The compound 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 4-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 4-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   5.940
_cell_length_b   9.959
_cell_length_c   9.461
_cell_angle_alpha   18.339
_cell_angle_beta   34.432
_cell_angle_gamma   38.466
_symmetry_Int_Tables_number   1
_cell_volume   99.570
_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  0.997  0.439  0.063  1.0
  Cu  Cu1  1  0.502  0.017  0.481  1.0
  Te  Te2  1  0.499  0.602  0.399  1.0
  O  O3  1  0.409  0.945  0.275  1.0
  O  O4  1  0.148  0.520  0.118  1.0
  O  O5  1  0.582  0.942  0.843  1.0
  O  O6  1  0.857  0.520  0.838  1.0
[/CIF]
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The compound 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 4-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 4-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   5.940
_cell_length_b   9.959
_cell_length_c   9.461
_cell_angle_alpha   18.339
_cell_angle_beta   34.432
_cell_angle_gamma   38.466
_symmetry_Int_Tables_number   1
_cell_volume   99.570
_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  0.997  0.439  0.063  1.0
  Cu  Cu1  1  0.502  0.017  0.481  1.0
  Te  Te2  1  0.499  0.602  0.399  1.0
  O  O3  1  0.409  0.945  0.275  1.0
  O  O4  1  0.148  0.520  0.118  1.0
  O  O5  1  0.582  0.942  0.843  1.0
  O  O6  1  0.857  0.520  0.838  1.0
[/CIF]
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