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##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 SD0458070
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
"CdSe (hp) Crystal Structure"
taken from SpringerMaterials (sm_isp_sd_0458070).
;
_publ_section_references
;Mariano A.N., Warekois E.P.: <i>High Pressure Phases of Some Compounds of Groups II-VI</i>. Science (Washington, DC, United States) <b>142</b> (1963) 672-673.
;
#Phase classification
_sm_phase_labels 'CdSe hp1'
_chemical_name_mineral 'zhamanshinite [not IMA]'
_sm_chemical_compound_class 'selenide'
_sm_phase_prototype 'NaCl'
_sm_pearson_symbol 'cF8'
_symmetry_Int_Tables_number 225
_sm_sample_details
;
;
_sm_measurement_details
;
;
_sm_interpretation_details
;
;
data_sm_isp_SD0458070-standardized_unitcell
#Cell Parameters
_cell_length_a 5.49
_cell_length_b 5.49
_cell_length_c 5.49
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 165.47
_symmetry_space_group_name_H-M 'Fm-3m'
_symmetry_Int_Tables_number 225
_cell_formula_units_Z 4
_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
Se 'Se' .4b .m-3m 0.5 0.5 0.5 1 6 'octahedron, Cd<sub>6</sub>'
Cd 'Cd' .4a .m-3m 0 0 0 1 6 'octahedron, Se<sub>6</sub>'
data_sm_isp_SD0458070-published_cell
#Cell Parameters
_cell_length_a 5.49
_cell_length_b 5.49
_cell_length_c 5.49
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 165.47
_symmetry_space_group_name_H-M 'Fm-3m'
_symmetry_Int_Tables_number 225
_cell_formula_units_Z 4
#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
Cd 'Cd' .4a .m-3m 0 0 0 1 ? ?
Se 'Se' .4b .m-3m 0.5 0.5 0.5 1 ? ?
data_sm_isp_SD0458070-niggli_reduced_cell
#Cell Parameters
_cell_length_a 3.882
_cell_length_b 3.882
_cell_length_c 3.882
_cell_angle_alpha 60
_cell_angle_beta 60
_cell_angle_gamma 60
_sm_length_ratio_ab 1.000
_sm_length_ratio_bc 1.000
_sm_length_ratio_ca 1.000
_cell_volume 41.37
_symmetry_space_group_name_H-M '?'
_symmetry_Int_Tables_number ?
_cell_formula_units_Z 4
#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
? ? ? ? ? ? ? ? ? ?
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