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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/50/1005007.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1005007
loop_
_publ_author_name
'Badding, M E'
'Li, J'
'DiSalvo, F J'
'Zhou, W'
'Edwards, P P'
_publ_section_title
;
Characterization of TaFe~1.25~Te₃, a new layered telluride with an
unusual metal network structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              313
_journal_page_last               324
_journal_paper_doi               10.1016/0022-4596(92)90106-6
_journal_volume                  100
_journal_year                    1992
_chemical_formula_structural     'Ta Fe1.25 Te3'
_chemical_formula_sum            'Fe1.25 Ta Te3'
_chemical_name_systematic        'Tantalum iron telluride (1/1.3/3)'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.17(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.436(1)
_cell_length_b                   3.638(1)
_cell_length_c                   10.008(1)
_cell_volume                     255.7
_refine_ls_R_factor_all          0.021
_cod_database_code               1005007
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ta1 Ta0 2 e 0.8340(1) 0.25 0.3007(1) 1. 0 d
Fe1 Fe0 2 e 0.6147(2) 0.75 0.0890(1) 1. 0 d
Fe2 Fe0 2 e 0.7686(11) 0.25 -0.0047(7) 0.25 0 d
Te1 Te0 2 e 0.4392(1) 0.25 0.1860(1) 1. 0 d
Te2 Te0 2 e 0.9835(1) 0.75 0.1589(1) 1. 0 d
Te3 Te0 2 e 0.2179(1) 0.25 0.4970(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ta0 0.000
Fe0 0.000
Te0 0.000
