The compound described by MgV4MnO12 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(12), one O(2), one O(6), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-57°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   10.616
_cell_length_c   9.502
_cell_angle_alpha   28.441
_cell_angle_beta   50.523
_cell_angle_gamma   56.113
_symmetry_Int_Tables_number   1
_cell_volume   202.153
_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  0.187  0.486  0.206  1.0
  Mn  Mn1  1  0.296  0.015  0.278  1.0
  V  V2  1  0.047  0.017  0.956  1.0
  V  V3  1  0.943  0.496  0.020  1.0
  V  V4  1  0.524  0.982  0.497  1.0
  V  V5  1  0.487  0.509  0.501  1.0
  O  O6  1  0.317  0.285  0.150  1.0
  O  O7  1  0.251  0.111  0.613  1.0
  O  O8  1  0.138  0.308  0.718  1.0
  O  O9  1  0.891  0.177  0.230  1.0
  O  O10  1  0.316  0.806  0.130  1.0
  O  O11  1  0.732  0.396  0.340  1.0
  O  O12  1  0.231  0.654  0.579  1.0
  O  O13  1  0.595  0.214  0.832  1.0
  O  O14  1  0.137  0.768  0.770  1.0
  O  O15  1  0.837  0.693  0.226  1.0
  O  O16  1  0.701  0.915  0.316  1.0
  O  O17  1  0.617  0.667  0.876  1.0
[/CIF]
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The compound described by MgV4MnO12 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(12), one O(2), one O(6), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second V site, V(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-57°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-58°. Mn(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   10.616
_cell_length_c   9.502
_cell_angle_alpha   28.441
_cell_angle_beta   50.523
_cell_angle_gamma   56.113
_symmetry_Int_Tables_number   1
_cell_volume   202.153
_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  0.187  0.486  0.206  1.0
  Mn  Mn1  1  0.296  0.015  0.278  1.0
  V  V2  1  0.047  0.017  0.956  1.0
  V  V3  1  0.943  0.496  0.020  1.0
  V  V4  1  0.524  0.982  0.497  1.0
  V  V5  1  0.487  0.509  0.501  1.0
  O  O6  1  0.317  0.285  0.150  1.0
  O  O7  1  0.251  0.111  0.613  1.0
  O  O8  1  0.138  0.308  0.718  1.0
  O  O9  1  0.891  0.177  0.230  1.0
  O  O10  1  0.316  0.806  0.130  1.0
  O  O11  1  0.732  0.396  0.340  1.0
  O  O12  1  0.231  0.654  0.579  1.0
  O  O13  1  0.595  0.214  0.832  1.0
  O  O14  1  0.137  0.768  0.770  1.0
  O  O15  1  0.837  0.693  0.226  1.0
  O  O16  1  0.701  0.915  0.316  1.0
  O  O17  1  0.617  0.667  0.876  1.0
[/CIF]
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