The material structure described by MgAuO2 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of edge, face, and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Au site, Au(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Au(1) atoms to form distorted OMg2Au2 tetrahedra that share corners with six equivalent O(1)Mg2Au2 tetrahedra, corners with four equivalent O(2)Mg4Au trigonal bipyramids,  an edgeedge with one O(1)Mg2Au2 tetrahedra, and edges with two equivalent O(2)Mg4Au trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Mg(1) and one Au(2) atom to form distorted OMg4Au trigonal bipyramids that share corners with four equivalent O(1)Mg2Au2 tetrahedra, corners with five equivalent O(2)Mg4Au trigonal bipyramids, edges with two equivalent O(1)Mg2Au2 tetrahedra, and edges with four equivalent O(2)Mg4Au trigonal bipyramids. is represented by the CIF card [CIF]
data_MgAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   6.350
_cell_length_c   3.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.174
_symmetry_Int_Tables_number   1
_cell_volume   100.334
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.119  0.881  0.500  1.0
  O  O5  1  0.312  0.688  0.000  1.0
  O  O6  1  0.881  0.119  0.500  1.0
  O  O7  1  0.688  0.312  0.000  1.0
[/CIF]
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The material structure described by MgAuO2 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of edge, face, and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Au site, Au(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Au(1) atoms to form distorted OMg2Au2 tetrahedra that share corners with six equivalent O(1)Mg2Au2 tetrahedra, corners with four equivalent O(2)Mg4Au trigonal bipyramids,  an edgeedge with one O(1)Mg2Au2 tetrahedra, and edges with two equivalent O(2)Mg4Au trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Mg(1) and one Au(2) atom to form distorted OMg4Au trigonal bipyramids that share corners with four equivalent O(1)Mg2Au2 tetrahedra, corners with five equivalent O(2)Mg4Au trigonal bipyramids, edges with two equivalent O(1)Mg2Au2 tetrahedra, and edges with four equivalent O(2)Mg4Au trigonal bipyramids. is represented by the CIF card [CIF]
data_MgAuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   6.350
_cell_length_c   3.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.174
_symmetry_Int_Tables_number   1
_cell_volume   100.334
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.119  0.881  0.500  1.0
  O  O5  1  0.312  0.688  0.000  1.0
  O  O6  1  0.881  0.119  0.500  1.0
  O  O7  1  0.688  0.312  0.000  1.0
[/CIF]
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