The compound described by Mg2V2CoO8 crystallizes in the orthorhombic Cmce space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one Co(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Mg2V2CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.562
_cell_length_c   8.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   62.228
_symmetry_Int_Tables_number   1
_cell_volume   298.582
_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  0.385  0.730  0.750  1.0
  Mg  Mg1  1  0.115  0.270  0.250  1.0
  Mg  Mg2  1  0.615  0.270  0.250  1.0
  Mg  Mg3  1  0.885  0.730  0.750  1.0
  V  V4  1  0.880  0.241  0.620  1.0
  V  V5  1  0.120  0.759  0.380  1.0
  V  V6  1  0.620  0.759  0.120  1.0
  V  V7  1  0.380  0.241  0.880  1.0
  Co  Co8  1  0.500  0.000  0.500  1.0
  Co  Co9  1  1.000  0.000  0.000  1.0
  O  O10  1  0.347  0.766  0.500  1.0
  O  O11  1  0.113  0.234  0.500  1.0
  O  O12  1  0.613  0.234  1.000  1.0
  O  O13  1  0.847  0.766  0.000  1.0
  O  O14  1  0.653  0.234  0.500  1.0
  O  O15  1  0.887  0.766  0.500  1.0
  O  O16  1  0.387  0.766  0.000  1.0
  O  O17  1  0.153  0.234  1.000  1.0
  O  O18  1  0.751  0.498  0.727  1.0
  O  O19  1  0.249  0.502  0.273  1.0
  O  O20  1  0.749  0.502  0.227  1.0
  O  O21  1  0.251  0.498  0.773  1.0
  O  O22  1  0.503  0.994  0.746  1.0
  O  O23  1  0.497  0.006  0.254  1.0
  O  O24  1  0.997  0.006  0.246  1.0
  O  O25  1  0.003  0.994  0.754  1.0
[/CIF]
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The compound described by Mg2V2CoO8 crystallizes in the orthorhombic Cmce space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with four equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one Co(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Co(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Mg2V2CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.562
_cell_length_c   8.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   62.228
_symmetry_Int_Tables_number   1
_cell_volume   298.582
_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  0.385  0.730  0.750  1.0
  Mg  Mg1  1  0.115  0.270  0.250  1.0
  Mg  Mg2  1  0.615  0.270  0.250  1.0
  Mg  Mg3  1  0.885  0.730  0.750  1.0
  V  V4  1  0.880  0.241  0.620  1.0
  V  V5  1  0.120  0.759  0.380  1.0
  V  V6  1  0.620  0.759  0.120  1.0
  V  V7  1  0.380  0.241  0.880  1.0
  Co  Co8  1  0.500  0.000  0.500  1.0
  Co  Co9  1  1.000  0.000  0.000  1.0
  O  O10  1  0.347  0.766  0.500  1.0
  O  O11  1  0.113  0.234  0.500  1.0
  O  O12  1  0.613  0.234  1.000  1.0
  O  O13  1  0.847  0.766  0.000  1.0
  O  O14  1  0.653  0.234  0.500  1.0
  O  O15  1  0.887  0.766  0.500  1.0
  O  O16  1  0.387  0.766  0.000  1.0
  O  O17  1  0.153  0.234  1.000  1.0
  O  O18  1  0.751  0.498  0.727  1.0
  O  O19  1  0.249  0.502  0.273  1.0
  O  O20  1  0.749  0.502  0.227  1.0
  O  O21  1  0.251  0.498  0.773  1.0
  O  O22  1  0.503  0.994  0.746  1.0
  O  O23  1  0.497  0.006  0.254  1.0
  O  O24  1  0.997  0.006  0.246  1.0
  O  O25  1  0.003  0.994  0.754  1.0
[/CIF]
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