#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008080.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_1008080
_chemical_name_systematic          'Titanium germanium (6/5)'
_chemical_formula_structural       'Ti6 Ge5'
_chemical_formula_sum              'Ge5 Ti6'
_publ_section_title
;
Structure des phase binaires V~6~ Si~5~ et Ti~6~ Ge~5~
;
loop_
_publ_author_name
  'Spinat, P'
  'Fruchart, R'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    93
_journal_year                      1970
_journal_page_first                23
_journal_page_last                 36
_cell_length_a                     16.915
_cell_length_b                     7.954
_cell_length_c                     5.233
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       704.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I b a m'
_symmetry_Int_Tables_number        72
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ti0    0.000
  Ge0    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
  Ti1   Ti0    8 j 0.1413 0.1149 0. 1.  0 d
  Ti2   Ti0    8 j 0.4375 0.2424 0. 1.  0 d
  Ti3   Ti0    8 j 0.3086 0. 0.25 1.  0 d
  Ge1   Ge0    8 j 0.289 0.2993 0. 1.  0 d
  Ge2   Ge0    8 j 0.0679 0.4041 0. 1.  0 d
  Ge3   Ge0    4 a 0. 0. 0.25 1.  0 d
_refine_ls_R_factor_all            0.082
_cod_database_code 1008080