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謝謝各位神仙，求cif，很急！拜托了！

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感謝參與，應助指數(shù) +1

文件名sm_isp_sd_0531740_download，將下面內容粘貼到txt，并將后綴名修改為cif

##CIF_1.1

data_sm_global
#Used dictionaries
loop_
_audit_conform_dict_name
_audit_conform_dict_version
_audit_conform_dict_location
cif_core.dic 2.4.2 .
cif_pd.dic 1.0.1 .
cif_sm.dic 0.1 'redaktion.landolt-boernstein(at)springer.com'

#About this content and reference
_sm_credits_copyright
;PAULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014.
http://www.paulingfile.com
Unique LPF ID Number SD0531740
Project Coordinator: Shuichi Iwata
Section-Editors: Karin Cenzual (Crystal Structures), Hiroaki Okamoto (Phase
Diagrams), Fritz Hulliger (Physical Properties)
(c) Springer & Material Phases Data System (MPDS), Switzerland & National
Institute for Materials Science (NIMS), Japan 2014.
(Data generated pre-2002: (c) Springer & MPDS & NIMS;
post-2001: (c) Springer & MPDS)
All Rights Reserved. Version 2014.06.
;

_audit_creation_method
;This data have been compiled from the crystallographic datasheet for
"β'CoS1.097 (Co7S8 ht) Crystal Structure"
taken from SpringerMaterials (sm_isp_sd_0531740).
;

_publ_section_references
;Kuznetsov V.G., Sokolova M.A., Palkina K.K., Popova Z.V.: <i>The cobalt-sulfur system</i>. Inorganic Materials (translated from Neorganicheskie Materialy) <b>1</b> (1965) 617-632.
;

#Phase classification
_sm_phase_labels 'Co7S8 ht'
_chemical_name_mineral ''
_sm_chemical_compound_class 'sulfide'
_sm_phase_prototype 'Fe7 Se8 '
_sm_pearson_symbol 'hP45'
_symmetry_Int_Tables_number 152
_sm_sample_details
;sample prepared from Co, S,
chemical analysis,
powder (determination of cell parameters)
;
_sm_measurement_details
;film (determination of cell parameters),
X-rays, Fe Kα (determination of cell parameters)
;
_sm_interpretation_details
;cell parameters determined
;

data_sm_isp_SD0531740-standardized_unitcell
#Cell Parameters
_cell_length_a 10.1
_cell_length_b 10.1
_cell_length_c 15.48
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 0.652
_sm_length_ratio_ca 1.533
_cell_volume 1367.55
_symmetry_space_group_name_H-M 'P63/mmc'
_symmetry_Int_Tables_number 194
_cell_formula_units_Z 27
_sm_cell_transformation
;No transformation from published to standardized cell parameters necessary.
;

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
? ? ? ? ? ? ? ? ? ?

data_sm_isp_SD0531740-published_cell
#Cell Parameters
_cell_length_a 10.1
_cell_length_b 10.1
_cell_length_c 15.48
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 0.652
_sm_length_ratio_ca 1.533
_cell_volume 1367.55
_symmetry_space_group_name_H-M 'P63/mmc'
_symmetry_Int_Tables_number 194
_cell_formula_units_Z 27

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
? ? ? ? ? ? ? ? ? ?

data_sm_isp_SD0531740-niggli_reduced_cell
#Cell Parameters
_cell_length_a 10.1
_cell_length_b 10.1
_cell_length_c 15.48
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 0.652
_sm_length_ratio_ca 1.533
_cell_volume 1367.55
_symmetry_space_group_name_H-M ''
_symmetry_Int_Tables_number ?
_cell_formula_units_Z 27

#Atom Coordinates
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_sm_site_symmetry
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_sm_coordination_number
_sm_atomic_environment_type
? ? ? ? ? ? ? ? ? ?

