#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$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
_chemical_name_systematic          'Tantalum iron telluride (1/1.3/3)'
_chemical_formula_structural       'Ta Fe1.25 Te3'
_chemical_formula_sum              'Fe1.25 Ta Te3'
_publ_section_title
;
Characterization of TaFe~1.25~Te~3~, a new layered telluride with an
unusual metal network structure
;
loop_
_publ_author_name
  'Badding, M E'
  'Li, J'
  'DiSalvo, F J'
  'Zhou, W'
  'Edwards, P P'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    100
_journal_year                      1992
_journal_page_first                313
_journal_page_last                 324
_cell_length_a                     7.436(1)
_cell_length_b                     3.638(1)
_cell_length_c                     10.008(1)
_cell_angle_alpha                  90
_cell_angle_beta                   109.17(1)
_cell_angle_gamma                  90
_cell_volume                       255.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/m 1'
_symmetry_Int_Tables_number        11
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
  'x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ta0    0.000
  Fe0    0.000
  Te0    0.000
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
_refine_ls_R_factor_all            0.021
_cod_database_code 1005007