The material structure described by MgCr2(SbO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Sb(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Sb site, Sb(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted SbO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgCr2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   56.910
_cell_angle_beta   55.052
_cell_angle_gamma   55.052
_symmetry_Int_Tables_number   1
_cell_volume   179.879
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Sb  Sb3  1  0.000  0.500  0.500  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.281  0.268  0.268  1.0
  O  O6  1  0.226  0.252  0.721  1.0
  O  O7  1  0.226  0.721  0.252  1.0
  O  O8  1  0.702  0.243  0.243  1.0
  O  O9  1  0.298  0.757  0.757  1.0
  O  O10  1  0.774  0.748  0.279  1.0
  O  O11  1  0.774  0.279  0.748  1.0
  O  O12  1  0.719  0.732  0.732  1.0
[/CIF]
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The material structure described by MgCr2(SbO4)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Sb(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Sb site, Sb(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted SbO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgCr2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.750
_cell_length_b   6.475
_cell_length_c   6.475
_cell_angle_alpha   56.910
_cell_angle_beta   55.052
_cell_angle_gamma   55.052
_symmetry_Int_Tables_number   1
_cell_volume   179.879
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Sb  Sb3  1  0.000  0.500  0.500  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.281  0.268  0.268  1.0
  O  O6  1  0.226  0.252  0.721  1.0
  O  O7  1  0.226  0.721  0.252  1.0
  O  O8  1  0.702  0.243  0.243  1.0
  O  O9  1  0.298  0.757  0.757  1.0
  O  O10  1  0.774  0.748  0.279  1.0
  O  O11  1  0.774  0.279  0.748  1.0
  O  O12  1  0.719  0.732  0.732  1.0
[/CIF]
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