The structure described by KMg2V3(CuO6)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one 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(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), 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 two equivalent Mg(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one V(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Cu(2) atom. is represented by the CIF card [CIF]
data_KMg2V3(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.842
_cell_length_b   8.842
_cell_length_c   7.124
_cell_angle_alpha   74.555
_cell_angle_beta   74.555
_cell_angle_gamma   92.269
_symmetry_Int_Tables_number   1
_cell_volume   513.722
_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  0.993  0.007  0.250  1.0
  K  K1  1  0.007  0.993  0.750  1.0
  Mg  Mg2  1  0.627  0.947  0.622  1.0
  Mg  Mg3  1  0.053  0.373  0.878  1.0
  Mg  Mg4  1  0.373  0.053  0.378  1.0
  Mg  Mg5  1  0.947  0.627  0.122  1.0
  V  V6  1  0.356  0.114  0.881  1.0
  V  V7  1  0.284  0.716  0.750  1.0
  V  V8  1  0.114  0.356  0.381  1.0
  V  V9  1  0.644  0.886  0.119  1.0
  V  V10  1  0.886  0.644  0.619  1.0
  V  V11  1  0.716  0.284  0.250  1.0
  Cu  Cu12  1  0.734  0.266  0.750  1.0
  Cu  Cu13  1  0.266  0.734  0.250  1.0
  Cu  Cu14  1  0.507  0.493  0.250  1.0
  Cu  Cu15  1  0.493  0.507  0.750  1.0
  O  O16  1  0.500  0.719  0.176  1.0
  O  O17  1  0.281  0.500  0.324  1.0
  O  O18  1  0.500  0.281  0.824  1.0
  O  O19  1  0.719  0.500  0.676  1.0
  O  O20  1  0.169  0.754  0.967  1.0
  O  O21  1  0.246  0.831  0.533  1.0
  O  O22  1  0.831  0.246  0.033  1.0
  O  O23  1  0.754  0.169  0.467  1.0
  O  O24  1  0.970  0.595  0.819  1.0
  O  O25  1  0.405  0.030  0.681  1.0
  O  O26  1  0.030  0.405  0.181  1.0
  O  O27  1  0.595  0.970  0.319  1.0
  O  O28  1  0.020  0.669  0.375  1.0
  O  O29  1  0.331  0.980  0.125  1.0
  O  O30  1  0.980  0.331  0.625  1.0
  O  O31  1  0.669  0.020  0.875  1.0
  O  O32  1  0.823  0.818  0.111  1.0
  O  O33  1  0.182  0.177  0.389  1.0
  O  O34  1  0.177  0.182  0.889  1.0
  O  O35  1  0.818  0.823  0.611  1.0
  O  O36  1  0.490  0.729  0.732  1.0
  O  O37  1  0.271  0.510  0.768  1.0
  O  O38  1  0.510  0.271  0.268  1.0
  O  O39  1  0.729  0.490  0.232  1.0
[/CIF]
.
The structure described by KMg2V3(CuO6)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and  an edgeedge with one 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(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), 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 two equivalent Mg(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one V(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Cu(2) atom. is represented by the CIF card [CIF]
data_KMg2V3(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.842
_cell_length_b   8.842
_cell_length_c   7.124
_cell_angle_alpha   74.555
_cell_angle_beta   74.555
_cell_angle_gamma   92.269
_symmetry_Int_Tables_number   1
_cell_volume   513.722
_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  0.993  0.007  0.250  1.0
  K  K1  1  0.007  0.993  0.750  1.0
  Mg  Mg2  1  0.627  0.947  0.622  1.0
  Mg  Mg3  1  0.053  0.373  0.878  1.0
  Mg  Mg4  1  0.373  0.053  0.378  1.0
  Mg  Mg5  1  0.947  0.627  0.122  1.0
  V  V6  1  0.356  0.114  0.881  1.0
  V  V7  1  0.284  0.716  0.750  1.0
  V  V8  1  0.114  0.356  0.381  1.0
  V  V9  1  0.644  0.886  0.119  1.0
  V  V10  1  0.886  0.644  0.619  1.0
  V  V11  1  0.716  0.284  0.250  1.0
  Cu  Cu12  1  0.734  0.266  0.750  1.0
  Cu  Cu13  1  0.266  0.734  0.250  1.0
  Cu  Cu14  1  0.507  0.493  0.250  1.0
  Cu  Cu15  1  0.493  0.507  0.750  1.0
  O  O16  1  0.500  0.719  0.176  1.0
  O  O17  1  0.281  0.500  0.324  1.0
  O  O18  1  0.500  0.281  0.824  1.0
  O  O19  1  0.719  0.500  0.676  1.0
  O  O20  1  0.169  0.754  0.967  1.0
  O  O21  1  0.246  0.831  0.533  1.0
  O  O22  1  0.831  0.246  0.033  1.0
  O  O23  1  0.754  0.169  0.467  1.0
  O  O24  1  0.970  0.595  0.819  1.0
  O  O25  1  0.405  0.030  0.681  1.0
  O  O26  1  0.030  0.405  0.181  1.0
  O  O27  1  0.595  0.970  0.319  1.0
  O  O28  1  0.020  0.669  0.375  1.0
  O  O29  1  0.331  0.980  0.125  1.0
  O  O30  1  0.980  0.331  0.625  1.0
  O  O31  1  0.669  0.020  0.875  1.0
  O  O32  1  0.823  0.818  0.111  1.0
  O  O33  1  0.182  0.177  0.389  1.0
  O  O34  1  0.177  0.182  0.889  1.0
  O  O35  1  0.818  0.823  0.611  1.0
  O  O36  1  0.490  0.729  0.732  1.0
  O  O37  1  0.271  0.510  0.768  1.0
  O  O38  1  0.510  0.271  0.268  1.0
  O  O39  1  0.729  0.490  0.232  1.0
[/CIF]
.