Kristallografiya
_journal_page_first              793
_journal_page_last               798
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'Fe0.8 In1.2 Mn O4'
_chemical_name_systematic        'Mn Fe.8 In1.2 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.819
_cell_length_b                   8.819
_cell_length_c                   8.819
_cell_volume                     685.896
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pokrovskii_KRISAJ_1972_415.cif
_cod_data_source_block           Fe0.8In1.2Mn1O4
_cod_original_cell_volume        685.8957
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Fe0.8 In1.2 Mn1 O4'
_cod_database_code               1538484
Structure of Mixed Magnesium and Manganese Ferrite - Indates
Pokrovskii, B.I.; Gapeev, A.K.; Komissarova, L.N.; Pokholov, K.V.; Babeshkin, A.M.; Igonina, I.V.; Kristallografiya 17 (1972) 793–798; doi:

data_1538485
_publ_section_title
;
 Structure of Mixed Magnesium and Manganese Ferrite - Indates
;
_journal_name_full               Kristallografiya
_journal_page_first              793
_journal_page_last               798
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'Fe0.4 In1.6 Mn O4'
_chemical_name_systematic        'Mn Fe.4 In1.6 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.9
_cell_length_b                   8.9
_cell_length_c                   8.9
_cell_volume                     704.969
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pokrovskii_KRISAJ_1972_416.cif
_cod_data_source_block           Fe0.4In1.6Mn1O4
_cod_original_cell_volume        704.9689
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Fe0.4 In1.6 Mn1 O4'
_cod_database_code               1538485
Structure of Mixed Magnesium and Manganese Ferrite - Indates
Pokrovskii, B.I.; Gapeev, A.K.; Babeshkin, A.M.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Kristallografiya 17 (1972) 793–798; doi:

data_1538486
_publ_section_title
;
 Structure of Mixed Magnesium and Manganese Ferrite - Indates
;
_journal_name_full               Kristallografiya
_journal_page_first              793
_journal_page_last               798
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'In2 Mn O4'
_chemical_name_systematic        'Mn In2 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.007
_cell_length_b                   9.007
_cell_length_c                   9.007
_cell_volume                     730.702
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pokrovskii_KRISAJ_1972_417.cif
_cod_data_source_block           In2Mn1O4
_cod_original_cell_volume        730.7023
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'In2 Mn1 O4'
_cod_database_code               1538486
The Structure of beta-Ta Co3 and the Effect of the Substitution of Ta and Co by Related Elements
Ponsioen, J.C.M.A.; van Vucht, J.H.N.; Philips Research Reports 22 (1967) 161–169; doi:

data_1538487
_publ_section_title
;
 The Structure of beta-Ta Co3 and the Effect of the Substitution of Ta and
 Co by Related Elements
;
_journal_name_full               'Philips Research Reports'
_journal_page_first              161
_journal_page_last               169
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Co3 Ta'
_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            9
_cell_length_a                   5.1864
_cell_length_b                   5.1864
_cell_length_c                   18.87
_cell_volume                     439.577
_citation_journal_id_ASTM        PRREA9
_cod_data_source_file            Ponsioen_PRREA9_1967_126.cif
_cod_data_source_block           Co3Ta1
_cod_original_cell_volume        439.5766
_cod_original_formula_sum        'Co3 Ta1'
_cod_database_code               1538487
Etude radiocristallographique de deux varietes de l'hexafluoro-germanate de lithium Li2 Ge F6
Portier, J.; Grannec, J.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 327–330; doi:

data_1538488
_publ_section_title
;
 Etude radiocristallographique de deux varietes de l'hexafluoro-germanate
 de lithium Li2 Ge F6
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              327
_journal_page_last               330
_journal_volume                  269
_journal_year                    1969
_chemical_formula_sum            'F6 Ge Li2'
_chemical_name_systematic        'Li2 Ge F6'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.41
_cell_length_b                   8.41
_cell_length_c                   4.62
_cell_volume                     282.986
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Portier_CHDCAQ_1969_1614.cif
_cod_data_source_block           F6Ge1Li2
_cod_original_cell_volume        282.9857
_cod_original_formula_sum        'F6 Ge1 Li2'
_cod_database_code               1538488
Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite
Post, J.E.; Buseck, P.R.; von Dreele, R.B.; Acta Crystallographica B (24,1968-38,1982) 38 (1982) 1056–1065; doi:

