LMucko/crystallography-open-database huggingface dataset:
Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.; Chemistry of Materials 17 (2005) 284–290; doi:10.1021/cm048463h

data_4000541
_publ_section_title
;
 Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
;
_journal_coden_ASTM              CMATEX
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              284
_journal_page_last               290
_journal_paper_doi               10.1021/cm048463h
_journal_volume                  17
_journal_year                    2005
_chemical_formula_moiety         'O14 P4 Sn4'
_chemical_formula_structural     'Sn2 [P2 O7]'
_chemical_formula_sum            'O28 P8 Sn8'
_chemical_formula_weight         411.4
_chemical_melting_point          870
_chemical_name_common            'Tin(II) Pyrophosphate'
_chemical_name_systematic        'Tin(II) Pyrophosphate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.616(2)
_cell_angle_beta                 99.158(2)
_cell_angle_gamma                98.701(2)
_cell_formula_units_Z            4
_cell_length_a                   5.2570(6)
_cell_length_b                   11.4464(14)
_cell_length_c                   11.5610(14)
_cell_measurement_temperature    93
_cell_volume                     660.54(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    4.1352
_cod_database_code               4000541
Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.; Chemistry of Materials 17 (2005) 284–290; doi:10.1021/cm048463h

data_4000542
_publ_section_title
;
 Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
;
_journal_coden_ASTM              CMATEX
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              284
_journal_page_last               290
_journal_paper_doi               10.1021/cm048463h
_journal_volume                  17
_journal_year                    2005
_chemical_formula_moiety         'O14 P4 Sn4'
_chemical_formula_structural     'Sn2 [P2 O7]'
_chemical_formula_sum            'O28 P8 Sn8'
_chemical_formula_weight         411.4
_chemical_melting_point          870
_chemical_name_common            'Tin(II) Pyrophosphate'
_chemical_name_systematic        'Tin(II) Pyrophosphate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.911(8)
_cell_angle_beta                 99.303(8)
_cell_angle_gamma                98.899(8)
_cell_formula_units_Z            4
_cell_length_a                   5.2776(5)
_cell_length_b                   11.5413(12)
_cell_length_c                   11.6360(12)
_cell_measurement_temperature    293
_cell_volume                     668.20(12)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.0878
_cod_database_code               4000542
Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.; Chemistry of Materials 17 (2005) 284–290; doi:10.1021/cm048463h

data_4000543
_publ_section_title
;
 Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~
;
_journal_coden_ASTM              CMATEX
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              284
_journal_page_last               290
_journal_paper_doi               10.1021/cm048463h
_journal_volume                  17
_journal_year                    2005
_chemical_formula_moiety         'Sn2 P2 O7'
_chemical_formula_structural     'Sn2 [P2 O7]'
_chemical_formula_sum            'O7 P2 Sn2'
_chemical_formula_weight         411.32
_chemical_melting_point          870
_chemical_name_common            'Tin(II) pyrophosphate'
_chemical_name_systematic        'Tin(II) pyrophosphate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 106.0340(32)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.1765(4)
_cell_length_b                   9.2874(6)
_cell_length_c                   5.2968(4)
_cell_measurement_temperature    773
_cell_volume                     339.30(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4000543
; Chemistry of Materials  (2005) –; doi:10.1021/cm0483846

data_4000544
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0483846
_journal_year                    2005
_chemical_formula_sum            'Ca O4 Rh2'
_chemical_formula_weight         309.887
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   9.0354(3)
_cell_length_b                   3.0340(1)
_cell_length_c                   10.7062(3)
_cell_volume                     293.49(2)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               4000544
; Chemistry of Materials  (2005) –; doi:10.1021/cm049064p

data_4000545
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049064p
_journal_year                    2005
_chemical_formula_sum            'C5 H5 Fe0.5 N O3 P'
_chemical_formula_weight         186.00
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.8900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5407(2)
_cell_length_b                   6.4298(2)
_cell_length_c                   10.6172(3)
_cell_measurement_temperature    293(2)
_cell_volume                     657.93(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.878
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C5 H5 Fe0.50 N O3 P'
_cod_database_code               4000545
; Chemistry of Materials  (2005) –; doi:10.1021/cm048310u

