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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1006168.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_1006168
_chemical_name_systematic          'Terbium hexairon hexagermanide'
_chemical_formula_structural       'Tb Fe6 Ge6'
_chemical_formula_sum              'Fe6 Ge6 Tb'
_publ_section_title
;
Influence of thermal history on crystal structure, microstructure and
magnetic properties of Tb Fe6 Ge6 (II)
;
loop_
_publ_author_name
  'Zaharko, O'
  'Schobinger-Papamantellos, P'
  'Ritter, C'
  'Rodriguez-Carvajal, J'
  'Buschow, K H J'
_journal_name_full                 'Journal of Magnetism and Magnetic Materials'
_journal_coden_ASTM                JMMMDC
_journal_volume                    187
_journal_year                      1998
_journal_page_first                293
_journal_page_last                 308
_cell_length_a                     8.1292(1)
_cell_length_b                     17.73227(3)
_cell_length_c                     5.11886(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       737.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_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,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'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tb0    0.000
  Ge0    0.000
  Fe0    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
  Tb1   Tb0    4 c 0. 0.122(1) 0.25 0.830(6)  0 d
  Tb2   Tb0    4 c 0.5 0.128(1) 0.25 0.170(6)  0 d
  Ge1   Ge0    4 c 0. 0.0376(9) 0.75 1.  0 d
  Ge2   Ge0    4 c 0.5 0.0433(8) 0.75 1.  0 d
  Ge3   Ge0    4 c 0. 0.213(1) 0.75 1.  0 d
  Ge4   Ge0    4 c 0.5 0.2045(9) 0.75 1.  0 d
  Ge5   Ge0    8 g 0.3477(2) 0.1252(6) 0.25 0.830(6)  0 d
  Ge6   Ge0    8 g 0.8477(2) 0.1248(6) 0.25 0.170(6)  0 d
  Fe1   Fe0    8 d 0.25 0.25 0. 1.  0 d
  Fe2   Fe0    8 e 0.2508(5) 0. 0. 1.  0 d
  Fe3   Fe0    8 g 0.2508(5) 0.1240(6) 0.75 1.  0 d
_refine_ls_R_factor_all            0.023
_cod_database_code 1006168