LMucko/crystallography-open-database huggingface dataset:
Crystal structure of N-[4-(2-chloro-1,4-dioxo-1,4-dihydro-naphthalen- 3-ylamino)-phenyl]-benzamide, C~23~H~15~ClN~2~O~3~
Rubin-Preminger, J. M.; Win, T.; Granot, Y.; Bittner, S.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 323–324; doi:

data_8100144
_publ_section_title
;
Crystal structure of N-[4-(2-chloro-1,4-dioxo-1,4-dihydro-naphthalen-
3-ylamino)-phenyl]-benzamide, C~23~H~15~ClN~2~O~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               324
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C23 H15 Cl N2 O3'
_chemical_formula_sum            'C23 H15 Cl N2 O3'
_chemical_formula_weight         402.82
_chemical_melting_point          503.15
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.021(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.4174(17)
_cell_length_b                   4.4910(6)
_cell_length_c                   16.514(2)
_cell_measurement_temperature    295(2)
_cell_volume                     920.8(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.453
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '230\%C' was changed to '503.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100144
Crystal structure of 3'-[(7,8-dimethoxy-2,3-dihydro-1H-cyclopenta [a]naphthalen-4-yl)amino]-6',7'-dimethoxy-4'H-spiro[cyclopentane-1, 1'-isoquinolin]-4?-one, C~30~H~32~N~2~O~5~
Herrera, Antonio; Martinez-Alvarez, Roberto; Ramiro, Pedro; Torres, M. Rosario; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 305–306; doi:

data_8100145
_publ_section_title
;
Crystal structure of 3'-[(7,8-dimethoxy-2,3-dihydro-1H-cyclopenta
[a]naphthalen-4-yl)amino]-6',7'-dimethoxy-4'H-spiro[cyclopentane-1,
1'-isoquinolin]-4?-one, C~30~H~32~N~2~O~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              305
_journal_page_last               306
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C30 H32 N2 O5'
_chemical_formula_weight         500.58
_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                 92.008(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.902(2)
_cell_length_b                   7.2771(11)
_cell_length_c                   23.786(4)
_cell_measurement_temperature    296(2)
_cell_volume                     2577.8(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.290
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100145
Crystal structure of N,N,N-tris[2-(salicylideneaminato)-ethyl]amine- manganese(III), Mn[N(C~9~H~9~NO)~3~]
Steinhauser, S.; Bachmann, F.; Hazenkamp, M.; Heinz, U.; Dannacher, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 325–326; doi:

data_8100146
_publ_section_title
;
Crystal structure of N,N,N-tris[2-(salicylideneaminato)-ethyl]amine-
manganese(III), Mn[N(C~9~H~9~NO)~3~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              325
_journal_page_last               326
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C27 H27 Mn N4 O3'
_chemical_formula_weight         510.47
_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                 96.55(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.906(2)
_cell_length_b                   25.609(5)
_cell_length_c                   11.736(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2360.6(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.436
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100146
Crystal structure of diaqua-tris(4-methylbenzoato)-neodymium(III) 4,4'-bipyridine sesquisolvate, Nd(H~2~O)~2~(C~8~H~7~O~2~)~3~ · 1.5C~10~H~8~N~2~
Li, Xia; Zou, Ying-Quan; Song, Hai-Bin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 278–280; doi:

data_8100147
_publ_section_title
;
Crystal structure of diaqua-tris(4-methylbenzoato)-neodymium(III) 
4,4'-bipyridine sesquisolvate, 
Nd(H~2~O)~2~(C~8~H~7~O~2~)~3~ &#x00B7; 1.5C~10~H~8~N~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              278
_journal_page_last               280
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C39 H37 N3 Nd O8'
_chemical_formula_weight         819.96
_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                 119.444(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.785(3)
_cell_length_b                   26.184(9)
_cell_length_c                   16.581(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3700(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.472
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100147
Crystal structure of di-μ-chloro-bis[chloro(η^6^-hexamethylbenzene) ruthenium(II)] - 4-nitrophenol - chloroform (1:2:2), [RuCl~2~(C~12~H~18~)] ~2~ · 2C~6~H~5~NO~3~ · 2CHCl~3~
Dialer, Harald; Knizek, Jörg; Nöth, Heinrich; Beck, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 311–313; doi:

data_8100148
_publ_section_title
;
Crystal structure of di-\m-chloro-bis[chloro(\h^6^-hexamethylbenzene)
ruthenium(II)] - 4-nitrophenol - chloroform (1:2:2), [RuCl~2~(C~12~H~18~)]
~2~ &#x00B7; 2C~6~H~5~NO~3~ &#x00B7; 2CHCl~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              311
_journal_page_last               313
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C19 H24 Cl5 N O3 Ru'
_chemical_formula_weight         592.71
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.07740(10)
_cell_length_b                   10.24270(10)
_cell_length_c                   23.7091(3)
_cell_measurement_temperature    193(2)
_cell_volume                     4632.85(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.700
_refine_ls_R_factor_obs          0.0452
_refine_ls_wR_factor_obs         0.1095
_cod_database_code               8100148
Crystal structure of 4-(diisopropylamino)benzonitrile, C~13~H~18~N~2~
Frey, Wolfgang; Root, Christopher; Gilch, Peter; Braun, Markus; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 291–292; doi:

data_8100149
_publ_section_title
;
Crystal structure of 4-(diisopropylamino)benzonitrile, C~13~H~18~N~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              291
_journal_page_last               292
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C13 H18 N2'
_chemical_formula_weight         202.29
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.733(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   16.657(3)
_cell_length_b                   14.714(3)
_cell_length_c                   20.725(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5073.6(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.059
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100149
Crystal structure of bis(ethylenediammonium) discandium(III) hexafluoride bis(hydrogenphosphate), (C~2~N~2~H~10~)~2~Sc~2~F~6~(HPO~4~)~2~
Ewald, Bastian; Natarajan, Srinivasan; Prots, Yurii; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 335–336; doi:

data_8100150
_publ_section_title
;
Crystal structure of bis(ethylenediammonium) discandium(III) hexafluoride 
bis(hydrogenphosphate), (C~2~N~2~H~10~)~2~Sc~2~F~6~(HPO~4~)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              335
_journal_page_last               336
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         (C~2~N~2~H~10~)~2~Sc~2~F~6~(HPO~4~)~2~
_chemical_formula_sum            'C4 H22 F6 N4 O8 P2 Sc2'
_chemical_formula_weight         260.06
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 111.31(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.2996(16)
_cell_length_b                   9.4001(6)
_cell_length_c                   9.6941(10)
_cell_volume                     1723.4(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.005
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100150
Crystal structure of potassium bismuth dichloride sulfate, KBiCl~2~SO~4~
Khelifi, Mabrouk; Loukil, Mohamed; Kabadou, Ahlem; Zouari, Ridha; Ben Salah, Abd Elhamid; Fuess, Hartmut; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 203–204; doi:10.1524/ncrs.2004.219.14.223

data_8100151
_publ_section_title
;
 Crystal structure of potassium bismuth dichloride sulfate, KBiCl~2~SO~4~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              203
_journal_page_last               204
_journal_paper_doi               10.1524/ncrs.2004.219.14.223
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'Bi Cl2 K O4 S'
_chemical_formula_weight         415.04
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.3814(6)
_cell_length_b                   7.3111(6)
_cell_length_c                   15.3672(14)
_cell_measurement_temperature    293(2)
_cell_volume                     716.96(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.845
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               8100151
Refinement of the crystal structures of praseodymium- and samarium- oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln = Pr, Sm)
Ewald, Bastian; Prots, Yurii; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 213–215; doi:

data_8100152
_publ_section_title
;
Refinement of the crystal structures of praseodymium- and samarium-
oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln 
= Pr, Sm)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'B O17 P2 Pr7'
_chemical_formula_weight         1331.1
_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
_cell_angle_beta                 97.240(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8939(4)
_cell_length_b                   17.6620(10)
_cell_length_c                   12.442(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1502.9(9)
_diffrn_ambient_temperature      295.1500
_exptl_crystal_density_diffrn    5.883
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'B1 O17 P2 Pr7'
_cod_database_code               8100152
Refinement of the crystal structures of praseodymium- and samarium- oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln = Pr, Sm)
Ewald, Bastian; Prots, Yurii; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 213–215; doi:

data_8100153
_publ_section_title
;
Refinement of the crystal structures of praseodymium- and samarium-
oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln 
= Pr, Sm)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'B O17 P2 Sm7'
_chemical_formula_weight         1397.2
_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                 96.96(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.7781(7)
_cell_length_b                   17.3960(1)
_cell_length_c                   12.2180(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1430.0(2)
_diffrn_ambient_temperature      295.1500
_exptl_crystal_density_diffrn    6.491
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'B1 O17 P2 Sm7'
_cod_database_code               8100153
Crystal structure of sodium tetratin(II) triphosphate, NaSn~4~(PO~4~)~3~
Mao, Shao-Yu; Deng, Jin-Feng; Li, Man-Rong; Mi, Jin-Xiao; Chen, Hao-Hong; Zhao, Jing-Tai; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 205–206; doi:

