LMucko/crystallography-open-database huggingface dataset:
Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)
Brylev, K.A.; Sekar, P.; Fedorov, V.E.; Naumov, N.G.; Ibers, J.A.; Inorganica Chimica Acta 357 (2004) 728–732; doi:

data_1535606
_publ_section_title
;
 Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) :
 syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N
 H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) *
 4(H2 O)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              728
_journal_page_last               732
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C6 H38 Co2 N16 O4 Re6 Te8'
_chemical_name_systematic        '(Co (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.958
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.808
_cell_length_b                   22.027
_cell_length_c                   10.3708
_cell_volume                     4438.863
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Brylev_ICHAA3_2004_1040.cif
_cod_data_source_block           C6H38Co2N16O4Re6Te8
_cod_database_code               1535606
New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M= Nb, Ta, Sb, Bi)
Muehle, C.; Dinnebier, R.E.; Jansen, M.; van Wuellen, L.; Schwering, G.; Inorganic Chemistry 43 (2004) 874–881; doi:

data_4344258
_publ_section_title
;
 New insights into the structural and dynamical features of lithium
 hexaoxometallates Li7 M O6 (M= Nb, Ta, Sb, Bi)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              874
_journal_page_last               881
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Li7 O6 Sb'
_chemical_name_systematic        'Li7 (Sb O6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.748
_cell_angle_beta                 119.63
_cell_angle_gamma                62.779
_cell_formula_units_Z            1
_cell_length_a                   5.4307
_cell_length_b                   5.8916
_cell_length_c                   5.385
_cell_volume                     127.469
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Muehle_INOCAJ_2004_1176.cif
_cod_data_source_block           Li7O6Sb1
_cod_original_cell_volume        127.4685
_cod_original_formula_sum        'Li7 O6 Sb1'
_cod_database_code               4344258
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.; Chemistry - A European Journal 10 (2004) 4616–4626; doi:

data_1535607
_publ_section_title
;
 Structure-composition relations for the Hume-Rothery phase Ir(7+7delta)
 Zn(97-11delta) (0.31 < delta < 0.58)
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              4616
_journal_page_last               4626
_journal_volume                  10
_journal_year                    2004
_chemical_formula_sum            'Ir43.96 Zn358.94'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.224
_cell_length_b                   18.224
_cell_length_c                   18.224
_cell_volume                     6052.449
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Hornfeck_CEUJED_2004_1287.cif
_cod_data_source_block           Ir43.96Zn358.94
_cod_original_cell_volume        6052.45
_cod_database_code               1535607
Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)
Brylev, K.A.; Fedorov, V.E.; Sekar, P.; Naumov, N.G.; Ibers, J.A.; Inorganica Chimica Acta 357 (2004) 728–732; doi:

data_1535608
_publ_section_title
;
 Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) :
 syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N
 H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) *
 4(H2 O)
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              728
_journal_page_last               732
_journal_volume                  357
_journal_year                    2004
_chemical_formula_sum            'C6 H38 N16 Ni2 O4 Re6 Te8'
_chemical_name_systematic        '(Ni (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.692
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.7617
_cell_length_b                   22.0521
_cell_length_c                   10.3526
_cell_volume                     4434.075
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Brylev_ICHAA3_2004_1041.cif
_cod_data_source_block           C6H38N16Ni2O4Re6Te8
_cod_database_code               1535608
Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O
Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1687–1692; doi:

data_1535609
_publ_section_title
;
 Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H
 F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom
 Typ F-H...O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1687
_journal_page_last               1692
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'F H3 O4 P Rb'
_chemical_name_systematic        'Rb (H2 P O4) (H F)'
_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                   9.055
_cell_length_b                   4.635
_cell_length_c                   11.908
_cell_volume                     499.778
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Troyanov_ZAACAB_2001_23.cif
_cod_data_source_block           H3F1O4P1Rb1
_cod_original_cell_volume        499.7779
_cod_original_formula_sum        'H3 F1 O4 P1 Rb1'
_cod_database_code               1535609
New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)
Muehle, C.; Dinnebier, R.E.; van Wuellen, L.; Schwering, G.; Jansen, M.; Inorganic Chemistry 43 (2004) 874–881; doi:

data_4344259
_publ_section_title
;
 New insights into the structural and dynamical features of lithium
 hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              874
_journal_page_last               881
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Li7 Nb O6'
_chemical_name_systematic        'Li7 (Nb O6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                117.003
_cell_angle_beta                 119.602
_cell_angle_gamma                63.257
_cell_formula_units_Z            1
_cell_length_a                   5.3793
_cell_length_b                   5.9194
_cell_length_c                   5.3792
_cell_volume                     126.936
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Muehle_INOCAJ_2004_1177.cif
_cod_data_source_block           Li7Nb1O6
_cod_original_cell_volume        126.9365
_cod_original_formula_sum        'Li7 Nb1 O6'
_cod_database_code               4344259
The crystal structure of Hf3 Cu8 and Zr3 Cu8
Bsenko, L.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 2220–2224; doi:

data_2106896
_publ_section_title
;
 The crystal structure of Hf3 Cu8 and Zr3 Cu8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2220
_journal_page_last               2224
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cu8 Hf3'
_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                   7.8113
_cell_length_b                   8.1014
_cell_length_c                   9.947
_cell_volume                     629.471
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bsenko_ACBCAR_1976_1281.cif
_cod_data_source_block           Cu8Hf3
_cod_original_cell_volume        629.4706
_cod_database_code               2106896
Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O
Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1687–1692; doi:

data_1535610
_publ_section_title
;
 Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H
 F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom
 Typ F-H...O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1687
_journal_page_last               1692
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Cs F H3 O4 P'
_chemical_name_systematic        'Cs (H2 P O4) (H F)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.859
_cell_length_b                   9.515
_cell_length_c                   14.744
_cell_volume                     1102.533
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Troyanov_ZAACAB_2001_24.cif
_cod_data_source_block           H3Cs1F1O4P1
_cod_original_formula_sum        'H3 Cs1 F1 O4 P1'
_cod_database_code               1535610
Synthese, Kristallstruktur und Eigenschaften von Tetraaminophosphoniumchlorid (P(NH2)4)Cl
Horstmann, S.; Schnick, W.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 127–132; doi:

data_7222633
_publ_section_title
;
 Synthese, Kristallstruktur und Eigenschaften von
 Tetraaminophosphoniumchlorid (P(NH2)4)Cl
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              127
_journal_page_last               132
_journal_volume                  51
_journal_year                    1996
_chemical_formula_sum            'Cl H8 N4 P'
_chemical_name_systematic        '(P (N H2)4) Cl'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.708
_cell_length_b                   16.223
_cell_length_c                   7.563
_cell_volume                     577.646
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Horstmann_ZNBSEN_1996_1785.cif
_cod_data_source_block           H8Cl1N4P1
_cod_original_cell_volume        577.6459
_cod_original_formula_sum        'H8 Cl1 N4 P1'
_cod_database_code               7222633
New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)
Muehle, C.; Dinnebier, R.E.; van Wuellen, L.; Schwering, G.; Jansen, M.; Inorganic Chemistry 43 (2004) 874–881; doi:

data_4344260
_publ_section_title
;
 New insights into the structural and dynamical features of lithium
 hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              874
_journal_page_last               881
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Li7 O6 Ta'
_chemical_name_systematic        'Li7 (Ta O6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                117.0108
_cell_angle_beta                 119.6132
_cell_angle_gamma                63.2492
_cell_formula_units_Z            1
_cell_length_a                   5.38486
_cell_length_b                   5.92014
_cell_length_c                   5.38551
_cell_volume                     127.208
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Muehle_INOCAJ_2004_1178.cif
_cod_data_source_block           Li7O6Ta1
_cod_original_cell_volume        127.2084
_cod_original_formula_sum        'Li7 O6 Ta1'
_cod_database_code               4344260
Refinement of (Na,Li)2V2O6 structure at 293, 600 and 800K.
Bubnova, R.S.; Filatov, S.K.; Ponomarev, V.I.; Kristallografiya 37 (1992) 1139–1142; doi:

data_1535611
_publ_section_title
;
 Refinement of (Na,Li)2V2O6 structure at 293, 600 and 800K.
;
_journal_name_full               Kristallografiya
_journal_page_first              1139
_journal_page_last               1142
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'Li0.5 Na0.5 O3 V'
_chemical_name_systematic        '(Na0.5 Li0.5) (V O3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.95
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.177
_cell_length_b                   9.065
_cell_length_c                   5.838
_cell_volume                     509.392
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bubnova_KRISAJ_1992_1289.cif
_cod_data_source_block           Li0.5Na0.5O3V1
_cod_original_cell_volume        509.3919
_cod_original_formula_sum        'Li0.5 Na0.5 O3 V1'
_cod_database_code               1535611
Single crystal neutron diffraction study of the phase transition in (N H4) H5 (P O4)2
Troyanov, S.I.; Kosterina, E.V.; Loose, A.; Kemnitz, E.; Reehuis, M.; Zeitschrift fuer Kristallographie (149,1979-) 218 (2003) 470–474; doi:

