PF_sd_1011081.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 SD1011081
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
"Zr0.2Nb0.8 (Zr0.5Nb0.5 ht) Crystal Structure"
taken from SpringerMaterials (sm_isp_sd_1011081).
;

_publ_section_references
;Svechnikov V.N., Spektor A.T.: <i>Phase diagram of the Zr-Mo-Nb system in the solid state (up to 1800 &#x00b0;C)</i>. Russian Metallurgy (translated from Izvestiya Akademii Nauk SSSR, Metally) <b>4</b> (1968) 118-121.
;

#Phase classification
_sm_phase_labels				'Zr0.5Nb0.5 ht'
_chemical_name_mineral			''
_sm_chemical_compound_class		'intermetallic'
_sm_phase_prototype				'W'
_sm_pearson_symbol				'cI2'
_symmetry_Int_Tables_number		229
_sm_sample_details
;powder (determination of cell parameters)
;
_sm_measurement_details
;X-rays (determination of cell parameters)
;
_sm_interpretation_details
;cell parameters determined and type with fixed coordinates assigned
;

data_sm_isp_SD1011081-standardized_unitcell
#Cell Parameters
_cell_length_a					3.363
_cell_length_b					3.363
_cell_length_c					3.363
_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 					38
_symmetry_space_group_name_H-M	'Im-3m'
_symmetry_Int_Tables_number		229
_cell_formula_units_Z			2
_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
Nb,Zr '0.8Nb + 0.2Zr' .2a .m-3m 0 0 0 1 14 'rhombic dodecahedron, Nb<sub>14</sub>'

_sm_atom_site_transformation
;No transformation from published to standardized cell parameters necessary.
;

data_sm_isp_SD1011081-published_cell
#Cell Parameters
_cell_length_a					3.363
_cell_length_b					3.363
_cell_length_c					3.363
_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 					38.03
_symmetry_space_group_name_H-M	'Im-3m'
_symmetry_Int_Tables_number		229
_cell_formula_units_Z			2

#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
Nb,Zr '0.8Nb + 0.2Zr' .2a .m-3m 0 0 0 1 ? '?'

data_sm_isp_SD1011081-niggli_reduced_cell
#Cell Parameters
_cell_length_a					2.9124
_cell_length_b					2.9124
_cell_length_c					2.9124
_cell_angle_alpha				109.471
_cell_angle_beta				109.471
_cell_angle_gamma				109.471
_sm_length_ratio_ab				1.000
_sm_length_ratio_bc				1.000
_sm_length_ratio_ca				1.000
_cell_volume 					19.02
_symmetry_space_group_name_H-M	''
_symmetry_Int_Tables_number		?
_cell_formula_units_Z			2

#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
? ? ? ? ? ? ? ? ? ?