LMucko/crystallography-open-database huggingface dataset:
Structure de l'oxyde de plomb et de rhodium Ob3 Rh7 O15
Omaly, J.; Kohlmuller, R.; Batail, P.; Chevalier, R.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1040–1044; doi:

data_2106576
_publ_section_title
;
 Structure de l'oxyde de plomb et de rhodium Ob3 Rh7 O15
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1040
_journal_page_last               1044
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'O15 Pb3 Rh7'
_chemical_name_systematic        'Pb3 Rh7 O15'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.342
_cell_length_b                   10.342
_cell_length_c                   13.27
_cell_volume                     1229.166
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Omaly_ACBCAR_1980_72.cif
_cod_data_source_block           O15Pb3Rh7
_cod_database_code               2106576
The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)
Ondik, H.M.; Acta Crystallographica (1,1948-23,1967) 18 (1965) 226–232; doi:

data_2310645
_publ_section_title
;
 The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the
 monohydrate Na3 P3 O9 (H2 O)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              226
_journal_page_last               232
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'Na3 O9 P3'
_chemical_name_systematic        'Na3 P3 O9'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.928
_cell_length_b                   13.214
_cell_length_c                   7.708
_cell_volume                     807.495
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ondik_ACCRA9_1965_1861.cif
_cod_data_source_block           Na3O9P3
_cod_original_cell_volume        807.4946
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_database_code               2310645
The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)
Ondik, H.M.; Acta Crystallographica (1,1948-23,1967) 18 (1965) 226–232; doi:

data_2310646
_publ_section_title
;
 The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the
 monohydrate Na3 P3 O9 (H2 O)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              226
_journal_page_last               232
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'H2 Na3 O10 P3'
_chemical_name_systematic        'Na3 P3 O9 (H2 O)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5
_cell_length_b                   13.189
_cell_length_c                   7.558
_cell_volume                     847.301
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ondik_ACCRA9_1965_1863.cif
_cod_data_source_block           H2Na3O10P3
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-24
;
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_database_code               2310646
Synthesis, thermal analysis, and crystal structure of manganese(II) 9-molybdocobaltate(III)
Oreshkina, A.V.; Rabadanov, M.Kh.; Ivanova, A.G.; Kaziev, G.Z.; Kristallografiya 52 (2007) 1096–1099; doi:

data_1528773
_publ_section_title
;
 Synthesis, thermal analysis, and crystal structure of manganese(II)
 9-molybdocobaltate(III)
;
_journal_name_full               Kristallografiya
_journal_page_first              1096
_journal_page_last               1099
_journal_volume                  52
_journal_year                    2007
_chemical_formula_sum            'Co H27 Mn Mo9 O43'
_chemical_name_systematic        '(Mn (H2 O)4) (Co Mo9 O27 (O H)5) (H2 O)7'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.926
_cell_length_b                   15.926
_cell_length_c                   12.363
_cell_volume                     2715.613
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Oreshkina_KRISAJ_2007_1449.cif
_cod_data_source_block           H27Co1Mn1Mo9O43
_cod_original_formula_sum        'H27 Co1 Mn1 Mo9 O43'
_cod_database_code               1528773
A new intermediate intercalate in superconducting sodium-doped hafnium nitride chloride
Oro-Sole, J.; Martinez, B.; Frontera, C.; Beltran-Porter, D.; Palacin, M.R.; Fuertes, A.; Chemical Communications 2005 (2005) 3352–3354; doi:

data_7117506
_publ_section_title
;
 A new intermediate intercalate in superconducting sodium-doped hafnium
 nitride chloride
;
_journal_name_full               'Chemical Communications'
_journal_page_first              3352
_journal_page_last               3354
_journal_volume                  2005
_journal_year                    2005
_chemical_formula_sum            'Cl Hf N Na0.125'
_chemical_name_systematic        'Na0.125 Hf N Cl'
_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            12
_cell_length_a                   3.581311
_cell_length_b                   3.581311
_cell_length_c                   57.75209
_cell_volume                     641.479
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Oro-Sole_CHCOFS_2005_1056.cif
_cod_data_source_block           Cl1Hf1N1Na0.125
_cod_original_cell_volume        641.4789
_cod_original_formula_sum        'Cl1 Hf1 N1 Na0.125'
_cod_database_code               7117506
A new intermediate intercalate in superconducting sodium-doped hafnium nitride chloride
Oro-Sole, J.; Frontera, C.; Martinez, B.; Beltran-Porter, D.; Fuertes, A.; Palacin, M.R.; Chemical Communications 2005 (2005) 3352–3354; doi:

data_7117507
_publ_section_title
;
 A new intermediate intercalate in superconducting sodium-doped hafnium
 nitride chloride
;
_journal_name_full               'Chemical Communications'
_journal_page_first              3352
_journal_page_last               3354
_journal_volume                  2005
_journal_year                    2005
_chemical_formula_sum            'Cl Hf N Na0.25'
_chemical_name_systematic        'Na0.25 Hf N Cl'
_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            6
_cell_length_a                   3.587907
_cell_length_b                   3.587907
_cell_length_c                   29.67848
_cell_volume                     330.868
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Oro-Sole_CHCOFS_2005_1057.cif
_cod_data_source_block           Cl1Hf1N1Na0.25
_cod_original_formula_sum        'Cl1 Hf1 N1 Na0.25'
_cod_database_code               7117507
Synthesis, structure and properties of the (Bi0.5 Sr0.5) (Cu0.5 Ru0.5) O3 perovskite
Ortega-San Martin, L.; Rodgers, J.A.; Attfield, J.P.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 63 (2008) 641–646; doi:

data_7221498
_publ_section_title
;
 Synthesis, structure and properties of the (Bi0.5 Sr0.5) (Cu0.5 Ru0.5) O3
 perovskite
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              641
_journal_page_last               646
_journal_volume                  63
_journal_year                    2008
_chemical_formula_sum            'Bi0.5 Co0.5 O3 Ru0.5 Sr0.5'
_chemical_name_systematic        '(Bi0.5 Sr0.5) (Co0.5 Ru0.5) O3'
_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                   5.5702
_cell_length_b                   7.8793
_cell_length_c                   5.5599
_cell_volume                     244.020
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Ortega-SanMartin_ZNBSEN_2008_1513.cif
_cod_data_source_block           Bi0.5Co0.5O3Ru0.5Sr0.5
_cod_original_cell_volume        244.02
_cod_database_code               7221498
Crystal structures of alpha and beta selenide, = In2 Se3
Osamura, K.; Murakami, Y.; Tomiie, Y.; Journal of the Physical Society of Japan 21 (1966) 1848–1848; doi:

data_1528774
_publ_section_title
;
 Crystal structures of alpha and beta selenide, = In2 Se3
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1848
_journal_page_last               1848
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'In2 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            3
_cell_length_a                   4.05
_cell_length_b                   4.05
_cell_length_c                   29.41
_cell_volume                     417.769
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Osamura_JUPSAU_1966_415.cif
_cod_data_source_block           In2Se3
_cod_original_cell_volume        417.7686
_cod_database_code               1528774
Crystal Structures of alpha and beta- indium selenide, = In2 Se3
Osamura, K.; Murakami, Y.; Tomiie, Y.; Journal of the Physical Society of Japan 21 (1966) 1848–1848; doi:

data_1528775
_publ_section_title
;
 Crystal Structures of alpha and beta- indium selenide, = In2 Se3
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1848
_journal_page_last               1848
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'In2 Se3'
_space_group_IT_number           160
_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            3
_cell_length_a                   4.05
_cell_length_b                   4.05
_cell_length_c                   28.77
_cell_volume                     408.677
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Osamura_JUPSAU_1966_417.cif
_cod_data_source_block           In2Se3
_cod_original_cell_volume        408.6774
_cod_database_code               1528775
Die Kristallstrukturen von Mn5 O8 und Cd2 Mn3 O8
Oswald, H.R.; Wampetich, M.J.; Helvetica Chimica Acta 50 (1967) 2023–2034; doi:

data_1528776
_publ_section_title
;
 Die Kristallstrukturen von Mn5 O8 und Cd2 Mn3 O8
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              2023
_journal_page_last               2034
_journal_volume                  50
_journal_year                    1967
_chemical_formula_sum            'Cd2 Mn3 O8'
_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                 109.51
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.806
_cell_length_b                   5.808
_cell_length_c                   4.932
_cell_volume                     291.766
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Oswald_HCACAV_1967_389.cif
_cod_data_source_block           Cd2Mn3O8
_cod_original_cell_volume        291.7658
_cod_database_code               1528776
Kristallstruktur von Cadmium-Kupfer-Hydroxidnitrat, Cd Cu3 (O H)6 (N O3)2 H2 O
Oswald, H.R.; Helvetica Chimica Acta 52 (1969) 2369–2380; doi:

data_1528777
_publ_section_title
;
 Kristallstruktur von Cadmium-Kupfer-Hydroxidnitrat, Cd Cu3 (O H)6 (N O3)2
 H2 O
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              2369
_journal_page_last               2380
_journal_volume                  52
_journal_year                    1969
_chemical_formula_sum            'Cd Cu3 H8 N2 O13'
_chemical_name_systematic        'Cd Cu3 (O H)6 (N O3)2 H2 O'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.522
_cell_length_b                   6.522
_cell_length_c                   7.012
_cell_volume                     258.306
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Oswald_HCACAV_1969_390.cif
_cod_data_source_block           H8Cd1Cu3N2O13
_cod_original_cell_volume        258.3058
_cod_original_formula_sum        'H8 Cd1 Cu3 N2 O13'
_cod_database_code               1528777
Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide
Ott, H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 63 (1926) 222–230; doi:10.1524/zkri.1926.63.1.222

data_8103714
_publ_section_title
;
 Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2;
 Pr\"azisionsmessungen einiger Alkalihalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              222
_journal_page_last               230
_journal_paper_doi               10.1524/zkri.1926.63.1.222
_journal_volume                  63
_journal_year                    1926
_chemical_formula_sum            'Cl Rb'
_chemical_name_systematic        'Rb Cl'
_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            4
_cell_length_a                   6.548
_cell_length_b                   6.548
_cell_length_c                   6.548
_cell_volume                     280.754
_cod_data_source_file            Ott_ZEKGAX_1926_1779.cif
_cod_data_source_block           Cl1Rb1
_cod_depositor_comments
;
 Marked entry as being related to AMCSD entry 0016983.

