The crystal structure described by MgCr2O6 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.014
_cell_length_b   5.277
_cell_length_c   7.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.360
_cell_formula_units_Z   2
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  0.526  0.326  0.500  1.0
  Mg  Mg1  1  0.026  0.674  0.000  1.0
  Cr  Cr2  1  0.530  0.767  0.739  1.0
  Cr  Cr3  1  0.030  0.233  0.761  1.0
  Cr  Cr4  1  0.030  0.233  0.239  1.0
  Cr  Cr5  1  0.530  0.767  0.261  1.0
  O  O6  1  0.682  0.059  0.314  1.0
  O  O7  1  0.182  0.941  0.186  1.0
  O  O8  1  0.770  0.535  0.693  1.0
  O  O9  1  0.270  0.465  0.807  1.0
  O  O10  1  0.270  0.465  0.193  1.0
  O  O11  1  0.770  0.535  0.307  1.0
  O  O12  1  0.182  0.941  0.814  1.0
  O  O13  1  0.682  0.059  0.686  1.0
  O  O14  1  0.134  0.229  0.500  1.0
  O  O15  1  0.634  0.771  0.000  1.0
  O  O16  1  0.388  0.729  0.500  1.0
  O  O17  1  0.888  0.271  0.000  1.0
[/CIF]
.
The crystal structure described by MgCr2O6 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-47°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.014
_cell_length_b   5.277
_cell_length_c   7.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.360
_cell_formula_units_Z   2
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  0.526  0.326  0.500  1.0
  Mg  Mg1  1  0.026  0.674  0.000  1.0
  Cr  Cr2  1  0.530  0.767  0.739  1.0
  Cr  Cr3  1  0.030  0.233  0.761  1.0
  Cr  Cr4  1  0.030  0.233  0.239  1.0
  Cr  Cr5  1  0.530  0.767  0.261  1.0
  O  O6  1  0.682  0.059  0.314  1.0
  O  O7  1  0.182  0.941  0.186  1.0
  O  O8  1  0.770  0.535  0.693  1.0
  O  O9  1  0.270  0.465  0.807  1.0
  O  O10  1  0.270  0.465  0.193  1.0
  O  O11  1  0.770  0.535  0.307  1.0
  O  O12  1  0.182  0.941  0.814  1.0
  O  O13  1  0.682  0.059  0.686  1.0
  O  O14  1  0.134  0.229  0.500  1.0
  O  O15  1  0.634  0.771  0.000  1.0
  O  O16  1  0.388  0.729  0.500  1.0
  O  O17  1  0.888  0.271  0.000  1.0
[/CIF]
.