The material structure described by MgCrSiO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. 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 corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.304
_cell_length_b   5.304
_cell_length_c   6.923
_cell_angle_alpha   75.023
_cell_angle_beta   75.023
_cell_angle_gamma   104.220
_symmetry_Int_Tables_number   1
_cell_volume   171.277
_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  0.829  0.171  0.750  1.0
  Mg  Mg1  1  0.171  0.829  0.250  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Si  Si4  1  0.177  0.823  0.750  1.0
  Si  Si5  1  0.823  0.177  0.250  1.0
  O  O6  1  0.394  0.825  0.878  1.0
  O  O7  1  0.175  0.606  0.622  1.0
  O  O8  1  0.606  0.175  0.122  1.0
  O  O9  1  0.825  0.394  0.378  1.0
  O  O10  1  0.777  0.861  0.405  1.0
  O  O11  1  0.139  0.223  0.095  1.0
  O  O12  1  0.223  0.139  0.595  1.0
  O  O13  1  0.861  0.777  0.905  1.0
  O  O14  1  0.419  0.581  0.250  1.0
  O  O15  1  0.581  0.419  0.750  1.0
[/CIF]
.
The material structure described by MgCrSiO5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. 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 corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.304
_cell_length_b   5.304
_cell_length_c   6.923
_cell_angle_alpha   75.023
_cell_angle_beta   75.023
_cell_angle_gamma   104.220
_symmetry_Int_Tables_number   1
_cell_volume   171.277
_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  0.829  0.171  0.750  1.0
  Mg  Mg1  1  0.171  0.829  0.250  1.0
  Cr  Cr2  1  0.500  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Si  Si4  1  0.177  0.823  0.750  1.0
  Si  Si5  1  0.823  0.177  0.250  1.0
  O  O6  1  0.394  0.825  0.878  1.0
  O  O7  1  0.175  0.606  0.622  1.0
  O  O8  1  0.606  0.175  0.122  1.0
  O  O9  1  0.825  0.394  0.378  1.0
  O  O10  1  0.777  0.861  0.405  1.0
  O  O11  1  0.139  0.223  0.095  1.0
  O  O12  1  0.223  0.139  0.595  1.0
  O  O13  1  0.861  0.777  0.905  1.0
  O  O14  1  0.419  0.581  0.250  1.0
  O  O15  1  0.581  0.419  0.750  1.0
[/CIF]
.