The material described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(6), and one O(9) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(9) atom. 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 Mn(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-56°. 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 corners with two equivalent V(4)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(2), one V(3), and one Mn(1) atom to form distorted edge-sharing OMgMnV2 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), one V(3), and one Mn(1) atom to form distorted edge-sharing OMgMnV2 trigonal pyramids. 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 bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), 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 T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.300
_cell_length_b   10.982
_cell_length_c   9.840
_cell_angle_alpha   26.888
_cell_angle_beta   51.356
_cell_angle_gamma   55.843
_symmetry_Int_Tables_number   1
_cell_volume   202.288
_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  0.787  0.500  0.784  1.0
  Mn  Mn1  1  0.295  0.002  0.287  1.0
  V  V2  1  0.028  0.007  0.980  1.0
  V  V3  1  0.937  0.498  0.036  1.0
  V  V4  1  0.450  0.006  0.526  1.0
  V  V5  1  0.530  0.510  0.479  1.0
  O  O6  1  0.350  0.285  0.131  1.0
  O  O7  1  0.232  0.108  0.633  1.0
  O  O8  1  0.100  0.308  0.741  1.0
  O  O9  1  0.875  0.191  0.218  1.0
  O  O10  1  0.339  0.811  0.119  1.0
  O  O11  1  0.723  0.395  0.344  1.0
  O  O12  1  0.236  0.652  0.558  1.0
  O  O13  1  0.606  0.201  0.844  1.0
  O  O14  1  0.141  0.785  0.742  1.0
  O  O15  1  0.852  0.693  0.229  1.0
  O  O16  1  0.715  0.868  0.345  1.0
  O  O17  1  0.651  0.672  0.846  1.0
[/CIF]
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The material described by MgV4MnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(6), and one O(9) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(9) atom. 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 Mn(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-56°. 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 corners with two equivalent V(4)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(2), one V(3), and one Mn(1) atom to form distorted edge-sharing OMgMnV2 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), one V(3), and one Mn(1) atom to form distorted edge-sharing OMgMnV2 trigonal pyramids. 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 bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), 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 T-shaped geometry to one V(2), one V(3), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_MgMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.300
_cell_length_b   10.982
_cell_length_c   9.840
_cell_angle_alpha   26.888
_cell_angle_beta   51.356
_cell_angle_gamma   55.843
_symmetry_Int_Tables_number   1
_cell_volume   202.288
_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  0.787  0.500  0.784  1.0
  Mn  Mn1  1  0.295  0.002  0.287  1.0
  V  V2  1  0.028  0.007  0.980  1.0
  V  V3  1  0.937  0.498  0.036  1.0
  V  V4  1  0.450  0.006  0.526  1.0
  V  V5  1  0.530  0.510  0.479  1.0
  O  O6  1  0.350  0.285  0.131  1.0
  O  O7  1  0.232  0.108  0.633  1.0
  O  O8  1  0.100  0.308  0.741  1.0
  O  O9  1  0.875  0.191  0.218  1.0
  O  O10  1  0.339  0.811  0.119  1.0
  O  O11  1  0.723  0.395  0.344  1.0
  O  O12  1  0.236  0.652  0.558  1.0
  O  O13  1  0.606  0.201  0.844  1.0
  O  O14  1  0.141  0.785  0.742  1.0
  O  O15  1  0.852  0.693  0.229  1.0
  O  O16  1  0.715  0.868  0.345  1.0
  O  O17  1  0.651  0.672  0.846  1.0
[/CIF]
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