The compound described by MgV3CoO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   6.960
_cell_length_c   5.371
_cell_angle_alpha   91.242
_cell_angle_beta   91.213
_cell_angle_gamma   92.071
_symmetry_Int_Tables_number   1
_cell_volume   207.875
_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  0.574  0.873  0.997  1.0
  V  V1  1  0.067  0.128  0.029  1.0
  V  V2  1  0.422  0.622  0.487  1.0
  V  V3  1  0.578  0.364  0.977  1.0
  Co  Co4  1  0.926  0.882  0.514  1.0
  O  O5  1  0.041  0.104  0.349  1.0
  O  O6  1  0.129  0.670  0.436  1.0
  O  O7  1  0.398  0.117  0.947  1.0
  O  O8  1  0.490  0.612  0.820  1.0
  O  O9  1  0.492  0.418  0.322  1.0
  O  O10  1  0.597  0.814  0.361  1.0
  O  O11  1  0.902  0.336  0.930  1.0
  O  O12  1  0.897  0.928  0.870  1.0
[/CIF]
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The compound described by MgV3CoO8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. Co(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent V(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one Co(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Co(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.567
_cell_length_b   6.960
_cell_length_c   5.371
_cell_angle_alpha   91.242
_cell_angle_beta   91.213
_cell_angle_gamma   92.071
_symmetry_Int_Tables_number   1
_cell_volume   207.875
_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  0.574  0.873  0.997  1.0
  V  V1  1  0.067  0.128  0.029  1.0
  V  V2  1  0.422  0.622  0.487  1.0
  V  V3  1  0.578  0.364  0.977  1.0
  Co  Co4  1  0.926  0.882  0.514  1.0
  O  O5  1  0.041  0.104  0.349  1.0
  O  O6  1  0.129  0.670  0.436  1.0
  O  O7  1  0.398  0.117  0.947  1.0
  O  O8  1  0.490  0.612  0.820  1.0
  O  O9  1  0.492  0.418  0.322  1.0
  O  O10  1  0.597  0.814  0.361  1.0
  O  O11  1  0.902  0.336  0.930  1.0
  O  O12  1  0.897  0.928  0.870  1.0
[/CIF]
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