#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008991.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_1008991
_chemical_name_systematic          'Rhodium titanium arsenide (1/1/1)'
_chemical_formula_structural       'Rh Ti As'
_chemical_formula_sum              'As Rh Ti'
_publ_section_title
;
Analyse de l'ordre dans les arseniures MM'As
;
loop_
_publ_author_name
  'Roy-Montreuil, J'
  'Chadouet, P'
  'Rouault, A'
  'Boursier, D'
  'Senateur, J P'
  'Fruchart, R'
_journal_name_full                 'Annales de Chimie (Paris) (Vol=Year)'
_journal_coden_ASTM                ANCPAC
_journal_volume                    9
_journal_year                      1984
_journal_page_first                589
_journal_page_last                 586
_cell_length_a                     6.334(1)
_cell_length_b                     3.816(1)
_cell_length_c                     7.388(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       178.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Rh0    0.000
  Ti0    0.000
  As0    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
  Rh1   Rh0    4 c 0.855 0.25 0.064 1.  0 d
  Ti1   Ti0    4 c 0.972 0.25 0.684 1.  0 d
  As1   As0    4 c 0.243 0.25 0.122 1.  0 d