The material structure described by MgCu3(TeO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), one O(7), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Cu(3)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. In the second Te site, Te(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(3), and one Te(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cu(1), one Cu(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Cu(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(3), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Te(1), and one Te(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Cu(1), one Cu(3), and one Te(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgCu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.686
_cell_length_c   7.874
_cell_angle_alpha   105.964
_cell_angle_beta   100.013
_cell_angle_gamma   106.929
_symmetry_Int_Tables_number   1
_cell_volume   206.977
_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  0.550  0.814  0.420  1.0
  Cu  Cu1  1  0.011  0.503  0.997  1.0
  Cu  Cu2  1  0.700  0.859  0.887  1.0
  Cu  Cu3  1  0.307  0.109  0.091  1.0
  Te  Te4  1  0.105  0.688  0.695  1.0
  Te  Te5  1  0.896  0.305  0.291  1.0
  O  O6  1  0.062  0.013  0.833  1.0
  O  O7  1  0.337  0.681  0.919  1.0
  O  O8  1  0.107  0.343  0.531  1.0
  O  O9  1  0.214  0.520  0.234  1.0
  O  O10  1  0.456  0.860  0.660  1.0
  O  O11  1  0.549  0.101  0.316  1.0
  O  O12  1  0.804  0.496  0.773  1.0
  O  O13  1  0.865  0.657  0.457  1.0
  O  O14  1  0.677  0.327  0.075  1.0
  O  O15  1  0.949  0.990  0.155  1.0
[/CIF]
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The material structure described by MgCu3(TeO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), one O(7), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Cu(3)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. In the second Te site, Te(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form TeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Cu(3), and one Te(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cu(1), one Cu(3), and one Te(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one Cu(2), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(3), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Te(1), and one Te(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Cu(1), one Cu(3), and one Te(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgCu3(TeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.686
_cell_length_c   7.874
_cell_angle_alpha   105.964
_cell_angle_beta   100.013
_cell_angle_gamma   106.929
_symmetry_Int_Tables_number   1
_cell_volume   206.977
_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  0.550  0.814  0.420  1.0
  Cu  Cu1  1  0.011  0.503  0.997  1.0
  Cu  Cu2  1  0.700  0.859  0.887  1.0
  Cu  Cu3  1  0.307  0.109  0.091  1.0
  Te  Te4  1  0.105  0.688  0.695  1.0
  Te  Te5  1  0.896  0.305  0.291  1.0
  O  O6  1  0.062  0.013  0.833  1.0
  O  O7  1  0.337  0.681  0.919  1.0
  O  O8  1  0.107  0.343  0.531  1.0
  O  O9  1  0.214  0.520  0.234  1.0
  O  O10  1  0.456  0.860  0.660  1.0
  O  O11  1  0.549  0.101  0.316  1.0
  O  O12  1  0.804  0.496  0.773  1.0
  O  O13  1  0.865  0.657  0.457  1.0
  O  O14  1  0.677  0.327  0.075  1.0
  O  O15  1  0.949  0.990  0.155  1.0
[/CIF]
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