The crystal structure described by MgV5CoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one V(5)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-58°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(5), and one Co(1) atom to form a mixture of edge and corner-sharing OMgV2Co tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one V(5), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMgV2Co tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.860
_cell_length_b   6.917
_cell_length_c   5.733
_cell_angle_alpha   73.690
_cell_angle_beta   105.782
_cell_angle_gamma   101.943
_symmetry_Int_Tables_number   1
_cell_volume   248.729
_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  0.296  0.287  0.255  1.0
  V  V1  1  0.182  0.617  0.712  1.0
  V  V2  1  0.385  0.827  0.180  1.0
  V  V3  1  0.627  0.185  0.793  1.0
  V  V4  1  0.835  0.392  0.318  1.0
  V  V5  1  0.923  0.929  0.254  1.0
  Co  Co6  1  0.087  0.085  0.754  1.0
  O  O7  1  0.041  0.820  0.626  1.0
  O  O8  1  0.013  0.391  0.686  1.0
  O  O9  1  0.200  0.022  0.145  1.0
  O  O10  1  0.341  0.651  0.517  1.0
  O  O11  1  0.393  0.032  0.806  1.0
  O  O12  1  0.308  0.577  0.037  1.0
  O  O13  1  0.668  0.341  0.994  1.0
  O  O14  1  0.655  0.916  0.283  1.0
  O  O15  1  0.591  0.312  0.463  1.0
  O  O16  1  0.816  0.030  0.869  1.0
  O  O17  1  0.907  0.645  0.213  1.0
  O  O18  1  0.020  0.210  0.356  1.0
[/CIF]
.
The crystal structure described by MgV5CoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one V(5)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-58°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 68°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. Co(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(5), and one Co(1) atom to form a mixture of edge and corner-sharing OMgV2Co tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(5), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one V(5), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OMgV2Co tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.860
_cell_length_b   6.917
_cell_length_c   5.733
_cell_angle_alpha   73.690
_cell_angle_beta   105.782
_cell_angle_gamma   101.943
_symmetry_Int_Tables_number   1
_cell_volume   248.729
_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  0.296  0.287  0.255  1.0
  V  V1  1  0.182  0.617  0.712  1.0
  V  V2  1  0.385  0.827  0.180  1.0
  V  V3  1  0.627  0.185  0.793  1.0
  V  V4  1  0.835  0.392  0.318  1.0
  V  V5  1  0.923  0.929  0.254  1.0
  Co  Co6  1  0.087  0.085  0.754  1.0
  O  O7  1  0.041  0.820  0.626  1.0
  O  O8  1  0.013  0.391  0.686  1.0
  O  O9  1  0.200  0.022  0.145  1.0
  O  O10  1  0.341  0.651  0.517  1.0
  O  O11  1  0.393  0.032  0.806  1.0
  O  O12  1  0.308  0.577  0.037  1.0
  O  O13  1  0.668  0.341  0.994  1.0
  O  O14  1  0.655  0.916  0.283  1.0
  O  O15  1  0.591  0.312  0.463  1.0
  O  O16  1  0.816  0.030  0.869  1.0
  O  O17  1  0.907  0.645  0.213  1.0
  O  O18  1  0.020  0.210  0.356  1.0
[/CIF]
.