The compound described by MgCr2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a faceface with one Cr(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OMgCr2Fe2 trigonal bipyramids that share  a cornercorner with one O(6)MgCr2Fe2 trigonal bipyramid, corners with two equivalent O(4)Cr2Fe2 trigonal pyramids, edges with two equivalent O(6)MgCr2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Cr2Fe2 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OCr2Fe2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OMgCr2Fe2 trigonal bipyramids that share  a cornercorner with one O(2)MgCr2Fe2 trigonal bipyramid, corners with two equivalent O(4)Cr2Fe2 trigonal pyramids, edges with two equivalent O(2)MgCr2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Cr2Fe2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgCr2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.418
_cell_length_c   5.677
_cell_angle_alpha   63.919
_cell_angle_beta   64.830
_cell_angle_gamma   58.533
_symmetry_Int_Tables_number   1
_cell_volume   119.389
_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  0.220  0.221  0.375  1.0
  Cr  Cr1  1  0.478  0.473  0.568  1.0
  Cr  Cr2  1  0.667  0.663  0.003  1.0
  Fe  Fe3  1  0.009  0.016  0.942  1.0
  Fe  Fe4  1  0.844  0.851  0.461  1.0
  O  O5  1  0.875  0.267  0.271  1.0
  O  O6  1  0.265  0.612  0.247  1.0
  O  O7  1  0.616  0.920  0.209  1.0
  O  O8  1  0.048  0.745  0.751  1.0
  O  O9  1  0.780  0.450  0.727  1.0
  O  O10  1  0.435  0.033  0.719  1.0
[/CIF]
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The compound described by MgCr2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a faceface with one Cr(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OMgCr2Fe2 trigonal bipyramids that share  a cornercorner with one O(6)MgCr2Fe2 trigonal bipyramid, corners with two equivalent O(4)Cr2Fe2 trigonal pyramids, edges with two equivalent O(6)MgCr2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Cr2Fe2 trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OCr2Fe2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Cr(1), one Cr(2), one Fe(1), and one Fe(2) atom to form distorted OMgCr2Fe2 trigonal bipyramids that share  a cornercorner with one O(2)MgCr2Fe2 trigonal bipyramid, corners with two equivalent O(4)Cr2Fe2 trigonal pyramids, edges with two equivalent O(2)MgCr2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Cr2Fe2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgCr2(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.418
_cell_length_c   5.677
_cell_angle_alpha   63.919
_cell_angle_beta   64.830
_cell_angle_gamma   58.533
_symmetry_Int_Tables_number   1
_cell_volume   119.389
_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  0.220  0.221  0.375  1.0
  Cr  Cr1  1  0.478  0.473  0.568  1.0
  Cr  Cr2  1  0.667  0.663  0.003  1.0
  Fe  Fe3  1  0.009  0.016  0.942  1.0
  Fe  Fe4  1  0.844  0.851  0.461  1.0
  O  O5  1  0.875  0.267  0.271  1.0
  O  O6  1  0.265  0.612  0.247  1.0
  O  O7  1  0.616  0.920  0.209  1.0
  O  O8  1  0.048  0.745  0.751  1.0
  O  O9  1  0.780  0.450  0.727  1.0
  O  O10  1  0.435  0.033  0.719  1.0
[/CIF]
.