data_8100154
_publ_section_title
;
Crystal structure of sodium tetratin(II) triphosphate, NaSn~4~(PO~4~)~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              205
_journal_page_last               206
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         NaSn~4~(PO~4~)~3~
_chemical_formula_sum            'Na O12 P3 Sn4'
_chemical_formula_weight         782.66
_chemical_name_common            'Sodium tetratin(II) triphosphate'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   9.5935(14)
_cell_length_b                   9.5935(14)
_cell_length_c                   24.186(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1927.7(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.045
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               8100154
Crystal structure of ammonium scandium diarsenate(V), (NH~4~)ScAs~2~O~7~, the second KAlP~2~O~7~-type diarsenate
Kolitsch, Uwe; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 207–208; doi:

data_8100155
_publ_section_title
;
Crystal structure of ammonium scandium diarsenate(V), (NH~4~)ScAs~2~O~7~, 
the second KAlP~2~O~7~-type diarsenate
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              207
_journal_page_last               208
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     '(N1 H4) Sc1 (As2 O7)'
_chemical_formula_sum            'As2 H4 N O7 Sc'
_chemical_formula_weight         324.84
_chemical_name_common            'ammonium scandium arsenate'
_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                 106.81(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.842(2)
_cell_length_b                   10.656(2)
_cell_length_c                   8.765(2)
_cell_measurement_temperature    293(2)
_cell_volume                     701.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.077
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100155
Refinement of the crystal structures of titanium diantimonide, TiSb~2~, and vanadium diantimonide, V~0.96~Sb~2~
Armbrüster, Marc; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 209–210; doi:

data_8100156
_publ_section_title
;
Refinement of the crystal structures of titanium diantimonide, TiSb~2~, 
and vanadium diantimonide, V~0.96~Sb~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              209
_journal_page_last               210
_journal_volume                  219
_journal_year                    2004
_chemical_formula_analytical     TiSb2.0(4)
_chemical_formula_structural     TiSb2
_chemical_formula_sum            'Sb2 Ti'
_chemical_formula_weight         291.40
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6528(2)
_cell_length_b                   6.6528(2)
_cell_length_c                   5.8071(3)
_cell_measurement_temperature    293(2)
_cell_volume                     257.02(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.531
_exptl_crystal_density_meas      7.52(1)
_cod_database_code               8100156
Refinement of the crystal structures of titanium diantimonide, TiSb~2~, and vanadium diantimonide, V~0.96~Sb~2~
Armbrüster, Marc; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 209–210; doi:

data_8100157
_publ_section_title
;
Refinement of the crystal structures of titanium diantimonide, TiSb~2~, 
and vanadium diantimonide, V~0.96~Sb~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              209
_journal_page_last               210
_journal_volume                  219
_journal_year                    2004
_chemical_formula_analytical     V0.93(2)Sb2
_chemical_formula_structural     VSb2
_chemical_formula_sum            'Sb2 V'
_chemical_formula_weight         294.44
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.5538(1)
_cell_length_b                   6.5538(1)
_cell_length_c                   5.6366(2)
_cell_measurement_temperature    293(2)
_cell_volume                     242.105(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    8.078
_exptl_crystal_density_meas      8.04(3)
_cod_original_formula_sum        'Sb2 V1'
_cod_database_code               8100157
Crystal structure of yttrium copper gallide, Y~3~Cu~4~Ga~7~
Speka, Maryna; Prots, Yurii; Belyavina, Nadiya M.; Markiv, Vasyl Ya.; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 211–212; doi:

data_8100158
_publ_section_title
;
Crystal structure of yttrium copper gallide, Y~3~Cu~4~Ga~7~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              211
_journal_page_last               212
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'Cu4 Ga7 Y3'
_chemical_formula_weight         2017.86
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.1867(2)
_cell_length_b                   9.3794(3)
_cell_length_c                   12.3673(5)
_cell_volume                     485.65(6)
_diffrn_ambient_temperature      295.1500
_exptl_crystal_density_diffrn    6.899
_cod_original_formula_sum        'Y3 Ga7 Cu4'
_cod_database_code               8100158