The crystal structure described by MgCu2(TeO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with three equivalent Te(1)O5 trigonal bipyramids and  an edgeedge with one Mg(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(7) atom to form distorted TeO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Te(1) atom. In the second O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one Te(2) atom. In the third O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one Te(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(2) and one Te(1) atom. In the fifth O site, O(3) is bonded to two equivalent Mg(1), one Cu(1), and one Te(2) atom to form distorted edge-sharing OMg2CuTe tetrahedra. In the sixth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Cu(2), and one Te(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(2) atom. In the eighth O site, O(6) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Te(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_MgCu2(TeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   8.749
_cell_length_c   13.397
_cell_angle_alpha   90.000
_cell_angle_beta   91.029
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.008
_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
  Mg  Mg0  1  0.119  0.156  0.047  1.0
  Mg  Mg1  1  0.881  0.844  0.953  1.0
  Mg  Mg2  1  0.881  0.656  0.453  1.0
  Mg  Mg3  1  0.119  0.344  0.547  1.0
  Cu  Cu4  1  0.746  0.183  0.891  1.0
  Cu  Cu5  1  0.394  0.074  0.622  1.0
  Cu  Cu6  1  0.606  0.926  0.378  1.0
  Cu  Cu7  1  0.254  0.817  0.109  1.0
  Cu  Cu8  1  0.746  0.317  0.391  1.0
  Cu  Cu9  1  0.394  0.426  0.122  1.0
  Cu  Cu10  1  0.254  0.683  0.609  1.0
  Cu  Cu11  1  0.606  0.574  0.878  1.0
  Te  Te12  1  0.047  0.445  0.841  1.0
  Te  Te13  1  0.047  0.055  0.341  1.0
  Te  Te14  1  0.647  0.098  0.137  1.0
  Te  Te15  1  0.953  0.945  0.659  1.0
  Te  Te16  1  0.353  0.902  0.863  1.0
  Te  Te17  1  0.353  0.598  0.363  1.0
  Te  Te18  1  0.647  0.402  0.637  1.0
  Te  Te19  1  0.953  0.555  0.159  1.0
  O  O20  1  0.043  0.249  0.407  1.0
  O  O21  1  0.689  0.014  0.607  1.0
  O  O22  1  0.194  0.558  0.486  1.0
  O  O23  1  0.806  0.058  0.014  1.0
  O  O24  1  0.043  0.251  0.907  1.0
  O  O25  1  0.957  0.751  0.593  1.0
  O  O26  1  0.092  0.128  0.616  1.0
  O  O27  1  0.519  0.906  0.156  1.0
  O  O28  1  0.519  0.594  0.656  1.0
  O  O29  1  0.277  0.885  0.665  1.0
  O  O30  1  0.723  0.385  0.835  1.0
  O  O31  1  0.481  0.094  0.844  1.0
  O  O32  1  0.908  0.872  0.384  1.0
  O  O33  1  0.928  0.555  0.297  1.0
  O  O34  1  0.426  0.286  0.573  1.0
  O  O35  1  0.426  0.214  0.073  1.0
  O  O36  1  0.072  0.055  0.203  1.0
  O  O37  1  0.481  0.406  0.344  1.0
  O  O38  1  0.072  0.445  0.703  1.0
  O  O39  1  0.806  0.442  0.514  1.0
  O  O40  1  0.689  0.486  0.107  1.0
  O  O41  1  0.723  0.115  0.335  1.0
  O  O42  1  0.957  0.749  0.093  1.0
  O  O43  1  0.092  0.372  0.116  1.0
  O  O44  1  0.194  0.942  0.986  1.0
  O  O45  1  0.574  0.786  0.927  1.0
  O  O46  1  0.311  0.986  0.393  1.0
  O  O47  1  0.311  0.514  0.893  1.0
  O  O48  1  0.908  0.628  0.884  1.0
  O  O49  1  0.574  0.714  0.427  1.0
  O  O50  1  0.277  0.615  0.165  1.0
  O  O51  1  0.928  0.945  0.797  1.0
[/CIF]
.
