The material described by MgVO3 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_MgVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.816
_cell_length_b   5.816
_cell_length_c   5.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.787
_symmetry_Int_Tables_number   1
_cell_volume   144.723
_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  0.174  0.826  0.000  1.0
  Mg  Mg1  1  0.826  0.174  0.000  1.0
  V  V2  1  0.675  0.325  0.500  1.0
  V  V3  1  0.325  0.675  0.500  1.0
  O  O4  1  0.000  0.500  0.271  1.0
  O  O5  1  0.500  0.000  0.729  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.271  1.0
  O  O8  1  0.000  0.500  0.729  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by MgVO3 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_MgVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.816
_cell_length_b   5.816
_cell_length_c   5.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   126.787
_symmetry_Int_Tables_number   1
_cell_volume   144.723
_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  0.174  0.826  0.000  1.0
  Mg  Mg1  1  0.826  0.174  0.000  1.0
  V  V2  1  0.675  0.325  0.500  1.0
  V  V3  1  0.325  0.675  0.500  1.0
  O  O4  1  0.000  0.500  0.271  1.0
  O  O5  1  0.500  0.000  0.729  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.271  1.0
  O  O8  1  0.000  0.500  0.729  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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