LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 4-O-acetyl-2,3-O-isopropylidene-D-lyxo-5-hexenose- N-(tert-butoxycarbonyl) hydrazone, C~16~H~26~N~2~O~6~
Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 407–408; doi:

data_8100714
_publ_section_title
;
Crystal structure of 4-O-acetyl-2,3-O-isopropylidene-D-lyxo-5-hexenose-
N-(tert-butoxycarbonyl) hydrazone, C~16~H~26~N~2~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              407
_journal_page_last               408
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C16 H26 N2 O6'
_chemical_formula_sum            'C16 H26 N2 O6'
_chemical_formula_weight         342.39
_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                   11.2063(6)
_cell_length_b                   12.3253(8)
_cell_length_c                   13.9731(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1930.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.178
_cod_database_code               8100714
Crystal structure of 2,3:4,6-di-O-isopropylidene-α-D-mannopyranoside, C~13~H~22~O~6~
Hahn, Dirk Uwe; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 409–410; doi:

data_8100715
_publ_section_title
;
Crystal structure of 2,3:4,6-di-O-isopropylidene-\a-D-mannopyranoside, 
C~13~H~22~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              409
_journal_page_last               410
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C13 H22 O6'
_chemical_formula_sum            'C13 H22 O6'
_chemical_formula_weight         274.31
_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                 101.91(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.784(2)
_cell_length_b                   8.497(2)
_cell_length_c                   12.665(4)
_cell_measurement_temperature    293(2)
_cell_volume                     714.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.275
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100715
Crystal structure of diglycine hydroxylammonium chloride, (C~2~H~5~NO~2~) ~2~[NH~3~(OH)]Cl
Andrade, L. C. R.; Costa, M.M.R.; Paixão, J.A.; Agostinho Moreira, J.; Santos, M.L.; Chaves, M.R.; Almeida, A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 433–434; doi:

data_8100716
_publ_section_title
;
Crystal structure of diglycine hydroxylammonium chloride, (C~2~H~5~NO~2~)
~2~[NH~3~(OH)]Cl
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              433
_journal_page_last               434
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'N H3 OH 1+, Cl 1-,2(C2 H5 N1 O2)'
_chemical_formula_structural     '(C2 H5 N1 O2)2 [NH3 (OH)]Cl'
_chemical_formula_sum            'C4 H14 Cl N3 O5'
_chemical_formula_weight         219.63
_chemical_name_common            'diglycine hydroxylammonium chloride'
_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                 99.290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3043(7)
_cell_length_b                   23.320(2)
_cell_length_c                   7.4900(10)
_cell_measurement_temperature    293(2)
_cell_volume                     914.34(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.595
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100716
Crystal structure of 1-(2,5-dimethylthien-3-yl)-2-[3-methyl-5-(p-methoxyphenyl) thien-2-yl]perfluorocyclopentene, C~23~H~18~F~6~OS~2~
Sun, Fan; Zhang, Fu-Shi; Pu, Shou-Zhi; Wang, Ru-Ji; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 417–418; doi:

data_8100717
_publ_section_title
;
Crystal structure of 1-(2,5-dimethylthien-3-yl)-2-[3-methyl-5-(p-methoxyphenyl)
thien-2-yl]perfluorocyclopentene, C~23~H~18~F~6~OS~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              417
_journal_page_last               418
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C23 H18 F6 O S2'
_chemical_formula_sum            'C23 H18 F6 O S2'
_chemical_formula_weight         488.49
_chemical_melting_point          346
_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                 101.234(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.225(2)
_cell_length_b                   17.710(3)
_cell_length_c                   8.962(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2214.4(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.465
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C23 H18 F6 O1 S2'
_cod_database_code               8100717
Crystal structure of di(hexaphenyldiphosphazenium) ethanolpentachlorobismuthate (III), (C~36~H~30~P~2~N)~2~[BiCl~5~(C~2~H~6~O)]
Tinant, Bernard; Declercq, Jean-Paul; Wullens, Hilda; Devillers, Michel; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 385–388; doi:

data_8100718
_publ_section_title
;
Crystal structure of di(hexaphenyldiphosphazenium) ethanolpentachlorobismuthate
(III), (C~36~H~30~P~2~N)~2~[BiCl~5~(C~2~H~6~O)]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              385
_journal_page_last               388
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[C36 H30 P2 N]2 [BiCl5 C2 H6 O]'
_chemical_formula_sum            'C74 H66 Bi Cl5 N2 O P4'
_chemical_formula_weight         1509.42
_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                75.06(2)
_cell_angle_beta                 71.68(2)
_cell_angle_gamma                71.73(2)
_cell_formula_units_Z            2
_cell_length_a                   13.751(3)
_cell_length_b                   16.190(4)
_cell_length_c                   17.100(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3377.8(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.484
_refine_diff_density_rms         0.090
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-09-11
;
_cod_database_code               8100718
Crystal structure of tetra(aqua)(μ-2-mercaptoacetato-S,O,O)calcium, Ca(SCH~2~COO)(H~2~O)~4~
Guillaume, Bruno; Cendrowski-Guillaume, Sophie; Nierlich, Martine; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 441–442; doi:

data_8100719
_publ_section_title
;
Crystal structure of tetra(aqua)(\m-2-mercaptoacetato-S,O,O)calcium, 
Ca(SCH~2~COO)(H~2~O)~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              441
_journal_page_last               442
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C2 H10 Ca O6 S'
_chemical_formula_sum            'C2 H10 Ca O6 S'
_chemical_formula_weight         202.24
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.5270(17)
_cell_length_b                   10.986(2)
_cell_length_c                   16.328(3)
_cell_measurement_temperature    123(2)
_cell_volume                     1529.6(5)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.756
_refine_diff_density_rms         0.056
_cod_original_formula_sum        'C2 H10 Ca1 O6 S1'
_cod_database_code               8100719
Crystal structure of 2,4,5,7-tetranitrofluorene, C~26~H~12~N~8~O~16~
Rubin, J. M.; Mazor, R.; Bernstein, R.; Khodorkovsky, V.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 439–440; doi:

data_8100720
_publ_section_title
;
Crystal structure of 2,4,5,7-tetranitrofluorene, C~26~H~12~N~8~O~16~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              439
_journal_page_last               440
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         C13H6N4O8
_chemical_formula_structural     'C13 H6 N4 O8'
_chemical_formula_sum            'C13 H6 N4 O8'
_chemical_formula_weight         346.22
_chemical_melting_point          535
_chemical_name_common            2,4,5,7-tetranitrofluorene
_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                 94.308(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.2952(18)
_cell_length_b                   10.6567(18)
_cell_length_c                   20.763(3)
_cell_measurement_temperature    295(2)
_cell_volume                     2712.7(7)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.695
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100720
_publ_section_additional_information
;
HR-MS(EI:) m\z: 347.026825 [M+] (Calculated for C13H7N4O8: 347.026388); 1H NMR
(200 MHz, CD3CN, 25oC, TMS) ( = 8.87 (m, 2 H, ArH), 8.80 (m, 2 H, ArH), 4.51 (s,
2 H, CH2); UV/Vis (CH2Cl2): (max (() = 350 (20000), 294 (13000), 254 (17000)
nm; IR (KBr): ?~ = 3110, 2932, 1763, 1620, 1546, 1423, 1368, 1173, 1098, 957, 93
957, 807 cm-1.
;
Crystal structure of trans-1-(2-methoxyphenyl)-4-[4-(2-phthalimido) cyclohexyl]-piperazine chloride monohydrate, (C~25~H~30~N~3~O~3~)Cl · H~2~O
Karolak-Wojciechowska, Janina; Fruziński, Andrzej; Paluchowska, Maria; Mokrosz, Maria; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 437–438; doi:

data_8100721
_publ_section_title
;
Crystal structure of trans-1-(2-methoxyphenyl)-4-[4-(2-phthalimido)
cyclohexyl]-piperazine chloride monohydrate, (C~25~H~30~N~3~O~3~)Cl 
&#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              437
_journal_page_last               438
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C25 H30 N3 O3+ .Cl- .H2O'
_chemical_formula_structural     '(C25 H30 N3 O3). Cl . H2O'
_chemical_formula_sum            'C25 H32 Cl N3 O4'
_chemical_formula_weight         472.00
_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                 101.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.640(3)
_cell_length_b                   22.585(5)
_cell_length_c                   7.4620(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2417.7(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.297
_refine_diff_density_rms         0.080
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100721
Crystal structure of 4-ethyl-3,5-dimethyl-1H-pyrolle-2-carboxylic acid ethyl ester, C~11~H~17~NO~2~
Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Sobral, A. J. F. N.; Lopes, S. H.; Rocha Gonsalves, A. M. d'A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 430–432; doi:

data_8100722
_publ_section_title
;
Crystal structure of 4-ethyl-3,5-dimethyl-1H-pyrolle-2-carboxylic 
acid ethyl ester, C~11~H~17~NO~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              430
_journal_page_last               432
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C11 H17 N O2'
_chemical_formula_sum            'C11 H17 N O2'
_chemical_formula_weight         195.26
_chemical_melting_point          358(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                90.00
_cell_angle_beta                 92.568(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.8338(5)
_cell_length_b                   8.2733(5)
_cell_length_c                   23.7004(16)
_cell_measurement_temperature    293(2)
_cell_volume                     2318.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.119
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100722
Crystal structure of piperazine-1,4-diium bis(salicylate), (C~4~H~12~N~2~) (C~7~H~5~O~3~)~2~
Wang, Kui Wu; Pan, Yuan Jiang; Jin, Zhi Min; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 435–436; doi:

data_8100723
_publ_section_title
;
Crystal structure of piperazine-1,4-diium bis(salicylate), (C~4~H~12~N~2~)
(C~7~H~5~O~3~)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              435
_journal_page_last               436
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         ' (C~4~H~12~N~2~)^2+^, 2(C~7~H~5~O~3~)^-^ '
_chemical_formula_sum            'C18 H22 N2 O6'
_chemical_formula_weight         362.38
_chemical_melting_point          180.5
_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                 92.860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.2440(10)
_cell_length_b                   14.669(2)
_cell_length_c                   9.2800(10)
_cell_measurement_temperature    296(2)
_cell_volume                     848.9(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.418
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        ' C18 H22 N2 O6'
_cod_database_code               8100723
Redetermination of the crystal structure of potassium trans-(dioxo) tetra(hydroxo)osmate(VI), K~2~[Os(OH)~4~(O)~2~]
Murmann, R. Kent; Barnes, Charles L.; Schlemper, E. O.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 303–304; doi:

data_8100724
_publ_section_title
;
Redetermination of the crystal structure of potassium trans-(dioxo)
tetra(hydroxo)osmate(VI), K~2~[Os(OH)~4~(O)~2~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              303
_journal_page_last               304
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'H4 K2 O6 Os1'
_chemical_formula_structural     'K2 [Os(OH)4 (O)2]'
_chemical_formula_sum            'H4 K2 O6 Os'
_chemical_formula_weight         368.43
_chemical_melting_point          dec
_chemical_name_common            'Potassium Osmate(VI)'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5856(4)
_cell_length_b                   5.5856(4)
_cell_length_c                   9.4170(10)
_cell_measurement_temperature    173(2)
_cell_volume                     293.80(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    4.165
_cod_duplicate_entry             8100663
_cod_original_formula_sum        'H4 K2 O6 Os1'
_cod_database_code               8100724
Crystal structure of diammonium indium (monophosphate- monohydrogenmonophosphate), (NH~4~)~2~In[(PO~4~)(HPO~4~)]
Li, Man-Rong; Mao, Shao-Yu; Chen, Hao-Hong; Deng, Jin-Feng; Mi, Jin-Xiao; Zhao, Jing-Tai; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 309–310; doi:

data_8100725
_publ_section_title
;
Crystal structure of diammonium indium (monophosphate-
monohydrogenmonophosphate), (NH~4~)~2~In[(PO~4~)(HPO~4~)]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              309
_journal_page_last               310
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '(NH4)2 In[P2 O7 (OH)]'
_chemical_formula_structural     '(NH4)2 In[P2 O7 (OH)]'
_chemical_formula_sum            'H9 In N2 O8 P2'
_chemical_formula_weight         341.85
_chemical_name_common            '(NH4)2 In[P2 O7 (OH)]'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.459(4)
_cell_length_b                   9.2002(18)
_cell_length_c                   9.7200(19)
_cell_measurement_temperature    295(2)
_cell_volume                     1561.3(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.909
_cod_database_code               8100725
Crystal structure of dilithium indium (monophosphate- monohydrogenmonophosphate), Li~2~In[(PO~4~)(HPO~4~)]
Mi, Jin-Xiao; Deng, Jin-Feng; Mao, Shao-Yu; Huang, Ya-Xi; Borrmann, Horst; Zhao, Jing-Tai; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 307–308; doi:10.1524/ncrs.2002.217.1.307

data_8100726
_publ_section_title
;
 Crystal structure of dilithium indium (monophosphate-
 monohydrogenmonophosphate), Li~2~In[(PO~4~)(HPO~4~)]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              307
_journal_page_last               308
_journal_paper_doi               10.1524/ncrs.2002.217.1.307
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Li2 In[P2 O7 (OH)]'
_chemical_formula_structural     'Li2 In[(PO4 )(HPO4)]'
_chemical_formula_sum            'H In Li2 O8 P2'
_chemical_formula_weight         319.65
_chemical_name_common            'Li2 In[(PO4 )(HPO4)]'
_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                 103.466(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.8345(7)
_cell_length_b                   8.2360(10)
_cell_length_c                   7.7276(11)
_cell_measurement_temperature    295(2)
_cell_volume                     299.23(7)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.548
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H1 In1 Li2 O8 P2'
_cod_database_code               8100726
Crystal structure of caesium tetrathioantimonate(V), Cs~3~SbS~4~
So, Won-Wook; Martin, Benjamin R.; Dorhout, Peter K.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 302–302; doi:

data_8100727
_publ_section_title
;
Crystal structure of caesium tetrathioantimonate(V), Cs~3~SbS~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              302
_journal_page_last               302
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Cs3 Sb S4'
_chemical_formula_sum            'Cs3 S4 Sb'
_chemical_formula_weight         648.72
_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                   9.9398(19)
_cell_length_b                   11.667(2)
_cell_length_c                   9.9912(17)
_cell_measurement_temperature    298(2)
_cell_volume                     1158.7(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    3.719
_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_original_formula_sum        'Cs3 Sb S4'
_cod_database_code               8100727