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(10), one O(12), one O(2), one O(6), and one O(9) 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 distorted NiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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 two equivalent Te(3)O6 octahedra, 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 37-46°. 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, corners with four equivalent Te(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-59°. 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 36-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar 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 distorted trigonal planar geometry to one Mg(1), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to 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 T-shaped geometry to one Mg(1), one Te(2), and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Te(1), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Ni(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Te(2), and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   11.381
_cell_length_c   10.100
_cell_angle_alpha   27.654
_cell_angle_beta   50.082
_cell_angle_gamma   55.495
_symmetry_Int_Tables_number   1
_cell_volume   236.783
_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  0.162  0.490  0.208  1.0
  Ni  Ni1  1  0.316  0.000  0.292  1.0
  Te  Te2  1  0.987  0.999  0.978  1.0
  Te  Te3  1  0.983  0.501  0.983  1.0
  Te  Te4  1  0.539  0.985  0.486  1.0
  Te  Te5  1  0.430  0.506  0.484  1.0
  O  O6  1  0.330  0.316  0.111  1.0
  O  O7  1  0.241  0.149  0.597  1.0
  O  O8  1  0.090  0.299  0.753  1.0
  O  O9  1  0.918  0.184  0.218  1.0
  O  O10  1  0.332  0.822  0.109  1.0
  O  O11  1  0.776  0.400  0.323  1.0
  O  O12  1  0.176  0.662  0.600  1.0
  O  O13  1  0.616  0.154  0.902  1.0
  O  O14  1  0.125  0.796  0.738  1.0
  O  O15  1  0.902  0.703  0.202  1.0
  O  O16  1  0.719  0.876  0.351  1.0
  O  O17  1  0.594  0.646  0.912  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(10), one O(12), one O(2), one O(6), and one O(9) 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 distorted NiO6 octahedra that share  a cornercorner with one Te(3)O6 octahedra, corners with two equivalent Te(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  a faceface with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. 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 two equivalent Te(3)O6 octahedra, 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 37-46°. 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, corners with four equivalent Te(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the third Te site, Te(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TeO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-59°. 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 36-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar 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 distorted trigonal planar geometry to one Mg(1), one Te(1), and one Te(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Te(1) and one Te(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to 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 T-shaped geometry to one Mg(1), one Te(2), and one Te(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(1), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ni(1), one Te(1), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), one Te(2), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Te(1), and one Te(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Ni(1), one Te(1), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Te(2), and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi(TeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   11.381
_cell_length_c   10.100
_cell_angle_alpha   27.654
_cell_angle_beta   50.082
_cell_angle_gamma   55.495
_symmetry_Int_Tables_number   1
_cell_volume   236.783
_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  0.162  0.490  0.208  1.0
  Ni  Ni1  1  0.316  0.000  0.292  1.0
  Te  Te2  1  0.987  0.999  0.978  1.0
  Te  Te3  1  0.983  0.501  0.983  1.0
  Te  Te4  1  0.539  0.985  0.486  1.0
  Te  Te5  1  0.430  0.506  0.484  1.0
  O  O6  1  0.330  0.316  0.111  1.0
  O  O7  1  0.241  0.149  0.597  1.0
  O  O8  1  0.090  0.299  0.753  1.0
  O  O9  1  0.918  0.184  0.218  1.0
  O  O10  1  0.332  0.822  0.109  1.0
  O  O11  1  0.776  0.400  0.323  1.0
  O  O12  1  0.176  0.662  0.600  1.0
  O  O13  1  0.616  0.154  0.902  1.0
  O  O14  1  0.125  0.796  0.738  1.0
  O  O15  1  0.902  0.703  0.202  1.0
  O  O16  1  0.719  0.876  0.351  1.0
  O  O17  1  0.594  0.646  0.912  1.0
[/CIF]
.