data_8103995
_publ_section_title
;
 Single crystal neutron diffraction study of the phase transition in (N
 H4) H5 (P O4)2
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              470
_journal_page_last               474
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'H9 N O8 P2'
_chemical_name_systematic        '(N H4) (H2 P O4) (H3 P O4)'
_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                 102.51
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.04
_cell_length_b                   7.628
_cell_length_c                   9.558
_cell_volume                     714.622
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Troyanov_ZEKRDZ_2003_822.cif
_cod_data_source_block           H9N1O8P2
_cod_original_cell_volume        714.6215
_cod_original_formula_sum        'H9 N1 O8 P2'
_cod_database_code               8103995
Refinement of the crystal structure of Ce Os2 Si2 (Th Cr2 Si2 Type)
Horvath, C.E.; Rogl, P.; Materials Research Bulletin 18 (1983) 443–448; doi:

data_1535612
_publ_section_title
;
 Refinement of the crystal structure of Ce Os2 Si2 (Th Cr2 Si2 Type)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              443
_journal_page_last               448
_journal_volume                  18
_journal_year                    1983
_chemical_formula_sum            'Ce1.02 Os2.04 Si2'
_chemical_name_systematic        'Ce Os2 Si2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.1617
_cell_length_b                   4.1617
_cell_length_c                   9.8481
_cell_volume                     170.567
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Horvath_MRBUAC_1983_489.cif
_cod_data_source_block           Ce1.02Os2.04Si2
_cod_original_cell_volume        170.5666
_cod_database_code               1535612
Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate
Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 1462–1468; doi:

data_1535613
_publ_section_title
;
 Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und
 deren Monohydrate
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1462
_journal_page_last               1468
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'C4 K2 N4 Pt'
_chemical_name_systematic        'K2 (Pt (C N)4)'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7011
_cell_length_b                   9.0709
_cell_length_c                   7.0391
_cell_volume                     874.829
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Muehle_ZAACAB_2004_1513.cif
_cod_data_source_block           C4K2N4Pt1
_cod_original_cell_volume        874.8286
_cod_original_formula_sum        'C4 K2 N4 Pt1'
_cod_database_code               1535613
Refinement of (Na,Li)2V2O6 structure at 293, 600 and 800K.
Bubnova, R.S.; Filatov, S.K.; Ponomarev, V.I.; Kristallografiya 37 (1992) 1139–1142; doi:

data_1535614
_publ_section_title
;
 Refinement of (Na,Li)2V2O6 structure at 293, 600 and 800K.
;
_journal_name_full               Kristallografiya
_journal_page_first              1139
_journal_page_last               1142
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'Li0.46 Na0.54 O3 V'
_chemical_name_systematic        '(Na0.54 Li0.46) (V O3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.68
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.262
_cell_length_b                   9.184
_cell_length_c                   5.857
_cell_volume                     522.922
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bubnova_KRISAJ_1992_1290.cif
_cod_data_source_block           Li0.46Na0.54O3V1
_cod_original_cell_volume        522.9219
_cod_original_formula_sum        'Li0.46 Na0.54 O3 V1'
_cod_database_code               1535614
Single crystal neutron diffraction study of the phase transition in (N H4) H5 (P O4)2
Troyanov, S.I.; Kosterina, E.V.; Kemnitz, E.; Loose, A.; Reehuis, M.; Zeitschrift fuer Kristallographie (149,1979-) 218 (2003) 470–474; doi:

data_8103996
_publ_section_title
;
 Single crystal neutron diffraction study of the phase transition in (N
 H4) H5 (P O4)2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              470
_journal_page_last               474
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'H9 N O8 P2'
_chemical_name_systematic        '(N H4) (H2 P O4) (H3 P O4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.71
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.156
_cell_length_b                   7.554
_cell_length_c                   9.507
_cell_volume                     716.657
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Troyanov_ZEKRDZ_2003_823.cif
_cod_data_source_block           H9N1O8P2
_cod_original_cell_volume        716.6569
_cod_original_formula_sum        'H9 N1 O8 P2'
_cod_database_code               8103996
The yellow polymorphs of mercuric iodide Hg I2
Hostettler, M.; Birkedal, H.; Schwarzenbach, D.; Helvetica Chimica Acta 86 (2003) 1410–1422; doi:

data_1535615
_publ_section_title
;
 The yellow polymorphs of mercuric iodide Hg I2
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              1410
_journal_page_last               1422
_journal_volume                  86
_journal_year                    2003
_chemical_formula_sum            'Hg I2'
_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                   4.7336
_cell_length_b                   7.4083
_cell_length_c                   13.943
_cell_volume                     488.952
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Hostettler_HCACAV_2003_964.cif
_cod_data_source_block           Hg1I2
_cod_original_cell_volume        488.9521
_cod_original_formula_sum        'Hg1 I2'
_cod_database_code               1535615