The material described by MgNi(TeO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-73°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with four equivalent Te(4)O6 octahedra and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Te(4)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-43°. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth Te site, Te(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-73°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Te(1), and one Te(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_MgNi(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   11.373
_cell_length_c   10.258
_cell_angle_alpha   27.658
_cell_angle_beta   51.187
_cell_angle_gamma   55.655
_symmetry_Int_Tables_number   1
_cell_volume   236.694
_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  0.794  0.493  0.780  1.0
  Ni  Ni1  1  0.303  0.008  0.286  1.0
  Te  Te2  1  0.975  0.979  0.020  1.0
  Te  Te3  1  0.997  0.523  0.962  1.0
  Te  Te4  1  0.445  0.997  0.548  1.0
  Te  Te5  1  0.545  0.513  0.435  1.0
  O  O6  1  0.371  0.341  0.053  1.0
  O  O7  1  0.225  0.122  0.648  1.0
  O  O8  1  0.077  0.273  0.794  1.0
  O  O9  1  0.889  0.224  0.188  1.0
  O  O10  1  0.352  0.806  0.119  1.0
  O  O11  1  0.790  0.396  0.310  1.0
  O  O12  1  0.155  0.659  0.609  1.0
  O  O13  1  0.610  0.142  0.917  1.0
  O  O14  1  0.099  0.845  0.688  1.0
  O  O15  1  0.906  0.690  0.206  1.0
  O  O16  1  0.712  0.834  0.386  1.0
  O  O17  1  0.589  0.661  0.889  1.0
[/CIF]
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The material described by MgNi(TeO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-73°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with four equivalent Te(4)O6 octahedra and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Te(4)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-43°. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth Te site, Te(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-73°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Te(1), and one Te(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Te(2), and one Te(3) atom. is represented by the CIF file [CIF]
data_MgNi(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   11.373
_cell_length_c   10.258
_cell_angle_alpha   27.658
_cell_angle_beta   51.187
_cell_angle_gamma   55.655
_symmetry_Int_Tables_number   1
_cell_volume   236.694
_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  0.794  0.493  0.780  1.0
  Ni  Ni1  1  0.303  0.008  0.286  1.0
  Te  Te2  1  0.975  0.979  0.020  1.0
  Te  Te3  1  0.997  0.523  0.962  1.0
  Te  Te4  1  0.445  0.997  0.548  1.0
  Te  Te5  1  0.545  0.513  0.435  1.0
  O  O6  1  0.371  0.341  0.053  1.0
  O  O7  1  0.225  0.122  0.648  1.0
  O  O8  1  0.077  0.273  0.794  1.0
  O  O9  1  0.889  0.224  0.188  1.0
  O  O10  1  0.352  0.806  0.119  1.0
  O  O11  1  0.790  0.396  0.310  1.0
  O  O12  1  0.155  0.659  0.609  1.0
  O  O13  1  0.610  0.142  0.917  1.0
  O  O14  1  0.099  0.845  0.688  1.0
  O  O15  1  0.906  0.690  0.206  1.0
  O  O16  1  0.712  0.834  0.386  1.0
  O  O17  1  0.589  0.661  0.889  1.0
[/CIF]
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