The material structure described by MgCuTeO4 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing MgO6 octahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMgCu2Te tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMgCu2Te tetrahedra. is represented by the CIF card [CIF]
data_MgCuTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   9.999
_cell_length_c   9.483
_cell_angle_alpha   18.251
_cell_angle_beta   34.270
_cell_angle_gamma   38.295
_symmetry_Int_Tables_number   1
_cell_volume   99.563
_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  0.007  0.436  0.059  1.0
  Cu  Cu1  1  0.491  0.020  0.490  1.0
  Te  Te2  1  0.500  0.601  0.395  1.0
  O  O3  1  0.422  0.939  0.272  1.0
  O  O4  1  0.136  0.523  0.123  1.0
  O  O5  1  0.594  0.945  0.831  1.0
  O  O6  1  0.844  0.522  0.847  1.0
[/CIF]
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The material structure described by MgCuTeO4 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing MgO6 octahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMgCu2Te tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMgCu2Te tetrahedra. is represented by the CIF card [CIF]
data_MgCuTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   9.999
_cell_length_c   9.483
_cell_angle_alpha   18.251
_cell_angle_beta   34.270
_cell_angle_gamma   38.295
_symmetry_Int_Tables_number   1
_cell_volume   99.563
_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  0.007  0.436  0.059  1.0
  Cu  Cu1  1  0.491  0.020  0.490  1.0
  Te  Te2  1  0.500  0.601  0.395  1.0
  O  O3  1  0.422  0.939  0.272  1.0
  O  O4  1  0.136  0.523  0.123  1.0
  O  O5  1  0.594  0.945  0.831  1.0
  O  O6  1  0.844  0.522  0.847  1.0
[/CIF]
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