#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008058.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_1008058
_chemical_name_systematic          'Nickel dirhodium(III) selenide'
_chemical_formula_structural       'Ni Rh2 Se4'
_chemical_formula_sum              'Ni Rh2 Se4'
_publ_section_title
;
The crystal structure and transport properties of Ni Rh~2~ Se~4~
;
loop_
_publ_author_name                  'Bouchard, R J'
_journal_name_full                 'Inorganic Chemistry'
_journal_coden_ASTM                INOCAJ
_journal_volume                    8
_journal_year                      1969
_journal_page_first                850
_journal_page_last                 856
_cell_length_a                     6.2821(7)
_cell_length_b                     3.6491(4)
_cell_length_c                     10.844(1)
_cell_angle_alpha                  90
_cell_angle_beta                   92.24(1)
_cell_angle_gamma                  90
_cell_volume                       248.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,-y,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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  Rh3+   3.000
  Se2-  -2.000
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
  Ni1   Ni2+   2 a 0. 0. 0. 1.  0 d
  Rh1   Rh3+   4 i -0.022(2) 0. 0.266(1) 1.  0 d
  Se1   Se2-   4 i 0.347(3) 0. 0.366(2) 1.  0 d
  Se2   Se2-   4 i 0.337(4) 0. 0.882(1) 1.  0 d
_refine_ls_R_factor_all            0.053
_cod_database_code 1008058