The material structure described by MgFe4(TeO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. 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, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. 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, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. 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 44-53°. 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,  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 44-53°. 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,  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 45-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OMgFe2Te trigonal pyramids. 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 rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Te(2) atom. is represented by the CIF file [CIF]
data_MgFe4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.887
_cell_length_c   9.038
_cell_angle_alpha   89.928
_cell_angle_beta   90.002
_cell_angle_gamma   90.869
_symmetry_Int_Tables_number   1
_cell_volume   212.166
_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  0.693  1.0
  Fe  Fe1  1  1.000  0.999  0.328  1.0
  Fe  Fe2  1  0.500  0.500  0.838  1.0
  Fe  Fe3  1  1.000  0.000  0.654  1.0
  Fe  Fe4  1  0.500  0.500  0.153  1.0
  Te  Te5  1  0.000  1.000  1.000  1.0
  Te  Te6  1  0.500  0.500  0.484  1.0
  O  O7  1  0.703  0.668  0.652  1.0
  O  O8  1  0.297  0.332  0.652  1.0
  O  O9  1  0.712  0.674  0.328  1.0
  O  O10  1  0.199  0.828  0.165  1.0
  O  O11  1  0.802  0.172  0.166  1.0
  O  O12  1  0.785  0.161  0.837  1.0
  O  O13  1  0.273  0.311  0.001  1.0
  O  O14  1  0.239  0.819  0.491  1.0
  O  O15  1  0.760  0.182  0.492  1.0
  O  O16  1  0.215  0.839  0.837  1.0
  O  O17  1  0.289  0.326  0.328  1.0
  O  O18  1  0.727  0.689  0.002  1.0
[/CIF]
.
The material structure described by MgFe4(TeO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. 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, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. 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, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. 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 44-53°. 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,  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 44-53°. 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,  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 45-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Fe(2), one Fe(3), and one Te(2) atom to form a mixture of distorted edge and corner-sharing OMgFe2Te trigonal pyramids. 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 rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(3), and one Te(2) atom. is represented by the CIF file [CIF]
data_MgFe4(TeO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   4.887
_cell_length_c   9.038
_cell_angle_alpha   89.928
_cell_angle_beta   90.002
_cell_angle_gamma   90.869
_symmetry_Int_Tables_number   1
_cell_volume   212.166
_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  0.693  1.0
  Fe  Fe1  1  1.000  0.999  0.328  1.0
  Fe  Fe2  1  0.500  0.500  0.838  1.0
  Fe  Fe3  1  1.000  0.000  0.654  1.0
  Fe  Fe4  1  0.500  0.500  0.153  1.0
  Te  Te5  1  0.000  1.000  1.000  1.0
  Te  Te6  1  0.500  0.500  0.484  1.0
  O  O7  1  0.703  0.668  0.652  1.0
  O  O8  1  0.297  0.332  0.652  1.0
  O  O9  1  0.712  0.674  0.328  1.0
  O  O10  1  0.199  0.828  0.165  1.0
  O  O11  1  0.802  0.172  0.166  1.0
  O  O12  1  0.785  0.161  0.837  1.0
  O  O13  1  0.273  0.311  0.001  1.0
  O  O14  1  0.239  0.819  0.491  1.0
  O  O15  1  0.760  0.182  0.492  1.0
  O  O16  1  0.215  0.839  0.837  1.0
  O  O17  1  0.289  0.326  0.328  1.0
  O  O18  1  0.727  0.689  0.002  1.0
[/CIF]
.