#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008987.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_1008987
_chemical_name_systematic          'Manganese ruthenium arsenide (1/1/1)'
_chemical_formula_structural       'Mn Ru As'
_chemical_formula_sum              'As Mn Ru'
_publ_section_title
;
Influence de l'electronegativite sur l'apparition de l'ordre dans les
phases MM' P et MM' AS
;
loop_
_publ_author_name
  'Roy-Montreuil, J'
  'Deyris, B'
  'Michel, A'
  'Fruchart, R'
  'Senateur, J P'
  'Boursier, D'
_journal_name_full                 'Annales de Chimie (Paris) (Vol=Year)'
_journal_coden_ASTM                ANCPAC
_journal_volume                    4
_journal_year                      1979
_journal_page_first                411
_journal_page_last                 417
_cell_length_a                     6.5155(10)
_cell_length_b                     6.5155
_cell_length_c                     3.614(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       132.9
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P -6 2 m'
_symmetry_Int_Tables_number        189
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn0    0.000
  Ru0    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
  Mn1   Mn0    3 g 0.594 0. 0.5 1.  0 d
  Ru1   Ru0    3 f 0.257 0. 0. 1.  0 d
  As1   As0    1 b 0. 0. 0.5 1.  0 d
  As2   As0    2 c 0.3333 0.6667 0. 1.  0 d
_refine_ls_R_factor_all            0.053
_cod_database_code 1008987