data_4000546
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048310u
_journal_year                    2005
_chemical_formula_sum            'C12 H28 B2 F8 Li2 O6'
_chemical_formula_weight         455.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.9430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.0337(5)
_cell_length_b                   7.1902(3)
_cell_length_c                   13.5445(6)
_cell_measurement_temperature    120(2)
_cell_volume                     1074.40(8)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.409
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4000546
; Chemistry of Materials  (2005) –; doi:10.1021/cm049406r

data_4000547
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049406r
_journal_year                    2005
_chemical_formula_moiety         'Fe1.375 O5 P'
_chemical_formula_structural     Fe1.375(PO4)(OH)
_chemical_formula_sum            'Fe1.375 O5 P'
_chemical_formula_weight         187.77
_chemical_name_common            'Iron phosphate hydroxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.19183(12)
_cell_length_b                   5.19183(12)
_cell_length_c                   12.9927(4)
_cell_measurement_temperature    295
_cell_volume                     350.22(1)
_exptl_crystal_density_diffrn    3.561
_exptl_crystal_density_meas      3.513
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               4000547
Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng; Chemistry of Materials  (2005) –; doi:10.1021/cm048791h

data_4000548
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048791h
_journal_year                    2005
_chemical_formula_sum            'Mn0.639 O4 Pb1.186 Sb1.175'
_chemical_name_systematic        'Antimony Lead Manganese Oxide'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6126(1)
_cell_length_b                   8.6126(1)
_cell_length_c                   6.2444(1)
_cell_volume                     463.2
_cod_original_formula_sum        'Pb1.186 Sb1.175 Mn0.639 O4'
_cod_database_code               4000548
Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng; Chemistry of Materials  (2005) –; doi:10.1021/cm048791h

data_4000549
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048791h
_journal_year                    2005
_chemical_formula_sum            'Mn0.92 O4 Pb0.44 Sb1.64'
_chemical_name_systematic        'Antimony Lead Manganese Oxide'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.64111(8)
_cell_length_b                   8.64111(8)
_cell_length_c                   6.07624(8)
_cell_volume                     453.7
_cod_original_formula_sum        'Pb0.44 Sb1.64 Mn0.92 O4'
_cod_database_code               4000549
Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng; Chemistry of Materials  (2005) –; doi:10.1021/cm048791h

data_4000550
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048791h
_journal_year                    2005
_chemical_formula_sum            'Mn0.77 O4 Pb0.75 Sb1.48'
_chemical_name_systematic        'Antimony Lead Manganese Oxide'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.62028(9)
_cell_length_b                   8.62028(9)
_cell_length_c                   6.1609(1)
_cell_volume                     457.8
_cod_original_formula_sum        'Pb0.75 Sb1.48 Mn0.77 O4'
_cod_database_code               4000550
Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng; Chemistry of Materials  (2005) –; doi:10.1021/cm048791h

data_4000551
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048791h
_journal_year                    2005
_chemical_formula_sum            'Mn0.67 O4 Pb1.07 Sb1.26'
_chemical_name_systematic        'Antimony Lead Manganese Oxide'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.60767(8)
_cell_length_b                   8.60767(8)
_cell_length_c                   6.23142(7)
_cell_volume                     461.7
_cod_original_formula_sum        'Pb1.07 Sb1.26 Mn0.67 O4'
_cod_database_code               4000551
; Chemistry of Materials  (2005) –; doi:10.1021/cm049406r

data_4000552
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049406r
_journal_year                    2005
_chemical_formula_moiety         'Fe1.176 O5 P'
_chemical_formula_structural     Fe1.176(PO4)(OH)
_chemical_formula_sum            'Fe1.176 O5 P'
_chemical_formula_weight         176.55
_chemical_name_common            'Iron phosphate hydroxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.18029(8)
_cell_length_b                   5.18029(8)
_cell_length_c                   13.0341(3)
_cell_measurement_temperature    295
_cell_volume                     349.78(1)
_exptl_crystal_density_diffrn    3.353
_exptl_crystal_density_meas      3.396
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               4000552
; Chemistry of Materials  (2005) –; doi:10.1021/cm048140l