 Antanas Vaitkus,
 2020-11-09

 Updated bibliographic information.

 Antanas Vaitkus,
 2020-11-09
;
_cod_original_formula_sum        'Cl1 Rb1'
_cod_database_code               8103714
Structure of beta - Ti O2
Ouhenia, S.; Belkhir, M.A.; Samah, M.; Private Communication 1 (2006) 1–1; doi:

data_1528778
_publ_section_title
;
 Structure of beta - Ti O2
;
_journal_name_full               'Private Communication'
_journal_page_first              1
_journal_page_last               1
_journal_volume                  1
_journal_year                    2006
_chemical_formula_sum            'O2 Ti'
_chemical_name_systematic        'Ti O2'
_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                 107.039
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.1904
_cell_length_b                   3.7485
_cell_length_c                   5.5296
_cell_volume                     241.588
_citation_journal_id_ASTM        PRICO6
_cod_data_source_file            Ouhenia_PRICO6_2006_787.cif
_cod_data_source_block           O2Ti1
_cod_original_cell_volume        241.5878
_cod_original_formula_sum        'O2 Ti1'
_cod_database_code               1528778
Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies
Packer, R.J.; Stuart, P.A.; Skinner, S.J.; Journal of Solid State Chemistry 181 (2008) 1445–1455; doi:

data_1528779
_publ_section_title
;
 Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid
 solutions series: in-situ high-temperature powder diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1445
_journal_page_last               1455
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Ce0.21 La0.79 Nb O3.872'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.222
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1947
_cell_length_b                   11.50069
_cell_length_c                   5.56301
_cell_volume                     331.447
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Packer_JSSCBI_2008_1534.cif
_cod_data_source_block           Ce0.21La0.79Nb1O3.872
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_original_formula_sum        'Ce0.21 La0.79 Nb1 O3.872'
_cod_database_code               1528779
Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies
Packer, R.J.; Stuart, P.A.; Skinner, S.J.; Journal of Solid State Chemistry 181 (2008) 1445–1455; doi:

data_1528780
_publ_section_title
;
 Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid
 solutions series: in-situ high-temperature powder diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1445
_journal_page_last               1455
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Ce0.21 La0.79 Nb O3.96'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.40046
_cell_length_b                   5.40046
_cell_length_c                   11.66892
_cell_volume                     340.324
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Packer_JSSCBI_2008_1535.cif
_cod_data_source_block           Ce0.21La0.79Nb1O3.96
_cod_original_cell_volume        340.3236
_cod_original_formula_sum        'Ce0.21 La0.79 Nb1 O3.96'
_cod_database_code               1528780
Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies
Packer, R.J.; Skinner, S.J.; Stuart, P.A.; Journal of Solid State Chemistry 181 (2008) 1445–1455; doi:

data_1528781
_publ_section_title
;
 Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid
 solutions series: in-situ high-temperature powder diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1445
_journal_page_last               1455
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Ce0.77 La0.23 Nb O3.82'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.396
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5403
_cell_length_b                   11.4354
_cell_length_c                   5.1744
_cell_volume                     326.863
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Packer_JSSCBI_2008_1536.cif
_cod_data_source_block           Ce0.77La0.23Nb1O3.82
_cod_original_cell_volume        326.8625
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_original_formula_sum        'Ce0.77 La0.23 Nb1 O3.82'
_cod_database_code               1528781
Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies
Packer, R.J.; Stuart, P.A.; Skinner, S.J.; Journal of Solid State Chemistry 181 (2008) 1445–1455; doi:

data_1528782
_publ_section_title
;
 Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid
 solutions series: in-situ high-temperature powder diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1445
_journal_page_last               1455
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Ce0.22 La0.78 Nb O3.92'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3831
_cell_length_b                   5.3831
_cell_length_c                   11.6114
_cell_volume                     336.472
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Packer_JSSCBI_2008_1537.cif
_cod_data_source_block           Ce0.22La0.78Nb1O3.92
_cod_original_cell_volume        336.4724
_cod_original_formula_sum        'Ce0.22 La0.78 Nb1 O3.92'
_cod_database_code               1528782
Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis
Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L.; Chemistry of Materials (1,1989-) 18 (2006) 100–106; doi:

data_4002417
_publ_section_title
;
 Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic
 pair distribution function (PDF) analysis
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              100
_journal_page_last               106
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'I9 Mo6 S0.063'
_chemical_name_systematic        'Mo6 S0.063 I9'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   16.41
_cell_length_b                   16.41
_cell_length_c                   11.9154
_cell_volume                     2778.794
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Paglia_CMATEX_2006_804.cif
_cod_data_source_block           I9Mo6S0.063
_cod_database_code               4002417