LMucko/crystallography-open-database huggingface dataset:
Crystal structure of Boc-L-Ile-ΔPhe-Ile-OCH~3~, C~27~H~41~N~3~O~6~ · H~2~O
Makker, J.; Dey, S.; Kumar, P.; Singh, T. P.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 179–180; doi:

data_8100353
_publ_section_title
;
Crystal structure of Boc-L-Ile-\DPhe-Ile-OCH~3~, C~27~H~41~N~3~O~6~ 
&#x00B7; H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              179
_journal_page_last               180
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C27 H41 N3 O6 , H2 O'
_chemical_formula_sum            'C27 H43 N3 O7'
_chemical_formula_weight         521.6
_chemical_name_common
;
butyloxycarbonyl-isoleucyl-dehydro-phenylalanyl-isoleucine methyl ester
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.000(10)
_cell_angle_beta                 90.000(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   12.2020(10)
_cell_length_b                   27.7900(10)
_cell_length_c                   9.1280(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3095.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.081
_cod_depositor_comments
;
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               8100353
Crystal structure of bis(dipentyldithiocarbamato)nickel(II), Ni(C~11~H~22~NS~2~)~2~
Kameníček, Jiří; Pastorek, Richard; Cvek, Boris; Taraba, Jan; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 205–206; doi:

data_8100354
_publ_section_title
;
Crystal structure of bis(dipentyldithiocarbamato)nickel(II), 
Ni(C~11~H~22~NS~2~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              205
_journal_page_last               206
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         Ni(dpdtc)2
_chemical_formula_structural     'Ni(C11 H22 N S2)2'
_chemical_formula_sum            'C22 H44 N2 Ni S4'
_chemical_formula_weight         523.54
_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                 114.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.402(2)
_cell_length_b                   13.261(3)
_cell_length_c                   10.701(2)
_cell_measurement_temperature    120(2)
_cell_volume                     1340.1(5)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.297
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C22 H44 N2 Ni1 S4'
_cod_database_code               8100354
Crystal structure of sodium cadmium diaqua catena-[monoborodiphosphate]- hydrate, NaCd(H~2~O)~2~[BP~2~O~8~] · 0.8H~2~O
Ge, Ming-Hui; Mi, Jin-Xiao; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 165–166; doi:10.1524/ncrs.2003.218.2.165

data_8100355
_publ_section_title
;
 Crystal structure of sodium cadmium diaqua catena-[monoborodiphosphate]-
 hydrate, NaCd(H~2~O)~2~[BP~2~O~8~] &#x00B7; 0.8H~2~O
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              165
_journal_page_last               166
_journal_paper_doi               10.1524/ncrs.2003.218.2.165
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'NaCd(H2 O)2 [BP2 O8] &#x00B7; 0.79 H2 O'
_chemical_formula_structural     'NaCd(H2 O)2 [BP2 O8] &#x00B7; 0.8 H2 O'
_chemical_formula_sum            'B Cd H6 Na O10.79 P2'
_chemical_formula_weight         386.59
_space_group_IT_number           178
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61 2 (0 0 5)'
_symmetry_space_group_name_H-M   'P 61 2 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   9.7130(14)
_cell_length_b                   9.7130(14)
_cell_length_c                   16.136(3)
_cell_measurement_temperature    273(2)
_cell_volume                     1318.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.922
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

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.

'_atom_site_refinement_flags' value 'd' changed to 'D'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (2 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'H6 B1 Cd1 Na1 O10.79 P2'
_cod_database_code               8100355
Crystal structure of potassium bismuth hexathiodiphosphate, KBiP~2~S~6~
Manriquez, Víctor; Galdámez, Antonio; León, D. Ruiz; Garland, M. T.; Jiménez, M.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 151–152; doi:

data_8100356
_publ_section_title
;
Crystal structure of potassium bismuth hexathiodiphosphate, KBiP~2~S~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              151
_journal_page_last               152
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'K Bi P2 S6'
_chemical_formula_sum            'Bi K P2 S6'
_chemical_formula_weight         502.38
_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                 92.1080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.6200(6)
_cell_length_b                   7.4058(7)
_cell_length_c                   9.9002(9)
_cell_measurement_temperature    293(2)
_cell_volume                     485.04(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.440
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Bi1 K1 P2 S6'
_cod_database_code               8100356
Crystal structure of di(N-lithiummethylamino)bis(dimethylamino)silane, Si(NLiCH~3~)~2~(N(CH~3~)~2~)~2~
Engering, Josef; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 153–154; doi:

data_8100357
_publ_section_title
;
Crystal structure of di(N-lithiummethylamino)bis(dimethylamino)silane, 
Si(NLiCH~3~)~2~(N(CH~3~)~2~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_page_last               154
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         Si(NLiCH~3~)~2~(N(CH~3~)~2~)~2~
_chemical_formula_structural     'Si(NLiCH3)2 (N(CH3)2)2'
_chemical_formula_sum            'C12 H36 Li4 N8 Si2'
_chemical_formula_weight         376.43
_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                 117.88(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.468(4)
_cell_length_b                   12.870(3)
_cell_length_c                   20.568(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4555.4(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.098
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100357
Refinement of the crystal structure of trimercury(II) orthoborate, Hg~3~(BO3)~2~
Weil, Matthias; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 155–156; doi:

data_8100358
_publ_section_title
;
Refinement of the crystal structure of trimercury(II) orthoborate, 
Hg~3~(BO3)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              155
_journal_page_last               156
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '(Hg 2+)3, (B O3 3-)2'
_chemical_formula_structural     'Hg3 (B O3)2'
_chemical_formula_sum            'B2 Hg3 O6'
_chemical_formula_weight         719.39
_space_group_IT_number           167
_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                   8.8936(9)
_cell_length_b                   8.8936(9)
_cell_length_c                   13.052(3)
_cell_measurement_temperature    293(2)
_cell_volume                     894.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    8.017
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               8100358
Crystal structure of dithiocyanatotetra(dimethylformamide)manganese (II), Mn(NCS)~2~[OCHN(CH~3~)~2~]~4~
Zhao, Ming-Gen; Shi, Jing-Min; Wu, Chang-Ju; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 157–158; doi:

data_8100359
_publ_section_title
;
Crystal structure of dithiocyanatotetra(dimethylformamide)manganese
(II), Mn(NCS)~2~[OCHN(CH~3~)~2~]~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              157
_journal_page_last               158
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Mn(NCS)2 (OCH(CH3)2)4'
_chemical_formula_sum            'C14 H28 Mn N6 O4 S2'
_chemical_formula_weight         463.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.12(3)
_cell_angle_beta                 68.90(3)
_cell_angle_gamma                67.61(2)
_cell_formula_units_Z            1
_cell_length_a                   7.273(16)
_cell_length_b                   9.55(2)
_cell_length_c                   9.68(2)
_cell_measurement_temperature    298(2)
_cell_volume                     580(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.327
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum        'C14 H28 Mn1 N6 O4 S2'
_cod_database_code               8100359
Crystal structure of erbium vanadium tantal boride, Er(V~0.77~Ta~0.23~) VB~6~
Kuz'ma, Yurii; Prots, Yurii; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 159–160; doi:

data_8100360
_publ_section_title
;
Crystal structure of erbium vanadium tantal boride, Er(V~0.77~Ta~0.23~)
VB~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              159
_journal_page_last               160
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Er V1.77 Ta0.23 B6'
_chemical_formula_sum            'B24 Er4 Ta0.93 V7.07'
_chemical_formula_weight         1456.55
_chemical_name_common            'Er Ta0.23 V1.77 B6'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.280(2)
_cell_length_b                   8.940(2)
_cell_length_c                   3.3900(10)
_cell_measurement_temperature    293
_cell_volume                     341.9(2)
_diffrn_ambient_temperature      295.1500
_exptl_crystal_density_diffrn    7.074(5)
_refine_ls_R_factor_obs          0.0336
_refine_ls_wR_factor_obs         0.0336
_cod_original_formula_sum        'Er4 Ta0.93 V7.07 B24'
_cod_database_code               8100360
Crystal structure of the α-modification of caesium gallium(III) monohydrogen triphosphate, α-CsGaHP~3~O~10~
Mi, Jin-Xiao; Borrmann, Horst; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 167–168; doi:10.1524/ncrs.2003.218.2.167

data_8100361
_publ_section_title
;
 Crystal structure of the \a-modification of caesium gallium(III) 
 monohydrogen triphosphate, \a-CsGaHP~3~O~10~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              167
_journal_page_last               168
_journal_paper_doi               10.1524/ncrs.2003.218.2.167
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'CsGaHP3 O10 '
_chemical_formula_structural     'CsGaHP3 O10'
_chemical_formula_sum            'Cs Ga H O10 P3'
_chemical_formula_weight         456.55
_chemical_name_common            'CsGaHP3 O10 '
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.993(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.0613(13)
_cell_length_b                   8.7105(9)
_cell_length_c                   6.2195(8)
_cell_measurement_temperature    295(2)
_cell_volume                     455.17(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.331
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'H1 Cs1 Ga1 O10 P3'
_cod_database_code               8100361
Crystal structure of the 1M-modification of caesium gallium(III) monohydrogen triphosphate, 1M-CsGaHP~3~O~10~
Mi, Jin-Xiao; Borrmann, Horst; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 169–170; doi:10.1524/ncrs.2003.218.2.169

