The compound described by Mg1VO2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner, face, and edge-sharing OMg3V3 octahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of distorted corner, face, and edge-sharing OMg3V3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_MgVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.594
_cell_angle_alpha   31.436
_cell_angle_beta   31.436
_cell_angle_gamma   31.436
_symmetry_Int_Tables_number   1
_cell_volume   42.273
_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
  Mg  Mg0  1  0.169  0.169  0.169  1.0
  V  V1  1  0.999  0.999  0.999  1.0
  O  O2  1  0.581  0.581  0.581  1.0
  O  O3  1  0.417  0.417  0.417  1.0
[/CIF]
.
The compound described by Mg1VO2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner, face, and edge-sharing OMg3V3 octahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of distorted corner, face, and edge-sharing OMg3V3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_MgVO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.594
_cell_angle_alpha   31.436
_cell_angle_beta   31.436
_cell_angle_gamma   31.436
_symmetry_Int_Tables_number   1
_cell_volume   42.273
_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
  Mg  Mg0  1  0.169  0.169  0.169  1.0
  V  V1  1  0.999  0.999  0.999  1.0
  O  O2  1  0.581  0.581  0.581  1.0
  O  O3  1  0.417  0.417  0.417  1.0
[/CIF]
.