#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/85/1008551.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_1008551
_chemical_name_systematic
;
Neodymium iron molybdenum nitride (1/10.5/1.5/0.8)
;
_chemical_formula_structural       'Nd Fe10.48 Mo1.52 N0.8'
_chemical_formula_sum            'Fe10.48 Mo1.52 N0.8 Nd'
_[local]_cod_chemical_formula_sum_orig 'Fe10.48 Mo1.52 N.8 Nd'
_publ_section_title
;
Modulation of spin reorientation transitions in the series
R(Fe,M)~12~X~y~ (R=Y,Nd,Ho;M=Mo,Ti;X=N,H)
;
loop_
_publ_author_name
  'Tomey, E'
  'Isnard, O'
  'Fagan, A'
  'Desmoulins, C'
  'Miraglia, S'
  'Soubeyroux, J L'
  'Fruchart, D'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_coden_ASTM                JALCEU
_journal_volume                    191
_journal_year                      1993
_journal_page_first                233
_journal_page_last                 238
_cell_length_a                     8.646(1)
_cell_length_b                     8.646(1)
_cell_length_c                     4.8519(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       362.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-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-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,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+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nd0    0.000
  N0     0.000
  Fe0    0.000
  Mo0    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    2 a 0. 0. 0. 1.  0 d
  N1    N0     2 b 0. 0. 0.5 0.8(2)  0 d
  Fe1   Fe0    8 f 0.25 0.25 0.25 1.  0 d
  Fe2   Fe0    8 i 0.3628(9) 0. 0. 0.62(3)  0 d
  Mo1   Mo0    8 i 0.3628(9) 0. 0. 0.38(3)  0 d
  Fe3   Fe0    8 j 0.2766(9) 0.5 0. 1.  0 d
_refine_ls_R_factor_all            0.021
_cod_database_code 1008551