The material 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(2) and four equivalent O(1) atoms to form MgO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra and edges with four equivalent Sb(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Cr(1), one Cr(2), and one Sb(1) atom to form a mixture of edge and corner-sharing OMgCr2Sb trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_MgCr2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   6.910
_cell_length_c   6.287
_cell_angle_alpha   52.511
_cell_angle_beta   59.733
_cell_angle_gamma   62.704
_symmetry_Int_Tables_number   1
_cell_volume   183.975
_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  0.500  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  0.236  0.293  0.288  1.0
  O  O6  1  0.206  0.319  0.768  1.0
  O  O7  1  0.292  0.693  0.222  1.0
  O  O8  1  0.683  0.293  0.288  1.0
  O  O9  1  0.317  0.707  0.712  1.0
  O  O10  1  0.794  0.681  0.232  1.0
  O  O11  1  0.708  0.307  0.778  1.0
  O  O12  1  0.764  0.707  0.712  1.0
[/CIF]
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The material 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(2) and four equivalent O(1) atoms to form MgO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra and edges with four equivalent Sb(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Cr(1), one Cr(2), and one Sb(1) atom to form a mixture of edge and corner-sharing OMgCr2Sb trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_MgCr2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   6.910
_cell_length_c   6.287
_cell_angle_alpha   52.511
_cell_angle_beta   59.733
_cell_angle_gamma   62.704
_symmetry_Int_Tables_number   1
_cell_volume   183.975
_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  0.500  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  0.236  0.293  0.288  1.0
  O  O6  1  0.206  0.319  0.768  1.0
  O  O7  1  0.292  0.693  0.222  1.0
  O  O8  1  0.683  0.293  0.288  1.0
  O  O9  1  0.317  0.707  0.712  1.0
  O  O10  1  0.794  0.681  0.232  1.0
  O  O11  1  0.708  0.307  0.778  1.0
  O  O12  1  0.764  0.707  0.712  1.0
[/CIF]
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