#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008641.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_1008641
_chemical_name_systematic          'Niobium iron silicide (2/12.9/4.1)'
_chemical_formula_structural       'Nd2 Fe12.91 Si4.09'
_chemical_formula_sum              'Fe12.91 Nd2 Si4.09'
_publ_section_title
;
A neutron diffraction and Moessbauer effect study of the Nd~2~Fe~17-
x~Si~x~ solid solutions
;
loop_
_publ_author_name
  'Long, G J'
  'Marasinghe, G K'
  'Mishra, S'
  'Pringle, O A'
  'Grandjean, F'
  'Buschow, K H J'
  'Middleton, D P'
  'Yelon, W B'
  'Pourarian, F'
  'Isnard, O'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    88
_journal_year                      1993
_journal_page_first                761
_journal_page_last                 764
_journal_issue                     10
_cell_length_a                     8.5325
_cell_length_b                     8.5325
_cell_length_c                     12.4554
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       785.3
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nd0    0.000
  Fe0    0.000
  Si0    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
  Nd1   Nd0    6 c 0. 0. 0.3419(3) 1.  0 d
  Fe1   Fe0    6 c 0. 0. 0.0961(2) 1.  0 d
  Fe2   Fe0    9 d 0.5 0. 0.5 0.848  0 d
  Fe3   Fe0   18 f 0.2918(2) 0. 0. 0.792  0 d
  Fe4   Fe0   18 f 0.5015(1) 0.4985(1) 0.1579(2) 0.602  0 d
  Si1   Si0    9 d 0.5 0. 0.5 0.152  0 d
  Si2   Si0   18 f 0.2918(2) 0. 0. 0.208  0 d
  Si3   Si0   18 f 0.5015(1) 0.4985(1) 0.1579(2) 0.398  0 d