The material described by MgV5FeO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom. There are five inequivalent V sites. In the first V site, V(1) 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(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O6 octahedra. In the second V site, V(2) 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(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and  a cornercorner with one V(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-59°. In the fourth V site, V(4) 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(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-64°. In the fifth V site, V(5) 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(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(5)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one V(5), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted 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 bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(4) and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(4), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(5), and one Fe(1) atom. is represented by the CIF file [CIF]
data_MgV5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.898
_cell_length_b   7.206
_cell_length_c   5.702
_cell_angle_alpha   73.890
_cell_angle_beta   109.628
_cell_angle_gamma   100.591
_symmetry_Int_Tables_number   1
_cell_volume   255.159
_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  0.742  0.717  0.787  1.0
  V  V1  1  0.912  0.915  0.246  1.0
  V  V2  1  0.183  0.601  0.767  1.0
  V  V3  1  0.375  0.795  0.284  1.0
  V  V4  1  0.627  0.215  0.732  1.0
  V  V5  1  0.847  0.390  0.289  1.0
  Fe  Fe6  1  0.089  0.086  0.742  1.0
  O  O7  1  0.998  0.784  0.645  1.0
  O  O8  1  0.059  0.393  0.663  1.0
  O  O9  1  0.198  0.966  0.152  1.0
  O  O10  1  0.408  0.694  0.621  1.0
  O  O11  1  0.393  0.115  0.755  1.0
  O  O12  1  0.298  0.612  0.106  1.0
  O  O13  1  0.715  0.406  0.895  1.0
  O  O14  1  0.623  0.880  0.297  1.0
  O  O15  1  0.608  0.314  0.411  1.0
  O  O16  1  0.795  0.018  0.850  1.0
  O  O17  1  0.882  0.664  0.168  1.0
  O  O18  1  0.968  0.157  0.351  1.0
[/CIF]
.
The material described by MgV5FeO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom. There are five inequivalent V sites. In the first V site, V(1) 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(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O5 trigonal bipyramids, and edges with two equivalent Fe(1)O6 octahedra. In the second V site, V(2) 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(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and  a cornercorner with one V(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-59°. In the fourth V site, V(4) 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(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-64°. In the fifth V site, V(5) 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(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(5)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one V(5), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted 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 bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(4) and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(4), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(5), and one Fe(1) atom. is represented by the CIF file [CIF]
data_MgV5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.898
_cell_length_b   7.206
_cell_length_c   5.702
_cell_angle_alpha   73.890
_cell_angle_beta   109.628
_cell_angle_gamma   100.591
_symmetry_Int_Tables_number   1
_cell_volume   255.159
_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  0.742  0.717  0.787  1.0
  V  V1  1  0.912  0.915  0.246  1.0
  V  V2  1  0.183  0.601  0.767  1.0
  V  V3  1  0.375  0.795  0.284  1.0
  V  V4  1  0.627  0.215  0.732  1.0
  V  V5  1  0.847  0.390  0.289  1.0
  Fe  Fe6  1  0.089  0.086  0.742  1.0
  O  O7  1  0.998  0.784  0.645  1.0
  O  O8  1  0.059  0.393  0.663  1.0
  O  O9  1  0.198  0.966  0.152  1.0
  O  O10  1  0.408  0.694  0.621  1.0
  O  O11  1  0.393  0.115  0.755  1.0
  O  O12  1  0.298  0.612  0.106  1.0
  O  O13  1  0.715  0.406  0.895  1.0
  O  O14  1  0.623  0.880  0.297  1.0
  O  O15  1  0.608  0.314  0.411  1.0
  O  O16  1  0.795  0.018  0.850  1.0
  O  O17  1  0.882  0.664  0.168  1.0
  O  O18  1  0.968  0.157  0.351  1.0
[/CIF]
.