The material structure described by MgV4MnCuO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one V(2)O4 tetrahedra, and  an edgeedge with one V(4)O4 tetrahedra. 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, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-64°. 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  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 31-60°. 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, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-63°. 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  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-60°. 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 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, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. Cu(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 CuO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Cu(1) 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 distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), 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 4-coordinate geometry to one Mg(1), one V(3), one Mn(1), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(4), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(4), one Mn(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_MgMnV4CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.926
_cell_length_c   5.882
_cell_angle_alpha   73.175
_cell_angle_beta   106.413
_cell_angle_gamma   100.565
_symmetry_Int_Tables_number   1
_cell_volume   257.313
_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  0.723  0.736  0.743  1.0
  Mn  Mn1  1  0.932  0.926  0.261  1.0
  V  V2  1  0.186  0.598  0.781  1.0
  V  V3  1  0.390  0.793  0.287  1.0
  V  V4  1  0.609  0.196  0.722  1.0
  V  V5  1  0.794  0.388  0.217  1.0
  Cu  Cu6  1  0.100  0.083  0.756  1.0
  O  O7  1  0.002  0.788  0.663  1.0
  O  O8  1  0.081  0.361  0.759  1.0
  O  O9  1  0.216  0.965  0.172  1.0
  O  O10  1  0.399  0.670  0.607  1.0
  O  O11  1  0.374  0.087  0.718  1.0
  O  O12  1  0.342  0.633  0.090  1.0
  O  O13  1  0.669  0.390  0.898  1.0
  O  O14  1  0.640  0.899  0.333  1.0
  O  O15  1  0.624  0.329  0.416  1.0
  O  O16  1  0.771  0.004  0.845  1.0
  O  O17  1  0.887  0.639  0.166  1.0
  O  O18  1  0.971  0.225  0.316  1.0
[/CIF]
.
The material structure described by MgV4MnCuO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(7), and one O(8) atom to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one V(2)O4 tetrahedra, and  an edgeedge with one V(4)O4 tetrahedra. 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, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-64°. 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  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 31-60°. 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, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-63°. 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  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-60°. 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 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, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. Cu(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 CuO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Cu(1) 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 distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), 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 4-coordinate geometry to one Mg(1), one V(3), one Mn(1), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one V(4), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(4), one Mn(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_MgMnV4CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.926
_cell_length_c   5.882
_cell_angle_alpha   73.175
_cell_angle_beta   106.413
_cell_angle_gamma   100.565
_symmetry_Int_Tables_number   1
_cell_volume   257.313
_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  0.723  0.736  0.743  1.0
  Mn  Mn1  1  0.932  0.926  0.261  1.0
  V  V2  1  0.186  0.598  0.781  1.0
  V  V3  1  0.390  0.793  0.287  1.0
  V  V4  1  0.609  0.196  0.722  1.0
  V  V5  1  0.794  0.388  0.217  1.0
  Cu  Cu6  1  0.100  0.083  0.756  1.0
  O  O7  1  0.002  0.788  0.663  1.0
  O  O8  1  0.081  0.361  0.759  1.0
  O  O9  1  0.216  0.965  0.172  1.0
  O  O10  1  0.399  0.670  0.607  1.0
  O  O11  1  0.374  0.087  0.718  1.0
  O  O12  1  0.342  0.633  0.090  1.0
  O  O13  1  0.669  0.390  0.898  1.0
  O  O14  1  0.640  0.899  0.333  1.0
  O  O15  1  0.624  0.329  0.416  1.0
  O  O16  1  0.771  0.004  0.845  1.0
  O  O17  1  0.887  0.639  0.166  1.0
  O  O18  1  0.971  0.225  0.316  1.0
[/CIF]
.