LMucko/crystallography-open-database huggingface dataset:
Crystal structure of nonafluoro-{N-[(E)-2-(4-hydroxy-phenyl)diazenyl]- phenyl}-1-butanesulfonamide, C~16~H~10~F~9~N~3~O~3~S
Ziegler, Thomas; Àlvarez Micó, Xavier; Richter, Markus; Schwarz, Simon; Strähle, Joachim; Subramanian, Lakshminarayanapuram Ramaswamí; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 547–548; doi:

data_8100489
_publ_section_title
;
Crystal structure of nonafluoro-{N-[(E)-2-(4-hydroxy-phenyl)diazenyl]-
phenyl}-1-butanesulfonamide, C~16~H~10~F~9~N~3~O~3~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              547
_journal_page_last               548
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         C16H10F9N3O3S
_chemical_formula_structural     'C16 H10 F9 N3 O3 S'
_chemical_formula_sum            'C16 H10 F9 N3 O3 S'
_chemical_formula_weight         495.33
_chemical_name_common            C16H10F9N3O3S
_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                105.731(6)
_cell_angle_beta                 93.187(5)
_cell_angle_gamma                97.036(7)
_cell_formula_units_Z            2
_cell_length_a                   5.4635(2)
_cell_length_b                   10.2660(13)
_cell_length_c                   17.6448(16)
_cell_measurement_temperature    213(2)
_cell_volume                     941.33(15)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.748
_cod_original_formula_sum        'C16 H10 F9 N3 O3 S1'
_cod_database_code               8100489
Crystal structure of nonafluoro-{N-[(E)-2-(2-hydroxy-phenyl)diazenyl]-phenyl}- 1-butanesulfonamide, C~16~H~10~F~9~N~3~O~3~S
Ziegler, Thomas; Àlvarez Micó, Xavier; Richter, Markus; Schwarz, Simon; Strähle, Joachim; Subramanian, Lakshminarayanapuram Ramaswamí; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 549–550; doi:

data_8100490
_publ_section_title
;
Crystal structure of nonafluoro-{N-[(E)-2-(2-hydroxy-phenyl)diazenyl]-phenyl}-
1-butanesulfonamide, C~16~H~10~F~9~N~3~O~3~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              549
_journal_page_last               550
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C16 H10 F9 N3 O3 S'
_chemical_formula_sum            'C16 H10 F9 N3 O3 S'
_chemical_formula_weight         495.33
_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                 90.446(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.6549(3)
_cell_length_b                   12.2550(9)
_cell_length_c                   27.170(6)
_cell_measurement_temperature    213(2)
_cell_volume                     1882.9(5)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.747
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H10 F9 N3 O3 S1'
_cod_database_code               8100490
Crystal structure of manganese gallium germanium silicon oxide (garnet type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; y = 0.44, z = 0), and of manganese gallium germanium silicon oxide (braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 0.4)
Wartchow, Rudolf; Müller, Lena; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 373–375; doi:

data_8100491
_publ_section_title
;
Crystal structure of manganese gallium germanium silicon oxide (garnet 
type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; 
y = 0.44, z = 0), and of manganese gallium germanium silicon oxide 
(braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 
0.4)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               375
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural
;
Mn3 (Ga2-y Mn~y) (Ge3-z Si~z) O12,
Mn(Mn6-y Ga~y) (Si1-z Ge~z) O12
;
_chemical_formula_sum            'Ga1.39 Ge2.86 Mn3.61 O12 Si0.14'
_chemical_formula_weight         698.78
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.043(3)
_cell_length_b                   12.043(3)
_cell_length_c                   12.043(3)
_cell_measurement_temperature    300(2)
_cell_volume                     1746.6(8)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    5.32
_cod_database_code               8100491
Crystal structure of manganese gallium germanium silicon oxide (garnet type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; y = 0.44, z = 0), and of manganese gallium germanium silicon oxide (braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 0.4)
Wartchow, Rudolf; Müller, Lena; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 373–375; doi:

data_8100492
_publ_section_title
;
Crystal structure of manganese gallium germanium silicon oxide (garnet 
type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; 
y = 0.44, z = 0), and of manganese gallium germanium silicon oxide 
(braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 
0.4)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               375
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Mn3 (Ga1.56 Mn0.44) Ge O12'
_chemical_formula_sum            'Ga1.56 Ge3 Mn3.44 O12'
_chemical_formula_weight         707.56
_chemical_name_common            'manganese gallium germanium garnet'
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.049(3)
_cell_length_b                   12.049(3)
_cell_length_c                   12.049(3)
_cell_measurement_temperature    300(2)
_cell_volume                     1749.3(8)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    5.373
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_database_code               8100492
Crystal structure of manganese gallium germanium silicon oxide (garnet type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; y = 0.44, z = 0), and of manganese gallium germanium silicon oxide (braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 0.4)
Wartchow, Rudolf; Müller, Lena; Binnewies, Michael; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 373–375; doi:

data_8100493
_publ_section_title
;
Crystal structure of manganese gallium germanium silicon oxide (garnet 
type), Mn~3~(Ga~2-y~Mn~y~)(Ge~3-z~Si~z~)O~12~ (y = 0.6, z = 0.14; 
y = 0.44, z = 0), and of manganese gallium germanium silicon oxide 
(braunite type), Mn(Mn~6-y~Ga~y~)(Si~1-z~Ge~z~)O~12~ (y = 0.7, z = 
0.4)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               375
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Mn (Mn5.3 Ga0.7) (Si0.6 Ge0.4) O12'
_chemical_formula_sum            'Ga0.7 Ge0.4 Mn6.3 O12 Si0.6'
_chemical_formula_weight         632.8
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c 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                   9.464(4)
_cell_length_b                   9.464(4)
_cell_length_c                   18.78(3)
_cell_measurement_temperature    300(2)
_cell_volume                     1682(3)
_exptl_crystal_density_diffrn    4.998
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_database_code               8100493
Crystal structure of tricerium dialuminide diiodide, Ce~3~Al~2~I~2~
Mattausch, Hansjürgen; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 376–376; doi:

data_8100494
_publ_section_title
;
Crystal structure of tricerium dialuminide diiodide, Ce~3~Al~2~I~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              376
_journal_page_last               376
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Ce3 Al2 I2'
_chemical_formula_sum            'Al2 Ce3 I2'
_chemical_formula_weight         728.12
_chemical_name_common            tricerium-diiodide-dialuminide
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 121.35(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.542(2)
_cell_length_b                   4.2720(10)
_cell_length_c                   12.198(2)
_cell_measurement_temperature    293(2)
_cell_volume                     869.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.561
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8100494
Crystal structure of discandium tris-monohydrogenphosphate(III), Sc~2~(HPO~3~)~3~
Ewald, Bastian; Prots, Yurii; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 377–378; doi:

data_8100495
_publ_section_title
;
Crystal structure of discandium tris-monohydrogenphosphate(III), 
Sc~2~(HPO~3~)~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              377
_journal_page_last               378
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Sc2 (HPO3)3'
_chemical_formula_sum            'H3 O9 P3 Sc2'
_chemical_formula_weight         329.85
_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            2
_cell_length_a                   8.3055(7)
_cell_length_b                   8.3055(7)
_cell_length_c                   7.6969(10)
_cell_measurement_temperature    293(2)
_cell_volume                     459.81(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.382
_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_original_sg_symbol_H-M      'P ???'
_cod_database_code               8100495
Crystal structure of rubidium copper silver oxide, Rb~3~Cu~0.5~Ag~0.5~O~2~
Sofin, Mikhail; Peters, Eva-Maria; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 379–380; doi:

data_8100496
_publ_section_title
;
Crystal structure of rubidium copper silver oxide, Rb~3~Cu~0.5~Ag~0.5~O~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              379
_journal_page_last               380
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Rb3 Cu0.5 Ag0.5 O2'
_chemical_formula_sum            'Ag0.5 Cu0.5 O2 Rb3'
_chemical_formula_weight         777.60
_chemical_name_common            'rubidium cuprate(I) argentate(I)'
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.0169(3)
_cell_length_b                   9.0169(3)
_cell_length_c                   14.1195(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1148.0(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.493
_cod_database_code               8100496
Crystal structure of tetrasodium tetraselenidosilicate(IV), Na~4~SiSe~4~
Preishuber-Pflügl, Helga; Klepp, O. Kurt; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 383–384; doi:

data_8100497
_publ_section_title
;
Crystal structure of tetrasodium tetraselenidosilicate(IV), Na~4~SiSe~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              383
_journal_page_last               384
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Na4 Se4 Si'
_chemical_formula_structural     'Na4 Si Se4'
_chemical_formula_sum            'Na4 Se4 Si'
_chemical_formula_weight         435.88
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.182(5)
_cell_length_b                   9.208(3)
_cell_length_c                   7.122(3)
_cell_measurement_temperature    294(1)
_cell_volume                     930.1(5)
_exptl_crystal_density_diffrn    3.113
_cod_original_formula_sum        'Na4 Se4 Si1'
_cod_database_code               8100497
Refinement of the crystal structure of dirubidium trithioargentate(I), Rb~2~Ag~4~S~3~
Klepp, Kurt O.; Sing, Martin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 385–386; doi:

data_8100498
_publ_section_title
;
Refinement of the crystal structure of dirubidium trithioargentate(I), 
Rb~2~Ag~4~S~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              385
_journal_page_last               386
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Rb2 Ag4 S3'
_chemical_formula_sum            'Ag4 Rb2 S3'
_chemical_formula_weight         698.61
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4.00
_cell_length_a                   17.808(8)
_cell_length_b                   4.310(2)
_cell_length_c                   11.799(5)
_cell_measurement_temperature    294
_cell_volume                     858.73
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.40
_refine_ls_R_factor_obs          0.038
_refine_ls_wR_factor_obs         0.038
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8100498
Crystal structure of tricalcium tantalum trigallium disilicon oxide, Ca~3~TaGa~3~Si~2~O~14~
Wang, Zeng-Mei; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang; Shi, Xu-Zhong; Xu, Dong; Lv, Meng-Kai; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 389–390; doi:

data_8100499
_publ_section_title
;
Crystal structure of tricalcium tantalum trigallium disilicon oxide, 
Ca~3~TaGa~3~Si~2~O~14~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              389
_journal_page_last               390
_journal_volume                  218
_journal_year                    2003
_chemical_absolute_configuration ad
_chemical_formula_moiety         'Ga3 O14 Si2 Ta, 3(Ca) '
_chemical_formula_structural     'Ca3 Ta Ga3 Si2 O14 '
_chemical_formula_sum            'Ca3 Ga3 O14 Si2 Ta'
_chemical_formula_weight         790.53
_chemical_name_common            'calcium tantalum gallosilicate'
_space_group_IT_number           150
_space_group_name_Hall           'P 3 2"'
_space_group_name_H-M_alt        'P 3 2 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   8.1081(4)
_cell_length_b                   8.1081(4)
_cell_length_c                   4.9850(4)
_cell_measurement_temperature    293(2)
_cell_volume                     283.81(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.625
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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_Hall     'P 3 2" '
_cod_database_code               8100499
Crystal structure of tetrarubidium hexathiodigermananate(IV), Rb~4~Ge~2~S~6~
Preishuber-Pflügl, Helga; Klepp, Kurt O.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 387–388; doi:

data_8100500
_publ_section_title
;
Crystal structure of tetrarubidium hexathiodigermananate(IV), Rb~4~Ge~2~S~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              387
_journal_page_last               388
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Ge Rb2 S3'
_chemical_formula_structural     'Rb2 Ge S3 '
_chemical_formula_sum            'Ge Rb2 S3'
_chemical_formula_weight         339.71
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 135.06(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.43(5)
_cell_length_b                   6.898(3)
_cell_length_c                   11.15(3)
_cell_measurement_temperature    296.1
_cell_volume                     729.2(33)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Ge1 Rb2 S3'
_cod_database_code               8100500
Crystal structure of trichloro(N-trimethylsilyl) phosphoraniminetrichloroaluminum, [(CH~3~)~3~Si(N)PCl~3~AlCl~3~]
Jäschke, Britta; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 381–382; doi:

data_8100501
_publ_section_title
;
Crystal structure of trichloro(N-trimethylsilyl)
phosphoraniminetrichloroaluminum, [(CH~3~)~3~Si(N)PCl~3~AlCl~3~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              381
_journal_page_last               382
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[(CH3)3 Si(N)PCl3 AlCl3]'
_chemical_formula_sum            'C3 H9 Al Cl6 N P Si'
_chemical_formula_weight         357.85
_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                 116.128(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.541(3)
_cell_length_b                   12.615(2)
_cell_length_c                   16.210(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2853.2(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.666
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100501
Crystal structure of iron nickel phosphide, Fe~1.7~Ni~1.3~P, a Schreibersite extracted from Canyon Diablo meteorite
Moretzki, Olaf; Doering, Thomas; Geist, Volker; Morgenroth, Wolfgang; Wendschuh, Michael; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 391–392; doi:

data_8100502
_publ_section_title
;
Crystal structure of iron nickel phosphide, Fe~1.7~Ni~1.3~P, a Schreibersite 
extracted from Canyon Diablo meteorite
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              391
_journal_page_last               392
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Fe1.7 Ni1.3 P'
_chemical_formula_sum            'Fe13.6 Ni10.4 P8'
_chemical_formula_weight         1617.90
_chemical_name_common            Schreibersite
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   9.0487(13)
_cell_length_b                   9.0487(13)
_cell_length_c                   4.4646(9)
_cell_measurement_temperature    293(2)
_cell_volume                     365.56(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.349
_cod_original_formula_sum        'Fe13.60 Ni10.40 P8'
_cod_database_code               8100502