LMucko/crystallography-open-database huggingface dataset:
Determination of the modulated structure of the inorganic misfit layer compound (Pb S)1.18 Ti S2
van Smaalen, S.; Meetsma, A.; Wiegers, G.A.; de Boer, J.L.; Acta Crystallographica B (39,1983-) 47 (1991) 314–325; doi:

data_2106942
_publ_section_title
;
 Determination of the modulated structure of the inorganic misfit layer
 compound (Pb S)1.18 Ti S2
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              314
_journal_page_last               325
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'S2 Ti'
_chemical_name_systematic        '(Pb S)1.18 Ti S2'
_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                 95.29
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.88
_cell_length_b                   3.409
_cell_length_c                   11.76
_cell_volume                     234.724
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            vanSmaalen_ASBSDK_1991_6.cif
_cod_data_source_block           S2Ti1
_cod_original_cell_volume        234.7242
_cod_original_formula_sum        'S2 Ti1'
_cod_database_code               2106942
Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism in the structures of the helenite-hardystonite series
Rozhdestvenskaya, I.V.; Bannova, I.I.; Timoshenko, T.I.; Barbanyagre, V.D.; Shamshurov, V.M.; Kristallografiya 40 (1995) 681–683; doi:

data_1537220
_publ_section_title
;
 Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism
 in the structures of the helenite-hardystonite series
;
_journal_name_full               Kristallografiya
_journal_page_first              681
_journal_page_last               683
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Al1.25 Ca1.94 O7 Si1.38 Zn0.43'
_chemical_name_systematic
;
(Ca0.97 Zn0.03)2 (Al0.63 Zn0.37) (Si0.69 Al0.31)2 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                   7.734
_cell_length_b                   7.734
_cell_length_c                   5.048
_cell_volume                     301.945
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rozhdestvenskaya_KRISAJ_1995_1491.cif
_cod_data_source_block           Al1.25Ca1.94O7Si1.38Zn0.43
_cod_original_cell_volume        301.9449
_cod_database_code               1537220
The structure of potassium-exchanged heulandite at 293, 373 and 593 K
Galli, E.; Gottardi, G.; Preisinger, A.; Mayer, H.; Passaglia, E.; Acta Crystallographica B (39,1983-) 39 (1983) 189–197; doi:

data_2106943
_publ_section_title
;
 The structure of potassium-exchanged heulandite at 293, 373 and 593 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              189
_journal_page_last               197
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Al9 H36 K8.48 O90 Si27'
_chemical_name_systematic        'K8.48 (Al9 Si27) O72 (H2 O)18'
_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                 115.93
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.767
_cell_length_b                   17.958
_cell_length_c                   7.431
_cell_volume                     2132.249
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Galli_ASBSDK_1983_161.cif
_cod_data_source_block           H36Al9K8.48O90Si27
_cod_original_formula_sum        'H36 Al9 K8.48 O90 Si27'
_cod_database_code               2106943
Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials
Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P.; Journal of Solid State Chemistry 178 (2005) 2247–2255; doi:

data_1537221
_publ_section_title
;
 Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6:
 Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction
 properties of related materials
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2247
_journal_page_last               2255
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Bi O6 P0.16 Pb2 V0.84'
_chemical_name_systematic        'Pb2 Bi (V0.84 P0.16) O6'
_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                   5.922
_cell_length_b                   18.396
_cell_length_c                   11.864
_cell_volume                     1292.477
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Labidi_JSSCBI_2005_1909.cif
_cod_data_source_block           Bi1O6P0.16Pb2V0.84
_cod_original_formula_sum        'Bi1 O6 P0.16 Pb2 V0.84'
_cod_database_code               1537221
Determination of the modulated structure of the inorganic misfit layer compound (Pb S)1.18 Ti S2
van Smaalen, S.; Meetsma, A.; de Boer, J.L.; Wiegers, G.A.; Acta Crystallographica B (39,1983-) 47 (1991) 314–325; doi:

data_2106944
_publ_section_title
;
 Determination of the modulated structure of the inorganic misfit layer
 compound (Pb S)1.18 Ti S2
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              314
_journal_page_last               325
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Pb S'
_chemical_name_systematic        '((Pb S)1.18 Ti S2).8475'
_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                 95.27
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.881
_cell_length_b                   5.8
_cell_length_c                   11.759
_cell_volume                     399.402
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            vanSmaalen_ASBSDK_1991_9.cif
_cod_data_source_block           Pb1S1
_cod_original_cell_volume        399.4017
_cod_original_formula_sum        'Pb1 S1'
_cod_database_code               2106944
Peculiarities of the crystal structure of minerals from the tinaksite group.
Rozhdestvenskaya, I.V.; Nikishova, L.V.; Lazebnik, K.A.; Mineralogiceskij Zhurnal 13 (1991) 3–12; doi:

data_1537222
_publ_section_title
;
 Peculiarities of the crystal structure of minerals from the tinaksite
 group.
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              3
_journal_page_last               12
_journal_volume                  13
_journal_year                    1991
_chemical_formula_sum
'Ca1.85 Fe0.11 H K2 Mg0.02 Mn0.07 Na0.98 O20.02 Si7 Ti0.95'
_chemical_name_systematic
;
K2 Ti0.95 Ca1.85 Na0.98 Fe0.11 Mn0.07 Mg0.02 (Si7 O18) (O H) O1.02
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.79
_cell_angle_beta                 99.22
_cell_angle_gamma                92.83
_cell_formula_units_Z            2
_cell_length_a                   10.361
_cell_length_b                   12.153
_cell_length_c                   7.044
_cell_volume                     874.222
_citation_journal_id_ASTM        MINZDR
_cod_data_source_file            Rozhdestvenskaya_MINZDR_1991_1243.cif
_cod_data_source_block
H1Ca1.85Fe0.11K2Mg0.02Mn0.07Na0.98O20.02Si7Ti0.95
_cod_original_cell_volume        874.2222
_cod_original_formula_sum
;
H1 Ca1.85 Fe0.11 K2 Mg0.02 Mn0.07 Na0.98 O20.02 Si7 Ti0.95
;
_cod_database_code               1537222
The structure of potassium-exchanged heulandite at 293, 373 and 593 K
Galli, E.; Gottardi, G.; Passaglia, E.; Mayer, H.; Preisinger, A.; Acta Crystallographica B (39,1983-) 39 (1983) 189–197; doi:

data_2106945
_publ_section_title
;
 The structure of potassium-exchanged heulandite at 293, 373 and 593 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              189
_journal_page_last               197
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Al9 H19.4 K6.92 O81.7 Si27'
_chemical_name_systematic        'K6.92 (Al9 Si27 O72) (H2 O)9.7'
_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                 116.47
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.727
_cell_length_b                   17.733
_cell_length_c                   7.434
_cell_volume                     2091.917
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Galli_ASBSDK_1983_162.cif
_cod_data_source_block           H19.4Al9K6.92O81.7Si27
_cod_original_formula_sum        'H19.4 Al9 K6.92 O81.7 Si27'
_cod_database_code               2106945
Crystal-structure calculations with distorted ions
Lacks, D.J.; Gordon, R.G.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 2889–2908; doi:

data_1537223
_publ_section_title
;
 Crystal-structure calculations with distorted ions
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              2889
_journal_page_last               2908
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Be F2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.688
_cell_length_b                   4.688
_cell_length_c                   5.185
_cell_volume                     98.686
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Lacks_PRBMDO_1993_1888.cif
_cod_data_source_block           Be1F2
_cod_original_cell_volume        98.68579
_cod_original_formula_sum        'Be1 F2'
_cod_database_code               1537223
The crystal and molecular structure of trichlorogermyl-cobalt tetracarbonyl, Cl3 Ge Co (C O)4
van der Berg, G.C.; Oskam, A.; Olie, K.; Journal of Organometallic Chemistry 80 (1974) 363–368; doi:

data_4031637
_publ_section_title
;
 The crystal and molecular structure of trichlorogermyl-cobalt
 tetracarbonyl, Cl3 Ge Co (C O)4
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              363
_journal_page_last               368
_journal_volume                  80
_journal_year                    1974
_chemical_formula_sum            'C4 Cl3 Co Ge O4'
_chemical_name_systematic        'Cl3 Ge Co (C O)4'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.2
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.238
_cell_length_b                   6.623
_cell_length_c                   12.969
_cell_volume                     2164.193
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            vanderBerg_JORCAI_1974_1712.cif
_cod_data_source_block           C4Cl3Co1Ge1O4
_cod_original_formula_sum        'C4 Cl3 Co1 Ge1 O4'
_cod_database_code               4031637
The structure of potassium-exchanged heulandite at 293, 373 and 593 K
Galli, E.; Preisinger, A.; Gottardi, G.; Mayer, H.; Passaglia, E.; Acta Crystallographica B (39,1983-) 39 (1983) 189–197; doi:

data_2106946
_publ_section_title
;
 The structure of potassium-exchanged heulandite at 293, 373 and 593 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              189
_journal_page_last               197
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Al9 K6.22 O72 Si27'
_chemical_name_systematic        'K6.22 (Al9 Si27) O72'
_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                 116.62
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.536
_cell_length_b                   17.277
_cell_length_c                   7.409
_cell_volume                     2006.758
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Galli_ASBSDK_1983_163.cif
_cod_data_source_block           Al9K6.22O72Si27
_cod_database_code               2106946
Crystal-structure calculations with distorted ions
Lacks, D.J.; Gordon, R.G.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 2889–2908; doi:

data_1537224
_publ_section_title
;
 Crystal-structure calculations with distorted ions
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              2889
_journal_page_last               2908
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'O2 Ti'
_chemical_name_systematic        'Ti O2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.291
_cell_length_b                   5.291
_cell_length_c                   6.133
_cell_volume                     148.689
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Lacks_PRBMDO_1993_1889.cif
_cod_data_source_block           O2Ti1
_cod_original_cell_volume        148.6891
_cod_original_formula_sum        'O2 Ti1'
_cod_database_code               1537224
Single crystal x-ray study of Sn Ta S2 at 295 and 425 K
van der Lee, A.; Wiegers, G.A.; Materials Research Bulletin 25 (1990) 1011–1018; doi:

data_1537225
_publ_section_title
;
 Single crystal x-ray study of Sn Ta S2 at 295 and 425 K
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1011
_journal_page_last               1018
_journal_volume                  25
_journal_year                    1990
_chemical_formula_sum            'S2 Sn Ta'
_chemical_name_systematic        'Sn Ta S2'
_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            2
_cell_length_a                   3.3053
_cell_length_b                   3.3053
_cell_length_c                   17.43239
_cell_volume                     164.934
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            vanderLee_MRBUAC_1990_1799.cif
_cod_data_source_block           S2Sn1Ta1
_cod_original_cell_volume        164.9337
_cod_original_formula_sum        'S2 Sn1 Ta1'
_cod_database_code               1537225
The Structure of Potassium-Exchanged Heulandite at 293, 373 and 593 K
Galli, E.; Preisinger, A.; Gottardi, G.; Mayer, H.; Passaglia, E.; Acta Crystallographica B (39,1983-) 39 (1983) 189–197; doi:

data_2106947
_publ_section_title
;
 The Structure of Potassium-Exchanged Heulandite at 293, 373 and 593 K
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              189
_journal_page_last               197
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Al9 K7.06 O72 Si27'
_chemical_name_systematic        'K7.06 (Al9 Si27) O72'
_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                 116.33
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.48
_cell_length_b                   17.34
_cell_length_c                   7.407
_cell_volume                     2012.167
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Galli_ASBSDK_1983_164.cif
_cod_data_source_block           Al9K7.06O72Si27
_cod_database_code               2106947
The crystal structures and Raman spectra of 2S8 Sn I4 and 2Sn Se8-n Sn I4
Laitinen, R.; Steudel, R.; Steidel, J.; Acta Chemica Scandinavica, Series A: (28,1974-) 34 (1980) 687–693; doi:

data_1537226
_publ_section_title
;
 The crystal structures and Raman spectra of 2S8 Sn I4 and 2Sn Se8-n Sn I4
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              687
_journal_page_last               693
_journal_volume                  34
_journal_year                    1980
_chemical_formula_sum            'I4 S14 Se2 Sn'
_chemical_name_systematic        '(S7 Se)2 (Sn I4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.34
_cell_angle_beta                 110.47
_cell_angle_gamma                68.9
_cell_formula_units_Z            2
_cell_length_a                   11.413
_cell_length_b                   16.137
_cell_length_c                   8.098
_cell_volume                     1297.377
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1980_428.cif
_cod_data_source_block           I4S14Se2Sn1
_cod_original_formula_sum        'I4 S14 Se2 Sn1'
_cod_database_code               1537226
Cationic carbonyl complexes of rhodium(I) and rhodium(III): syntheses, vibrational spectra, NMR studies and molecular structures of tetrakis(carbonyl) rhodium(I) heptachlorodialuminate and - gallate, (Rh (C O)4) (Al2 Cl7) and (Rh (C O)4) (Ga2 Cl7)
von Ahsen, B.; Koeckerling, M.; Berkei, M.; Bach, C.; Haegele, G.; Willner, H.; Aubke, F.; Inorganic Chemistry 42 (2003) 3801–3814; doi:

data_4344288
_publ_section_title
;
 Cationic carbonyl complexes of rhodium(I) and rhodium(III): syntheses,
 vibrational spectra, NMR studies and molecular structures of
 tetrakis(carbonyl) rhodium(I) heptachlorodialuminate and - gallate, (Rh
 (C O)4) (Al2 Cl7) and (Rh (C O)4) (Ga2 Cl7)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3801
_journal_page_last               3814
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C4 Al2 Cl7 O4 Rh'
_chemical_name_systematic        '(Rh (C O)4) (Al2 Cl7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.52
_cell_angle_beta                 76.05
_cell_angle_gamma                66.15
_cell_formula_units_Z            2
_cell_length_a                   9.705
_cell_length_b                   9.8
_cell_length_c                   10.268
_cell_volume                     856.664
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            vonAhsen_INOCAJ_2003_949.cif
_cod_data_source_block           C4Al2Cl7O4Rh1
_cod_original_cell_volume        856.6641
_cod_original_formula_sum        'C4 Al2 Cl7 O4 Rh1'
_cod_database_code               4344288
Structure and bonding of Pd (Bi10)(4+) in the subbromide Bi14 Pd Br16
Ruck, M.; Dubenskiy, V.; Soehnel, T.; Angew. Chem. Int. ed. 42 (2003) 2978–2982; doi:

data_1537227
_publ_section_title
;
 Structure and bonding of Pd (Bi10)(4+) in the subbromide Bi14 Pd Br16
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              2978
_journal_page_last               2982
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Bi14 Br16 Pd'
_chemical_name_systematic        'Bi14 Pd Br16'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                118.15
_cell_angle_beta                 108.82
_cell_angle_gamma                91.94
_cell_formula_units_Z            1
_cell_length_a                   10.848
_cell_length_b                   11.03
_cell_length_c                   11.157
_cell_volume                     1086.100
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Ruck_ACIEF5_2003_903.cif
_cod_data_source_block           Bi14Br16Pd1
_cod_original_cell_volume        1086.1
_cod_original_formula_sum        'Bi14 Br16 Pd1'
_cod_database_code               1537227
Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications
Ganguly, J.; Ghose, S.; Contributions to Mineralogy and Petrology (23,1969-) 69 (1979) 375–385; doi:

data_1537228
_publ_section_title
;
 Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and
 petrologic implications
;
_journal_name_full
'Contributions to Mineralogy and Petrology (23,1969-)'
_journal_page_first              375
_journal_page_last               385
_journal_volume                  69
_journal_year                    1979
_chemical_formula_sum            'Al0.06 Fe0.096 Mg0.854 O3 Si0.97'
_chemical_name_systematic        '(Mg0.854 Fe0.096 Al0.03) (Al0.03 Si0.97 O3)'
_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            16
_cell_length_a                   18.2248
_cell_length_b                   8.7822
_cell_length_c                   5.1927
_cell_volume                     831.112
_citation_journal_id_ASTM        CMPEAP
_cod_data_source_file            Ganguly_CMPEAP_1979_328.cif
_cod_data_source_block           Al0.06Fe0.096Mg0.854O3Si0.97
_cod_original_cell_volume        831.1116
_cod_database_code               1537228
The metallic Zintl phase Ba3 Sn4 As6
Lam, R.; Mar, A.; Solid State Sciences 3 (2001) 503–512; doi:

data_1537229
_publ_section_title
;
 The metallic Zintl phase Ba3 Sn4 As6
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              503
_journal_page_last               512
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'As6 Ba3 Sn4'
_chemical_name_systematic        'Ba3 Sn4 As6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.053
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6374
_cell_length_b                   18.3536
_cell_length_c                   9.7209
_cell_volume                     1541.028
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Lam_SSSCFJ_2001_61.cif
_cod_data_source_block           As6Ba3Sn4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1537229