data_1008887
_chemical_name_systematic          'Lutetium iron germanide (1/6/6)'
_chemical_formula_structural       'Lu Fe6 Ge6'
_chemical_formula_sum              'Fe6 Ge6 Lu'
_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                     5.09843(4)
_cell_length_b                     5.09843(4)
_cell_length_c                     8.08066(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       181.9
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 6/m m m'
_symmetry_Int_Tables_number        191
_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,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Lu0    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
  Lu1   Lu0    1 a 0. 0. 0. 0.720(2)  0 d
  Lu2   Lu0    1 b 0. 0. 0.5 0.280(2)  0 d
  Ge1   Ge0    2 d 0.3333 0.6667 0.5 1.  0 d
  Ge2   Ge0    2 c 0.3333 0.6667 0. 1.  0 d
  Ge3   Ge0    2 e 0. 0. 0.3462(3) 0.720(2)  0 d
  Ge4   Ge0    2 e 0. 0. 0.8462(3) 0.280(2)  0 d
  Fe1   Fe0    6 i 0.5 0. 0.2506(3) 1.  0 d
_refine_ls_R_factor_all            0.048