data_sm_isp_SD0531740-powder_pattern
#Powder Pattern
#Note: Powder patterns are provided using custom cif-fields!
loop_
_sm_powderpattern_unit_published_line
_sm_powderpattern_value_published_line
_sm_powderpattern_unit_computed_line
_sm_powderpattern_value_computed_line
_sm_powderpattern_intensity
_sm_powderpattern_miller_indices_h
_sm_powderpattern_miller_indices_k
_sm_powderpattern_miller_indices_l
_sm_powderpattern_radiation
_sm_powderpattern_remark
'd' 5.40 'd' 0.5400 2 1 0 2 'Fe Kα' ''
'd' 4.60 'd' 0.4600 2 1 0 3 'Fe Kα' ''
'd' 3.20 'd' 0.3200 3.5 2 1 1 'Fe Kα' ''
'd' 2.891 'd' 0.2891 18 3 0 0 'Fe Kα' 'additional indices 2 0 4, 3 0 1'
'd' 2.789 'd' 0.2789 2 2 1 3 'Fe Kα' ''
'd' 2.523 'd' 0.2523 35 3 0 3 'Fe Kα' 'additional indices 2 0 5, 2 2 0, 2 1 4'
'd' 2.254 'd' 0.2254 3.5 2 1 5 'Fe Kα' ''
'd' 2.195 'd' 0.2195 3.5 3 0 5 'Fe Kα' ''
'd' 1.931 'd' 0.1931 100 0 0 8 'Fe Kα' 'additional indices 3 0 6'
'd' 1.854 'd' 0.1854 3.5 4 1 2 'Fe Kα' ''
'd' 1.792 'd' 0.1792 2 4 1 3 'Fe Kα' 'additional indices 4 0 5'
'd' 1.744 'd' 0.1744 3.5 5 0 0 'Fe Kα' ''
'd' 1.679 'd' 0.1679 55 3 3 0 'Fe Kα' 'additional indices 3 3 1'
'd' 1.655 'd' 0.1655 2 5 0 3 'Fe Kα' 'additional indices 4 2 0'
'd' 1.551 'd' 0.1551 2 0 0 10 'Fe Kα' ''
'd' 1.479 'd' 0.1479 6 3 0 9 'Fe Kα' 'additional indices 1 1 10'
'd' 1.459 'd' 0.1459 3.5 2 0 10 'Fe Kα' 'additional indices 4 2 5, 6 0 0, 5 1 4'
'd' 1.428 'd' 0.1428 2 4 3 1 'Fe Kα' ''
'd' 1.402 'd' 0.1402 10 3 1 9 'Fe Kα' 'additional indices 6 0 3, 2 1 10, 5 1 5, 5 2 0'
'd' 1.367 'd' 0.1367 3.5 3 0 10 'Fe Kα' 'additional indices 6 0 4'
'd' 1.322 'd' 0.1322 2 2 2 10 'Fe Kα' 'additional indices 6 0 5'
'd' 1.291 'd' 0.1291 6 0 0 12 'Fe Kα' ''
'd' 1.269 'd' 0.1269 55 6 0 6 'Fe Kα' 'additional indices 3 0 11'
'd' 1.241 'd' 0.1241 1 2 1 12 'Fe Kα' 'diffuse'
'd' 1.210 'd' 0.1210 2 6 2 1 'Fe Kα' ''
'd' 1.182 'd' 0.1182 2 4 0 11 'Fe Kα' 'additional indices 5 2 7, 6 2 3, 3 0 12'
'd' 1.116 'd' 0.1116 3.5 5 4 1 'Fe Kα' 'additional indices 6 0 9'
'd' 1.105 'd' 0.1105 3.5 4 3 9 'Fe Kα' 'additional indices 5 1 10, 3 0 13, 6 3 0'
'd' 1.090 'd' 0.1090 2 6 3 2 'Fe Kα' 'additional indices 7 0 7'
'd' 1.079 'd' 0.1079 18 6 3 3 'Fe Kα' ''
'd' 1.063 'd' 0.1063 3.5 6 2 7 'Fe Kα' 'additional indices 6 0 10'
'd' 1.039 'd' 0.1039 3.5 5 2 10 'Fe Kα' 'additional indices 5 0 12, 6 3 5'
'd' 1.026 'd' 0.1026 55 1 0 15 'Fe Kα' 'additional indices 3 2 13, 3 3 12'
'd' 1.015 'd' 0.1015 100 6 3 6 'Fe Kα' ''
'd' 0.990 'd' 0.0990 2 8 1 4 'Fe Kα' 'additional indices 7 2 6'
'd' 0.973 'd' 0.0973 3.5 7 0 10 'Fe Kα' 'additional indices 8 1 5, 9 0 0'

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