#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002762.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_2002762
_chemical_name_systematic          'Tantalum germanide boride (5/3/0.7)'
_chemical_formula_structural       'Ta5 Ge3 B0.7'
_chemical_formula_sum              'B.7 Ge3 Ta5'
_publ_section_title
;
Mit Bor besetzte kondensierte Cluster in Ta5 Ge3 By (y=0.7)
;
loop_
_publ_author_name
  'Peters, E'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    51
_journal_year                      1996
_journal_page_first                481
_journal_page_last                 484
_cell_length_a                     7.6277(6)
_cell_length_b                     7.6277(6)
_cell_length_c                     5.2781(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       265.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m c m'
_symmetry_Int_Tables_number        193
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  'y,x,1/2-z'
  'x-y,-y,1/2-z'
  '-x,y-x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ta0    0.000
  Ge0    0.000
  B0     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    6 g 0.2424(1) 0. 0.25 1.  0 d
  Ta2   Ta0    4 d 0.3333 0.6667 0. 1.  0 d
  Ge1   Ge0    6 g 0.6002(2) 0. 0.25 1.  0 d
  B1    B0     2 b 0. 0. 0. 0.7  0 d
_refine_ls_R_factor_all            0.0335