#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008086.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_1008086
_chemical_name_systematic          'Magnesium chromate - $-beta'
_chemical_formula_structural       'MG CR O4'
_chemical_formula_sum              'Cr Mg O4'
_publ_section_title
;
X-ray diffraction study of the chromates of nickel, magnesium and
cadmium
;
loop_
_publ_author_name
  'Muller, O'
  'White, W B'
  'Roy, R'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    130
_journal_year                      1969
_journal_page_first                112
_journal_page_last                 120
_cell_length_a                     9.95
_cell_length_b                     9.16
_cell_length_c                     6.759
_cell_angle_alpha                  90
_cell_angle_beta                   103.68
_cell_angle_gamma                  90
_cell_volume                       598.6
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 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,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  Cr6+   6.000
  O2-   -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
  Mg1   Mg2+   4 h 0. 0.185(10) 0.5 1.  0 d
  Mg2   Mg2+   4 i 0.793(10) 0. 0.114(10) 1.  0 d
  Cr1   Cr6+   4 g 0. 0.256(10) 0. 1.  0 d
  Cr2   Cr6+   4 i 0.269(10) 0. 0.394(10) 1.  0 d
  O1    O2-    4 i 0.35(6) 0.5 0.46(6) 1.  0 d
  O2    O2-    4 i 0.17(6) 0. 0.19(6) 1.  0 d
  O3    O2-    8 j 0.13(3) 0.35(3) 0.11(3) 1.  0 d
  O4    O2-    8 j 0.46(3) 0.34(3) 0.17(3) 1.  0 d
  O5    O2-    8 j 0.37(3) 0.13(3) 0.48(3) 1.  0 d
_refine_ls_R_factor_all            0.157