The compound described by KMg3V3CuO12 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(2)O6 pentagonal pyramid. In the second Mg site, Mg(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with two equivalent Mg(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-64°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with two equivalent Mg(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-61°. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mg(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mg(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg3V3CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   8.909
_cell_length_c   6.963
_cell_angle_alpha   75.223
_cell_angle_beta   75.223
_cell_angle_gamma   92.542
_symmetry_Int_Tables_number   1
_cell_volume   513.080
_cell_formula_units_Z   2
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
  K  K0  1  0.515  0.485  0.250  1.0
  K  K1  1  0.485  0.515  0.750  1.0
  Mg  Mg2  1  0.553  0.876  0.375  1.0
  Mg  Mg3  1  0.447  0.124  0.625  1.0
  Mg  Mg4  1  0.124  0.447  0.125  1.0
  Mg  Mg5  1  0.876  0.553  0.875  1.0
  Mg  Mg6  1  0.241  0.759  0.250  1.0
  Mg  Mg7  1  0.759  0.241  0.750  1.0
  V  V8  1  0.381  0.148  0.122  1.0
  V  V9  1  0.619  0.852  0.878  1.0
  V  V10  1  0.852  0.619  0.378  1.0
  V  V11  1  0.148  0.381  0.622  1.0
  V  V12  1  0.788  0.212  0.250  1.0
  V  V13  1  0.212  0.788  0.750  1.0
  Cu  Cu14  1  0.997  0.003  0.250  1.0
  Cu  Cu15  1  0.003  0.997  0.750  1.0
  O  O16  1  0.673  0.684  0.387  1.0
  O  O17  1  0.327  0.316  0.613  1.0
  O  O18  1  0.316  0.327  0.113  1.0
  O  O19  1  0.684  0.673  0.887  1.0
  O  O20  1  0.773  0.011  0.268  1.0
  O  O21  1  0.227  0.989  0.732  1.0
  O  O22  1  0.989  0.227  0.232  1.0
  O  O23  1  0.011  0.773  0.768  1.0
  O  O24  1  0.679  0.248  0.478  1.0
  O  O25  1  0.321  0.752  0.522  1.0
  O  O26  1  0.752  0.321  0.022  1.0
  O  O27  1  0.248  0.679  0.978  1.0
  O  O28  1  0.221  0.004  0.177  1.0
  O  O29  1  0.779  0.996  0.823  1.0
  O  O30  1  0.996  0.779  0.323  1.0
  O  O31  1  0.004  0.221  0.677  1.0
  O  O32  1  0.472  0.099  0.322  1.0
  O  O33  1  0.528  0.901  0.678  1.0
  O  O34  1  0.901  0.528  0.178  1.0
  O  O35  1  0.099  0.472  0.822  1.0
  O  O36  1  0.487  0.831  0.122  1.0
  O  O37  1  0.513  0.169  0.878  1.0
  O  O38  1  0.169  0.513  0.378  1.0
  O  O39  1  0.831  0.487  0.622  1.0
[/CIF]
.
The compound described by KMg3V3CuO12 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(2)O6 pentagonal pyramid. In the second Mg site, Mg(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with two equivalent Mg(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 35-64°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra and corners with two equivalent Mg(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 59-61°. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mg(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mg(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg3V3CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   8.909
_cell_length_c   6.963
_cell_angle_alpha   75.223
_cell_angle_beta   75.223
_cell_angle_gamma   92.542
_symmetry_Int_Tables_number   1
_cell_volume   513.080
_cell_formula_units_Z   2
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
  K  K0  1  0.515  0.485  0.250  1.0
  K  K1  1  0.485  0.515  0.750  1.0
  Mg  Mg2  1  0.553  0.876  0.375  1.0
  Mg  Mg3  1  0.447  0.124  0.625  1.0
  Mg  Mg4  1  0.124  0.447  0.125  1.0
  Mg  Mg5  1  0.876  0.553  0.875  1.0
  Mg  Mg6  1  0.241  0.759  0.250  1.0
  Mg  Mg7  1  0.759  0.241  0.750  1.0
  V  V8  1  0.381  0.148  0.122  1.0
  V  V9  1  0.619  0.852  0.878  1.0
  V  V10  1  0.852  0.619  0.378  1.0
  V  V11  1  0.148  0.381  0.622  1.0
  V  V12  1  0.788  0.212  0.250  1.0
  V  V13  1  0.212  0.788  0.750  1.0
  Cu  Cu14  1  0.997  0.003  0.250  1.0
  Cu  Cu15  1  0.003  0.997  0.750  1.0
  O  O16  1  0.673  0.684  0.387  1.0
  O  O17  1  0.327  0.316  0.613  1.0
  O  O18  1  0.316  0.327  0.113  1.0
  O  O19  1  0.684  0.673  0.887  1.0
  O  O20  1  0.773  0.011  0.268  1.0
  O  O21  1  0.227  0.989  0.732  1.0
  O  O22  1  0.989  0.227  0.232  1.0
  O  O23  1  0.011  0.773  0.768  1.0
  O  O24  1  0.679  0.248  0.478  1.0
  O  O25  1  0.321  0.752  0.522  1.0
  O  O26  1  0.752  0.321  0.022  1.0
  O  O27  1  0.248  0.679  0.978  1.0
  O  O28  1  0.221  0.004  0.177  1.0
  O  O29  1  0.779  0.996  0.823  1.0
  O  O30  1  0.996  0.779  0.323  1.0
  O  O31  1  0.004  0.221  0.677  1.0
  O  O32  1  0.472  0.099  0.322  1.0
  O  O33  1  0.528  0.901  0.678  1.0
  O  O34  1  0.901  0.528  0.178  1.0
  O  O35  1  0.099  0.472  0.822  1.0
  O  O36  1  0.487  0.831  0.122  1.0
  O  O37  1  0.513  0.169  0.878  1.0
  O  O38  1  0.169  0.513  0.378  1.0
  O  O39  1  0.831  0.487  0.622  1.0
[/CIF]
.