#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008886.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_1008886
_chemical_name_systematic          'Yttrium iron germanide (1/6/6)'
_chemical_formula_structural       'Y Fe6 Ge6'
_chemical_formula_sum              'Fe6 Ge6 Y'
_publ_section_title
;
The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu,
Hf) studied by neutron diffraction and magnetic measurements
;
loop_
_publ_author_name
  'Schobinger-Papamantellos, P'
  'Buschow, K H J'
  'de=Boer, F R'
  'Ritter, C'
  'Isnard, O'
  'Fauth, F'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    267
_journal_year                      1998
_journal_page_first                59
_journal_page_last                 65
_cell_length_a                     8.11975(10)
_cell_length_b                     17.72995(3)
_cell_length_c                     5.11821(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       736.8
_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
  Y0     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
  Y1    Y0     4 c 0. 0.1292(8) 0.25 0.760(8)  0 d
  Y2    Y0     4 c 0. 0.1208(8) 0.25 0.240(8)  0 d
  Ge1   Ge0    4 c 0. 0.0373(5) 0.75 1.  0 d
  Ge2   Ge0    4 c 0.5 0.0373(5) 0.75 1.  0 d
  Ge3   Ge0    4 c 0. 0.2103(7) 0.75 1.  0 d
  Ge4   Ge0    4 c 0.5 0.2051(8) 0.75 1.  0 d
  Ge5   Ge0    8 g 0.3469(3) 0.1237(6) 0.25 0.760(8)  0 d
  Ge6   Ge0    8 g 0.8469(3) 0.1263(6) 0.25 0.240(8)  0 d
  Fe1   Fe0    8 d 0.25 0.25 0. 1.  0 d
  Fe2   Fe0    8 e 0.2517(5) 0. 0. 1.  0 d
  Fe3   Fe0    8 g 0.2511(5) 0.1261(6) 0.75 1.  0 d
_refine_ls_R_factor_all            0.044