The crystal structure described by MgCu2(TeO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with three equivalent Te(1)O5 trigonal bipyramids and  an edgeedge with one Mg(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(4), one O(6), and one O(7) atom to form distorted TeO5 trigonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-41°. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Te(1) atom. In the second O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cu(2), and one Te(2) atom. In the third O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cu(1), and one Te(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(2) and one Te(1) atom. In the fifth O site, O(3) is bonded to two equivalent Mg(1), one Cu(1), and one Te(2) atom to form distorted edge-sharing OMg2CuTe tetrahedra. In the sixth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Cu(2), and one Te(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one Te(2) atom. In the eighth O site, O(6) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Te(1), and one Te(2) atom. is represented by the CIF file [CIF]
data_MgCu2(TeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   8.749
_cell_length_c   13.397
_cell_angle_alpha   90.000
_cell_angle_beta   91.029
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.008
_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
  Mg  Mg0  1  0.119  0.156  0.047  1.0
  Mg  Mg1  1  0.881  0.844  0.953  1.0
  Mg  Mg2  1  0.881  0.656  0.453  1.0
  Mg  Mg3  1  0.119  0.344  0.547  1.0
  Cu  Cu4  1  0.746  0.183  0.891  1.0
  Cu  Cu5  1  0.394  0.074  0.622  1.0
  Cu  Cu6  1  0.606  0.926  0.378  1.0
  Cu  Cu7  1  0.254  0.817  0.109  1.0
  Cu  Cu8  1  0.746  0.317  0.391  1.0
  Cu  Cu9  1  0.394  0.426  0.122  1.0
  Cu  Cu10  1  0.254  0.683  0.609  1.0
  Cu  Cu11  1  0.606  0.574  0.878  1.0
  Te  Te12  1  0.047  0.445  0.841  1.0
  Te  Te13  1  0.047  0.055  0.341  1.0
  Te  Te14  1  0.647  0.098  0.137  1.0
  Te  Te15  1  0.953  0.945  0.659  1.0
  Te  Te16  1  0.353  0.902  0.863  1.0
  Te  Te17  1  0.353  0.598  0.363  1.0
  Te  Te18  1  0.647  0.402  0.637  1.0
  Te  Te19  1  0.953  0.555  0.159  1.0
  O  O20  1  0.043  0.249  0.407  1.0
  O  O21  1  0.689  0.014  0.607  1.0
  O  O22  1  0.194  0.558  0.486  1.0
  O  O23  1  0.806  0.058  0.014  1.0
  O  O24  1  0.043  0.251  0.907  1.0
  O  O25  1  0.957  0.751  0.593  1.0
  O  O26  1  0.092  0.128  0.616  1.0
  O  O27  1  0.519  0.906  0.156  1.0
  O  O28  1  0.519  0.594  0.656  1.0
  O  O29  1  0.277  0.885  0.665  1.0
  O  O30  1  0.723  0.385  0.835  1.0
  O  O31  1  0.481  0.094  0.844  1.0
  O  O32  1  0.908  0.872  0.384  1.0
  O  O33  1  0.928  0.555  0.297  1.0
  O  O34  1  0.426  0.286  0.573  1.0
  O  O35  1  0.426  0.214  0.073  1.0
  O  O36  1  0.072  0.055  0.203  1.0
  O  O37  1  0.481  0.406  0.344  1.0
  O  O38  1  0.072  0.445  0.703  1.0
  O  O39  1  0.806  0.442  0.514  1.0
  O  O40  1  0.689  0.486  0.107  1.0
  O  O41  1  0.723  0.115  0.335  1.0
  O  O42  1  0.957  0.749  0.093  1.0
  O  O43  1  0.092  0.372  0.116  1.0
  O  O44  1  0.194  0.942  0.986  1.0
  O  O45  1  0.574  0.786  0.927  1.0
  O  O46  1  0.311  0.986  0.393  1.0
  O  O47  1  0.311  0.514  0.893  1.0
  O  O48  1  0.908  0.628  0.884  1.0
  O  O49  1  0.574  0.714  0.427  1.0
  O  O50  1  0.277  0.615  0.165  1.0
  O  O51  1  0.928  0.945  0.797  1.0
[/CIF]
.