The material structure described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(3) atom. There are four 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 Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-49°. 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 Mn(1)O6 octahedra and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. Mn(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 distorted MnO6 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)O4 tetrahedra, and corners with two equivalent V(4)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Mn(1) atom. 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 single-bond geometry to one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 Mn(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(4) and one Mn(1) atom. is represented by the CIF card [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.043
_cell_length_b   6.883
_cell_length_c   6.098
_cell_angle_alpha   72.102
_cell_angle_beta   106.516
_cell_angle_gamma   99.304
_symmetry_Int_Tables_number   1
_cell_volume   268.798
_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  0.992  0.876  0.882  1.0
  Mn  Mn1  1  0.915  0.927  0.285  1.0
  V  V2  1  0.222  0.588  0.768  1.0
  V  V3  1  0.390  0.777  0.268  1.0
  V  V4  1  0.612  0.211  0.740  1.0
  V  V5  1  0.779  0.400  0.222  1.0
  O  O6  1  0.036  0.766  0.644  1.0
  O  O7  1  0.111  0.360  0.812  1.0
  O  O8  1  0.202  0.939  0.162  1.0
  O  O9  1  0.362  0.618  0.552  1.0
  O  O10  1  0.397  0.080  0.697  1.0
  O  O11  1  0.352  0.635  0.053  1.0
  O  O12  1  0.620  0.354  0.952  1.0
  O  O13  1  0.618  0.901  0.309  1.0
  O  O14  1  0.656  0.367  0.454  1.0
  O  O15  1  0.795  0.041  0.885  1.0
  O  O16  1  0.891  0.647  0.148  1.0
  O  O17  1  0.949  0.227  0.320  1.0
[/CIF]
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The material structure described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(3) atom. There are four 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 Mn(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-49°. 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 Mn(1)O6 octahedra and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. Mn(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 distorted MnO6 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)O4 tetrahedra, and corners with two equivalent V(4)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Mn(1) atom. 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 single-bond geometry to one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 Mn(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one V(4), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(4) and one Mn(1) atom. is represented by the CIF card [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.043
_cell_length_b   6.883
_cell_length_c   6.098
_cell_angle_alpha   72.102
_cell_angle_beta   106.516
_cell_angle_gamma   99.304
_symmetry_Int_Tables_number   1
_cell_volume   268.798
_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  0.992  0.876  0.882  1.0
  Mn  Mn1  1  0.915  0.927  0.285  1.0
  V  V2  1  0.222  0.588  0.768  1.0
  V  V3  1  0.390  0.777  0.268  1.0
  V  V4  1  0.612  0.211  0.740  1.0
  V  V5  1  0.779  0.400  0.222  1.0
  O  O6  1  0.036  0.766  0.644  1.0
  O  O7  1  0.111  0.360  0.812  1.0
  O  O8  1  0.202  0.939  0.162  1.0
  O  O9  1  0.362  0.618  0.552  1.0
  O  O10  1  0.397  0.080  0.697  1.0
  O  O11  1  0.352  0.635  0.053  1.0
  O  O12  1  0.620  0.354  0.952  1.0
  O  O13  1  0.618  0.901  0.309  1.0
  O  O14  1  0.656  0.367  0.454  1.0
  O  O15  1  0.795  0.041  0.885  1.0
  O  O16  1  0.891  0.647  0.148  1.0
  O  O17  1  0.949  0.227  0.320  1.0
[/CIF]
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