The material described by MgV3FeO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-18°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-25°. In the third V site, V(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-28°. Fe(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded to one V(1), one V(2), and two equivalent Fe(1) atoms to form OV2Fe2 trigonal pyramids that share corners with two equivalent O(2)V2Fe2 trigonal pyramids and edges with two equivalent O(7)MgV3Fe square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(3), two equivalent V(1), and one Fe(1) atom to form distorted OMgV3Fe square pyramids that share corners with two equivalent O(7)MgV3Fe square pyramids and edges with two equivalent O(2)V2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_MgV3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   6.778
_cell_angle_alpha   74.985
_cell_angle_beta   105.015
_cell_angle_gamma   144.654
_symmetry_Int_Tables_number   1
_cell_volume   157.549
_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  0.822  0.178  0.990  1.0
  V  V1  1  0.289  0.711  0.663  1.0
  V  V2  1  0.402  0.598  0.311  1.0
  V  V3  1  0.600  0.400  0.699  1.0
  Fe  Fe4  1  0.692  0.308  0.279  1.0
  O  O5  1  0.136  0.864  0.680  1.0
  O  O6  1  0.239  0.761  0.357  1.0
  O  O7  1  0.358  0.642  0.009  1.0
  O  O8  1  0.432  0.568  0.636  1.0
  O  O9  1  0.552  0.448  0.372  1.0
  O  O10  1  0.655  0.345  0.997  1.0
  O  O11  1  0.770  0.230  0.682  1.0
  O  O12  1  0.866  0.134  0.294  1.0
[/CIF]
.
The material described by MgV3FeO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-18°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-25°. In the third V site, V(3) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-28°. Fe(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded to one V(1), one V(2), and two equivalent Fe(1) atoms to form OV2Fe2 trigonal pyramids that share corners with two equivalent O(2)V2Fe2 trigonal pyramids and edges with two equivalent O(7)MgV3Fe square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(3), two equivalent V(1), and one Fe(1) atom to form distorted OMgV3Fe square pyramids that share corners with two equivalent O(7)MgV3Fe square pyramids and edges with two equivalent O(2)V2Fe2 trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent V(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_MgV3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   6.778
_cell_angle_alpha   74.985
_cell_angle_beta   105.015
_cell_angle_gamma   144.654
_symmetry_Int_Tables_number   1
_cell_volume   157.549
_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  0.822  0.178  0.990  1.0
  V  V1  1  0.289  0.711  0.663  1.0
  V  V2  1  0.402  0.598  0.311  1.0
  V  V3  1  0.600  0.400  0.699  1.0
  Fe  Fe4  1  0.692  0.308  0.279  1.0
  O  O5  1  0.136  0.864  0.680  1.0
  O  O6  1  0.239  0.761  0.357  1.0
  O  O7  1  0.358  0.642  0.009  1.0
  O  O8  1  0.432  0.568  0.636  1.0
  O  O9  1  0.552  0.448  0.372  1.0
  O  O10  1  0.655  0.345  0.997  1.0
  O  O11  1  0.770  0.230  0.682  1.0
  O  O12  1  0.866  0.134  0.294  1.0
[/CIF]
.