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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008921.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_1008921
_chemical_name_systematic          'Chromium selenide (3/4)'
_chemical_formula_structural       'Cr3 Se4'
_chemical_formula_sum              'Cr3 Se4'
_publ_section_title                'Etude de seleniures de chrome.'
loop_
_publ_author_name
  'Chevreton, M'
  'Bertaut, F'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    253
_journal_year                      1961
_journal_page_first                145
_journal_page_last                 147
_cell_length_a                     6.299(2)
_cell_length_b                     3.607(1)
_cell_length_c                     11.731(3)
_cell_angle_alpha                  90
_cell_angle_beta                   91.87
_cell_angle_gamma                  90
_cell_volume                       266.4
_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
  Cr0    0.000
  Se0    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
  Cr1   Cr0    2 d 0. 0. 0.5 1.  0 d
  Cr2   Cr0    4 i 0.022 0. 0.24 1.  0 d
  Se1   Se0    4 i 0.336 0. 0.866 1.  0 d
  Se2   Se0    4 i 0.329 0. 0.379 1.  0 d
_refine_ls_R_factor_all            0.09