data_4000553
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048140l
_journal_year                    2005
_chemical_formula_sum            'Ba4 F2 La6 Na0 O24 Si6'
_chemical_formula_weight         1973.36
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   9.8000(10)
_cell_length_b                   9.8000(10)
_cell_length_c                   7.3193(8)
_cell_measurement_temperature    293(2)
_cell_volume                     608.77(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.383
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000553
Supramolecular Interactions Induced Fluorescence in Crystal: Anomalous Emission of 2,5-Diphenyl-1,4-distyrylbenzene with all cis Double Bonds
Zengqi Xie; Bing Yang; Gang Cheng; Dong Lin; Linlin Liu; Feng He; Yuguang Ma; Shiyong Liu; Chemistry of Materials  (2005) –; doi:

data_4000554
_publ_section_title
;
Supramolecular Interactions Induced Fluorescence in Crystal: Anomalous
Emission of 2,5-Diphenyl-1,4-distyrylbenzene with all cis Double Bonds
;
_journal_name_full               'Chemistry of Materials'
_journal_year                    2005
_chemical_formula_moiety         'C34 H26'
_chemical_formula_sum            'C34 H26'
_chemical_formula_weight         434.55
_chemical_melting_point          192.5
_chemical_name_common            Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.078(4)
_cell_length_b                   13.220(10)
_cell_length_c                   9.756(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1210.6(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.192
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000554
Novel p-and n-Type Organic Semiconductors with an Anthracene Unit
Shinji Ando; Jun-ichi Nishida; Eiichi Fujiwara; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita; Chemistry of Materials  (2005) –; doi:

data_4000555
_publ_section_title
;
Novel p-and n-Type Organic Semiconductors with an Anthracene Unit
;
_journal_name_full               'Chemistry of Materials'
_journal_year                    2005
_chemical_formula_moiety         'C28 H16 F6 '
_chemical_formula_sum            'C28 H16 F6'
_chemical_formula_weight         466.42
_chemical_melting_point          289
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.26(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.524(4)
_cell_length_b                   9.283(4)
_cell_length_c                   11.969(5)
_cell_measurement_temperature    296.2
_cell_volume                     1057.3(8)
_exptl_crystal_density_diffrn    1.465
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C28 H16 F6 '
_cod_database_code               4000555
; Chemistry of Materials  (2005) –; doi:10.1021/cm047959w

data_4000557
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm047959w
_journal_year                    2005
_chemical_formula_sum            'Co2 Ho2.5 Si7'
_chemical_formula_weight         726.8
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 98.867(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3765(15)
_cell_length_b                   7.8142(9)
_cell_length_c                   7.7330(9)
_cell_volume                     738.94(15)
_exptl_crystal_density_diffrn    6.5309(13)
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000557
; Chemistry of Materials  (2005) –; doi:10.1021/cm047959w

data_4000558
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm047959w
_journal_year                    2005
_chemical_formula_sum            'Co4 Si14 Tm5'
_chemical_formula_weight         1473.63
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.815(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3140(16)
_cell_length_b                   7.7780(10)
_cell_length_c                   7.7053(10)
_cell_measurement_temperature    293(2)
_cell_volume                     729.28(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.711
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000558
; Chemistry of Materials  (2005) –; doi:10.1021/cm047959w

data_4000559
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm047959w
_journal_year                    2005
_chemical_formula_sum            'Co2 Si7 Yb2.5'
_chemical_formula_weight         747.1
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 98.946(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2552(6)
_cell_length_b                   7.7537(7)
_cell_length_c                   7.6730(11)
_cell_volume                     720.24(13)
_exptl_crystal_density_diffrn    6.8873(12)
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000559