The structure described by Cr3AuO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-42°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CrO6 octahedra. Au(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_Cr3AuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   5.219
_cell_length_c   8.355
_cell_angle_alpha   80.490
_cell_angle_beta   80.495
_cell_angle_gamma   63.867
_symmetry_Int_Tables_number   1
_cell_volume   200.404
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.679  0.680  0.304  1.0
  Cr  Cr1  1  0.320  0.320  0.696  1.0
  Cr  Cr2  1  1.000  1.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.319  0.816  0.330  1.0
  O  O5  1  0.681  0.184  0.670  1.0
  O  O6  1  0.794  0.794  0.439  1.0
  O  O7  1  0.184  0.681  0.670  1.0
  O  O8  1  0.206  0.206  0.561  1.0
  O  O9  1  0.220  0.220  0.887  1.0
  O  O10  1  0.816  0.319  0.330  1.0
  O  O11  1  0.780  0.781  0.113  1.0
[/CIF]
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The structure described by Cr3AuO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing CrO4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-42°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CrO6 octahedra. Au(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Au(1) atom. is represented by the CIF file [CIF]
data_Cr3AuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   5.219
_cell_length_c   8.355
_cell_angle_alpha   80.490
_cell_angle_beta   80.495
_cell_angle_gamma   63.867
_symmetry_Int_Tables_number   1
_cell_volume   200.404
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.679  0.680  0.304  1.0
  Cr  Cr1  1  0.320  0.320  0.696  1.0
  Cr  Cr2  1  1.000  1.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.319  0.816  0.330  1.0
  O  O5  1  0.681  0.184  0.670  1.0
  O  O6  1  0.794  0.794  0.439  1.0
  O  O7  1  0.184  0.681  0.670  1.0
  O  O8  1  0.206  0.206  0.561  1.0
  O  O9  1  0.220  0.220  0.887  1.0
  O  O10  1  0.816  0.319  0.330  1.0
  O  O11  1  0.780  0.781  0.113  1.0
[/CIF]
.