data_2107130
_publ_section_title
;
 Symmetry and Cation Displacements in Hollandites: Structure Refinements
 of Hollandite, Cryptomelane and Priderite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1056
_journal_page_last               1065
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3'
_chemical_name_systematic
;
(Ba.68 Pb.30) (Mn.8125 Fe.1625 Al.025)8 O16 (H2 O).5
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.03
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.026
_cell_length_b                   2.8782
_cell_length_c                   9.729
_cell_volume                     280.703
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Post_ACBCAR_1982_1738.cif
_cod_data_source_block           H1Al0.2Ba0.68Fe1.3Mn6.5O16.5Pb0.3
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_original_cell_volume        280.7028
_cod_original_formula_sum        'H1 Al0.2 Ba0.68 Fe1.3 Mn6.5 O16.5 Pb0.3'
_cod_database_code               2107130
The N-S bond lengths in the isomers S6 (N H)2. Refinement of the crystal structure of S6 (N H)2 -II
Postma, H.J.; van Bolhuis, F.; Vos, A.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 915–917; doi:

data_2107131
_publ_section_title
;
 The N-S bond lengths in the isomers S6 (N H)2. Refinement of the crystal
 structure of S6 (N H)2 -II
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              915
_journal_page_last               917
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'H2 N2 S6'
_chemical_name_systematic        'S6 (N H)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.873
_cell_length_b                   12.858
_cell_length_c                   7.39
_cell_volume                     748.097
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Postma_ACBCAR_1973_693.cif
_cod_data_source_block           H2N2S6
_cod_original_cell_volume        748.0974
_cod_database_code               2107131
In2 Mo15 Se19. Nouvel exemple de structure a motifs Mo6 Se8 et Mo9 Ye11
Potel, M.; Chevrel, R.; Sergent, M.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1007–1010; doi:

data_2107132
_publ_section_title
;
 In2 Mo15 Se19. Nouvel exemple de structure a motifs Mo6 Se8 et Mo9 Ye11
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1007
_journal_page_last               1010
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'In2 Mo15 Se19'
_chemical_name_systematic        'In2 (Mo15 Se19)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                27.808
_cell_angle_beta                 27.808
_cell_angle_gamma                27.808
_cell_formula_units_Z            2
_cell_length_a                   20.159
_cell_length_b                   20.159
_cell_length_c                   20.159
_cell_volume                     1574.321
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Potel_ACBCAR_1981_1408.cif
_cod_data_source_block           In2Mo15Se19
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_database_code               2107132
The Structure of Cubic Yb Zr F7
Poulain, M.; Tofield, B.C.; Journal of Solid State Chemistry 39 (1981) 314–328; doi:

data_1538489
_publ_section_title
;
 The Structure of Cubic Yb Zr F7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              314
_journal_page_last               328
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'F3.92 Yb0.5 Zr0.5'
_chemical_name_systematic        'Yb.5 Zr.5 F3.92'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.072
_cell_length_b                   4.072
_cell_length_c                   4.072
_cell_volume                     67.519
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Poulain_JSSCBI_1981_30.cif
_cod_data_source_block           F3.92Yb0.5Zr0.5
_cod_original_cell_volume        67.51859
_cod_database_code               1538489
The structure of cubic Yb Zr F7
Poulain, M.; Tofield, B.C.; Journal of Solid State Chemistry 39 (1981) 314–328; doi:

data_1538490
_publ_section_title
;
 The structure of cubic Yb Zr F7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              314
_journal_page_last               328
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'F3.456 Yb0.498 Zr0.498'
_chemical_name_systematic        '(Yb0.498 Zr0.498) F3.456'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.067
_cell_length_b                   4.067
_cell_length_c                   4.067
_cell_volume                     67.270
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Poulain_JSSCBI_1981_31.cif
_cod_data_source_block           F3.456Yb0.498Zr0.498
_cod_original_cell_volume        67.27016
_cod_database_code               1538490
Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
Preiss, H.; Reich, P.; Kristall und Technik 6 (1971) 375–380; doi:

data_1538491
_publ_section_title
;
 Kristallchemische und spektroskopische Untersuchungen an den Verbindungen
 P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
;
_journal_name_full               'Kristall und Technik'
_journal_page_first              375
_journal_page_last               380
_journal_volume                  6
_journal_year                    1971
_chemical_formula_sum            'As Cl13 P Sb'
_chemical_name_systematic        '((P Cl4) (Sb Cl6)) (As Cl3)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.98
_cell_length_b                   16.15
_cell_length_c                   11.65
_cell_volume                     1877.712
_citation_journal_id_ASTM        KRTEAW
_cod_data_source_file            Preiss_KRTEAW_1971_630.cif
_cod_data_source_block           As1Cl13P1Sb1
_cod_original_formula_sum        'As1 Cl13 P1 Sb1'
_cod_database_code               1538491
Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
Preiss, H.; Reich, P.; Kristall und Technik 6 (1971) 375–380; doi:

