The material structure described by BaMgV2CuO8 crystallizes in the orthorhombic Iba2 space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one V(1)O4 tetrahedra,  an edgeedge with one V(2)O4 tetrahedra, edges with two equivalent V(3)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-57°. 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 two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-58°. Cu(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(3), and one Cu(1) atom. In the second O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one V(3) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one V(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one V(2), and one Cu(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(3), and two equivalent Cu(1) atoms. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Mg(1), and one V(3) atom. In the seventh O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one V(1) atom. In the eighth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_BaMgV2CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.923
_cell_length_b   9.923
_cell_length_c   9.923
_cell_angle_alpha   129.858
_cell_angle_beta   100.902
_cell_angle_gamma   99.787
_symmetry_Int_Tables_number   1
_cell_volume   679.245
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.874  0.126  0.500  1.0
  Ba  Ba1  1  0.874  0.626  1.000  1.0
  Ba  Ba2  1  0.374  0.374  0.248  1.0
  Ba  Ba3  1  0.374  0.874  0.748  1.0
  Mg  Mg4  1  0.213  0.045  0.421  1.0
  Mg  Mg5  1  0.877  0.209  0.921  1.0
  Mg  Mg6  1  0.713  0.791  0.668  1.0
  Mg  Mg7  1  0.377  0.955  0.168  1.0
  V  V8  1  0.045  0.000  0.045  1.0
  V  V9  1  0.545  0.000  0.545  1.0
  V  V10  1  0.704  0.500  0.204  1.0
  V  V11  1  0.204  0.500  0.704  1.0
  V  V12  1  0.544  0.422  0.626  1.0
  V  V13  1  0.044  0.917  0.622  1.0
  V  V14  1  0.205  0.578  0.122  1.0
  V  V15  1  0.705  0.083  0.126  1.0
  Cu  Cu16  1  0.542  0.708  0.082  1.0
  Cu  Cu17  1  0.874  0.541  0.582  1.0
  Cu  Cu18  1  0.042  0.459  0.334  1.0
  Cu  Cu19  1  0.374  0.292  0.834  1.0
  O  O20  1  0.895  0.789  0.827  1.0
  O  O21  1  0.538  0.932  0.327  1.0
  O  O22  1  0.395  0.068  0.606  1.0
  O  O23  1  0.038  0.211  0.106  1.0
  O  O24  1  0.856  0.440  0.150  1.0
  O  O25  1  0.210  0.294  0.650  1.0
  O  O26  1  0.356  0.706  0.915  1.0
  O  O27  1  0.710  0.560  0.415  1.0
  O  O28  1  0.542  0.485  0.839  1.0
  O  O29  1  0.893  0.973  0.687  1.0
  O  O30  1  0.042  0.702  0.557  1.0
  O  O31  1  0.393  0.207  0.420  1.0
  O  O32  1  0.213  0.793  0.187  1.0
  O  O33  1  0.854  0.298  0.339  1.0
  O  O34  1  0.713  0.027  0.920  1.0
  O  O35  1  0.354  0.515  0.057  1.0
  O  O36  1  0.040  0.009  0.223  1.0
  O  O37  1  0.714  0.183  0.723  1.0
  O  O38  1  0.540  0.817  0.531  1.0
  O  O39  1  0.214  0.991  0.031  1.0
  O  O40  1  0.711  0.688  0.221  1.0
  O  O41  1  0.034  0.510  0.721  1.0
  O  O42  1  0.211  0.490  0.523  1.0
  O  O43  1  0.534  0.312  0.023  1.0
  O  O44  1  0.712  0.402  0.617  1.0
  O  O45  1  0.040  0.907  0.440  1.0
  O  O46  1  0.212  0.095  0.810  1.0
  O  O47  1  0.540  0.600  0.633  1.0
  O  O48  1  0.033  0.400  0.940  1.0
  O  O49  1  0.715  0.905  0.117  1.0
  O  O50  1  0.533  0.093  0.133  1.0
  O  O51  1  0.215  0.598  0.310  1.0
[/CIF]
.
