The compound described by MgFe4(TeO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgFe4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.805
_cell_length_c   9.217
_cell_angle_alpha   90.006
_cell_angle_beta   90.001
_cell_angle_gamma   89.969
_symmetry_Int_Tables_number   1
_cell_volume   213.122
_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  0.500  0.000  0.751  1.0
  Fe  Fe1  1  0.000  0.000  0.336  1.0
  Fe  Fe2  1  0.500  0.500  0.847  1.0
  Fe  Fe3  1  1.000  1.000  0.655  1.0
  Fe  Fe4  1  0.500  0.500  0.166  1.0
  Te  Te5  1  1.000  0.000  0.011  1.0
  Te  Te6  1  0.500  0.500  0.489  1.0
  O  O7  1  0.685  0.692  0.653  1.0
  O  O8  1  0.315  0.308  0.653  1.0
  O  O9  1  0.689  0.688  0.329  1.0
  O  O10  1  0.193  0.805  0.168  1.0
  O  O11  1  0.808  0.195  0.168  1.0
  O  O12  1  0.810  0.185  0.846  1.0
  O  O13  1  0.294  0.290  0.009  1.0
  O  O14  1  0.211  0.792  0.491  1.0
  O  O15  1  0.788  0.208  0.491  1.0
  O  O16  1  0.190  0.815  0.846  1.0
  O  O17  1  0.311  0.312  0.329  1.0
  O  O18  1  0.706  0.710  0.009  1.0
[/CIF]
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The compound described by MgFe4(TeO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(2), one Fe(3), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(2), one Fe(4), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(3), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgFe4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.812
_cell_length_b   4.805
_cell_length_c   9.217
_cell_angle_alpha   90.006
_cell_angle_beta   90.001
_cell_angle_gamma   89.969
_symmetry_Int_Tables_number   1
_cell_volume   213.122
_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  0.500  0.000  0.751  1.0
  Fe  Fe1  1  0.000  0.000  0.336  1.0
  Fe  Fe2  1  0.500  0.500  0.847  1.0
  Fe  Fe3  1  1.000  1.000  0.655  1.0
  Fe  Fe4  1  0.500  0.500  0.166  1.0
  Te  Te5  1  1.000  0.000  0.011  1.0
  Te  Te6  1  0.500  0.500  0.489  1.0
  O  O7  1  0.685  0.692  0.653  1.0
  O  O8  1  0.315  0.308  0.653  1.0
  O  O9  1  0.689  0.688  0.329  1.0
  O  O10  1  0.193  0.805  0.168  1.0
  O  O11  1  0.808  0.195  0.168  1.0
  O  O12  1  0.810  0.185  0.846  1.0
  O  O13  1  0.294  0.290  0.009  1.0
  O  O14  1  0.211  0.792  0.491  1.0
  O  O15  1  0.788  0.208  0.491  1.0
  O  O16  1  0.190  0.815  0.846  1.0
  O  O17  1  0.311  0.312  0.329  1.0
  O  O18  1  0.706  0.710  0.009  1.0
[/CIF]
.