data_1538492
_publ_section_title
;
 Kristallchemische und spektroskopische Untersuchungen an den Verbindungen
 P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
;
_journal_name_full               'Kristall und Technik'
_journal_page_first              375
_journal_page_last               380
_journal_volume                  6
_journal_year                    1971
_chemical_formula_sum            'As Cl13 Nb P'
_chemical_name_systematic        'P Cl4 Nb Cl6 As Cl3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.03
_cell_length_b                   16.32
_cell_length_c                   11.71
_cell_volume                     1916.805
_citation_journal_id_ASTM        KRTEAW
_cod_data_source_file            Preiss_KRTEAW_1971_632.cif
_cod_data_source_block           As1Cl13Nb1P1
_cod_original_formula_sum        'As1 Cl13 Nb1 P1'
_cod_database_code               1538492
Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
Preiss, H.; Reich, P.; Kristall und Technik 6 (1971) 375–380; doi:

data_1538493
_publ_section_title
;
 Kristallchemische und spektroskopische Untersuchungen an den Verbindungen
 P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3
;
_journal_name_full               'Kristall und Technik'
_journal_page_first              375
_journal_page_last               380
_journal_volume                  6
_journal_year                    1971
_chemical_formula_sum            'As Cl13 P Ta'
_chemical_name_systematic        'P Cl4 Ta Cl6 As Cl3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.09
_cell_length_b                   16.1
_cell_length_c                   11.67
_cell_volume                     1895.780
_citation_journal_id_ASTM        KRTEAW
_cod_data_source_file            Preiss_KRTEAW_1971_633.cif
_cod_data_source_block           As1Cl13P1Ta1
_cod_original_cell_volume        1895.78
_cod_original_formula_sum        'As1 Cl13 P1 Ta1'
_cod_database_code               1538493
Die Kritallstruktur von Ta Cl4 F
Preiss, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 346 (1966) 272–278; doi:

data_1538494
_publ_section_title
;
 Die Kritallstruktur von Ta Cl4 F
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              272
_journal_page_last               278
_journal_volume                  346
_journal_year                    1966
_chemical_formula_sum            'Cl4 F Ta'
_chemical_name_systematic        'Ta Cl4 F'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.71
_cell_length_b                   12.71
_cell_length_c                   7.84
_cell_volume                     1266.506
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1966_1858.cif
_cod_data_source_block           Cl4F1Ta1
_cod_original_formula_sum        'Cl4 F1 Ta1'
_cod_database_code               1538494
Die Kristallstruktur von Nb Cl4 F
Preiss, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 362 (1968) 13–18; doi:

data_1538495
_publ_section_title
;
 Die Kristallstruktur von Nb Cl4 F
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               18
_journal_volume                  362
_journal_year                    1968
_chemical_formula_sum            'Cl4 F Nb'
_chemical_name_systematic        'Nb Cl4 F'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                95
_cell_angle_beta                 92.7
_cell_angle_gamma                93.2
_cell_formula_units_Z            8
_cell_length_a                   12.01
_cell_length_b                   13.36
_cell_length_c                   8.13
_cell_volume                     1295.725
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1968_1116.cif
_cod_data_source_block           Cl4F1Nb1
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_original_formula_sum        'Cl4 F1 Nb1'
_cod_database_code               1538495
Strukturverfeinerung und Untersuchung der thermischen Schwingungen am festen Phosphor(V)-chlorid
Preiss, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 380 (1971) 51–56; doi:

data_1538496
_publ_section_title
;
 Strukturverfeinerung und Untersuchung der thermischen Schwingungen am
 festen Phosphor(V)-chlorid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               56
_journal_volume                  380
_journal_year                    1971
_chemical_formula_sum            'Cl5 P'
_chemical_name_systematic        'P Cl5'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.22
_cell_length_b                   9.22
_cell_length_c                   7.44
_cell_volume                     632.462
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1971_1050.cif
_cod_data_source_block           Cl5P1
_cod_original_cell_volume        632.4625
_cod_original_formula_sum        'Cl5 P1'
_cod_database_code               1538496