The material structure described by BaMgV2CuO8 crystallizes in the orthorhombic Iba2 space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one V(1)O4 tetrahedra,  an edgeedge with one V(2)O4 tetrahedra, edges with two equivalent V(3)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-57°. 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 two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 44-58°. Cu(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(3), and one Cu(1) atom. In the second O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one V(3) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one V(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one V(2), and one Cu(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one V(3), and two equivalent Cu(1) atoms. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Mg(1), and one V(3) atom. In the seventh O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mg(1), and one V(1) atom. In the eighth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_BaMgV2CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.923
_cell_length_b   9.923
_cell_length_c   9.923
_cell_angle_alpha   129.858
_cell_angle_beta   100.902
_cell_angle_gamma   99.787
_symmetry_Int_Tables_number   1
_cell_volume   679.245
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.874  0.126  0.500  1.0
  Ba  Ba1  1  0.874  0.626  1.000  1.0
  Ba  Ba2  1  0.374  0.374  0.248  1.0
  Ba  Ba3  1  0.374  0.874  0.748  1.0
  Mg  Mg4  1  0.213  0.045  0.421  1.0
  Mg  Mg5  1  0.877  0.209  0.921  1.0
  Mg  Mg6  1  0.713  0.791  0.668  1.0
  Mg  Mg7  1  0.377  0.955  0.168  1.0
  V  V8  1  0.045  0.000  0.045  1.0
  V  V9  1  0.545  0.000  0.545  1.0
  V  V10  1  0.704  0.500  0.204  1.0
  V  V11  1  0.204  0.500  0.704  1.0
  V  V12  1  0.544  0.422  0.626  1.0
  V  V13  1  0.044  0.917  0.622  1.0
  V  V14  1  0.205  0.578  0.122  1.0
  V  V15  1  0.705  0.083  0.126  1.0
  Cu  Cu16  1  0.542  0.708  0.082  1.0
  Cu  Cu17  1  0.874  0.541  0.582  1.0
  Cu  Cu18  1  0.042  0.459  0.334  1.0
  Cu  Cu19  1  0.374  0.292  0.834  1.0
  O  O20  1  0.895  0.789  0.827  1.0
  O  O21  1  0.538  0.932  0.327  1.0
  O  O22  1  0.395  0.068  0.606  1.0
  O  O23  1  0.038  0.211  0.106  1.0
  O  O24  1  0.856  0.440  0.150  1.0
  O  O25  1  0.210  0.294  0.650  1.0
  O  O26  1  0.356  0.706  0.915  1.0
  O  O27  1  0.710  0.560  0.415  1.0
  O  O28  1  0.542  0.485  0.839  1.0
  O  O29  1  0.893  0.973  0.687  1.0
  O  O30  1  0.042  0.702  0.557  1.0
  O  O31  1  0.393  0.207  0.420  1.0
  O  O32  1  0.213  0.793  0.187  1.0
  O  O33  1  0.854  0.298  0.339  1.0
  O  O34  1  0.713  0.027  0.920  1.0
  O  O35  1  0.354  0.515  0.057  1.0
  O  O36  1  0.040  0.009  0.223  1.0
  O  O37  1  0.714  0.183  0.723  1.0
  O  O38  1  0.540  0.817  0.531  1.0
  O  O39  1  0.214  0.991  0.031  1.0
  O  O40  1  0.711  0.688  0.221  1.0
  O  O41  1  0.034  0.510  0.721  1.0
  O  O42  1  0.211  0.490  0.523  1.0
  O  O43  1  0.534  0.312  0.023  1.0
  O  O44  1  0.712  0.402  0.617  1.0
  O  O45  1  0.040  0.907  0.440  1.0
  O  O46  1  0.212  0.095  0.810  1.0
  O  O47  1  0.540  0.600  0.633  1.0
  O  O48  1  0.033  0.400  0.940  1.0
  O  O49  1  0.715  0.905  0.117  1.0
  O  O50  1  0.533  0.093  0.133  1.0
  O  O51  1  0.215  0.598  0.310  1.0
[/CIF]
.