#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1006126.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_1006126
_chemical_name_systematic          'Erbium iron germanide (1/6/6)'
_chemical_formula_structural       'Er Fe6 Ge6'
_chemical_formula_sum              'Er Fe6 Ge6'
_publ_section_title
;
Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray,
neutron diffraction and magnetic measurements
;
loop_
_publ_author_name
  'Oleksyn, O'
  'Schobinger-Papamantellos, P'
  'Rodriguez-Carvajal, J'
  'Brueck, E'
  'Buschow, K H J'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    257
_journal_year                      1997
_journal_page_first                36
_journal_page_last                 45
_cell_length_a                     8.0991(1)
_cell_length_b                     26.5293(9)
_cell_length_c                     5.10721(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1097.4
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'I m m m'
_symmetry_Int_Tables_number        71
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,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,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,1/2+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
  Er0    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
  Er1   Er0    2 a 0. 0. 0. 0.640(8)  0 d
  Er2   Er0    4 h 0. 0.1677(4) 0.5 0.600(8)  0 d
  Er3   Er0    2 b 0.5 0. 0. 0.360(8)  0 d
  Er4   Er0    4 g 0.5 0.1677(4) 0.5 0.400(8)  0 d
  Ge1   Ge0    4 e 0.3592(6) 0. 0. 0.776(16)  0 d
  Ge2   Ge0    8 n 0.3592(6) 0.1677(4) 0.5 0.732(12)  0 d
  Ge3   Ge0    4 e 0.815(2) 0. 0. 0.184(16)  0 d
  Ge4   Ge0    8 n 0.815(2) 0.1677(4) 0.5 0.268(12)  0 d
  Ge5   Ge0    4 h 0. 0.0570(5) 0.5 1.  0 d
  Ge6   Ge0    4 g 0.5 0.0570(5) 0.5 1.  0 d
  Ge7   Ge0    4 g 0. 0.114(1) 0. 1.  0 d
  Ge8   Ge0    4 h 0.5 0.114(1) 0. 1.  0 d
  Ge9   Ge0    4 g 0. 0.228(2) 0. 1.  0 d
  Ge10  Ge0    4 h 0.5 0.228(2) 0. 1.  0 d
  Fe1   Fe0    4 f 0.2557(9) 0. 0.5 1.  0 d
  Fe2   Fe0    8 k 0.25 0.25 0.25 1.  0 d
  Fe3   Fe0    8 n 0.2557(9) 0.3320(28) 0.5 1.  0 d
  Fe4   Fe0   16 o 0.2557(9) 0.0830(7) 0.251(4) 1.  0 d
_refine_ls_R_factor_all            0.064
_cod_database_code 1006126