data_8100362
_publ_section_title
;
 Crystal structure of the 1M-modification of caesium gallium(III) monohydrogen
 triphosphate, 1M-CsGaHP~3~O~10~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              169
_journal_page_last               170
_journal_paper_doi               10.1524/ncrs.2003.218.2.169
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'CsGaHP3 O10 '
_chemical_formula_structural     'CsGaHP3 O10 '
_chemical_formula_sum            'Cs Ga H O10 P3'
_chemical_formula_weight         456.55
_chemical_name_common            'CsGaHP3 O10 '
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.793(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8429(13)
_cell_length_b                   4.9523(5)
_cell_length_c                   11.0844(14)
_cell_measurement_temperature    295(2)
_cell_volume                     459.54(10)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.299
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H1 Cs1 Ga1 O10 P3'
_cod_database_code               8100362
The crystal structure of cerium decanickel tetraphosphide, CeNi~10~P~4~
Budnyk, Sergii; Prots, Yurii; Kuz'ma, Yurii; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 161–162; doi:

data_8100363
_publ_section_title
;
The crystal structure of cerium decanickel tetraphosphide, CeNi~10~P~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               162
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Ce Ni10 P4'
_chemical_formula_sum            'Ce Ni10 P4'
_chemical_formula_weight         851.10
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2630(10)
_cell_length_b                   3.6654(5)
_cell_length_c                   22.092(3)
_cell_measurement_temperature    293(2)
_cell_volume                     750.08(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.537
_cod_original_formula_sum        'Ce1 Ni10 P4'
_cod_database_code               8100363
Crystal structure of tristrontium tetranitridochromate(VI), Sr~3~[CrN~4~]
Niewa, R.; Zherebtsov, D. A.; Höhn, P.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 163–163; doi:

data_8100364
_publ_section_title
;
Crystal structure of tristrontium tetranitridochromate(VI), Sr~3~[CrN~4~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              163
_journal_page_last               163
_journal_volume                  218
_journal_year                    2003
_chemical_formula_analytical     'Sr3 [Cr N4]'
_chemical_formula_structural     'Sr3 Cr N4'
_chemical_formula_sum            'Cr N4 Sr3'
_chemical_formula_weight         370.88
_chemical_name_common            'Sr3 Cr N4'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_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                   10.19753(1)
_cell_length_b                   9.56517(1)
_cell_length_c                   11.16753(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1089.29(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.5229(2)
_cod_original_formula_sum        'Cr1 N4 Sr3'
_cod_database_code               8100364
Crystal structure of caesium gallium(III) catena-[monohydrogen-monoborate- bis(monophosphate)], CsGa[BP~2~O~8~(OH)]
Mi, Jin-Xiao; Huang, Ya-Xi; Mao, Shao-yu; Borrmann, Horst; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 171–172; doi:10.1524/ncrs.2003.218.2.171

data_8100365
_publ_section_title
;
Crystal structure of caesium gallium(III) catena-[monohydrogen-monoborate-
bis(monophosphate)], CsGa[BP~2~O~8~(OH)]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1524/ncrs.2003.218.2.171
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'CsGa[BP2 O8 (OH)]'
_chemical_formula_structural     'CsGa[BP2 O8 (OH)]'
_chemical_formula_sum            'B Cs Ga H O9 P2'
_chemical_formula_weight         420.39
_chemical_name_common            'CsGa[BP2 O8 (OH)]'
_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                 103.059(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2586(11)
_cell_length_b                   8.6462(9)
_cell_length_c                   9.6149(13)
_cell_measurement_temperature    295(2)
_cell_volume                     749.78(16)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.724
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H1 B1 Cs1 Ga1 O9 P2'
_cod_database_code               8100365
Crystal structure of yttrium borosilicide, Y~5~Si~2-x~B~8~(x = 0.13)
Roger, Jérôme; Jardin, Régis; Babizhetskyy, Volodymyr; Députier, Stéphanie; Bauer, Joseph; Guérin, Roland; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 173–174; doi:

data_8100367
_publ_section_title
;
Crystal structure of yttrium borosilicide, Y~5~Si~2-x~B~8~(x = 0.13)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              173
_journal_page_last               174
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Y5 B8 Si2'
_chemical_formula_sum            'B8 Si2 Y5'
_chemical_formula_weight         587.2
_chemical_name_common            'Yttrium Borosilicide'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.2234(2)
_cell_length_b                   7.2234(2)
_cell_length_c                   8.0961(3)
_cell_measurement_temperature    293(2)
_cell_volume                     422.43(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.617
_cod_original_formula_sum        'Y5 Si2 B8'
_cod_database_code               8100367