The material structure described by MgWCrO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(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. W(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 WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. Cr(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 CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.438
_cell_length_c   7.502
_cell_angle_alpha   86.239
_cell_angle_beta   133.547
_cell_angle_gamma   61.041
_symmetry_Int_Tables_number   1
_cell_volume   104.473
_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  0.003  0.543  0.791  1.0
  Cr  Cr1  1  0.024  0.953  0.515  1.0
  W  W2  1  0.012  0.964  0.005  1.0
  O  O3  1  0.257  0.824  0.369  1.0
  O  O4  1  0.821  0.025  0.661  1.0
  O  O5  1  0.372  0.452  0.743  1.0
  O  O6  1  0.372  0.074  0.119  1.0
  O  O7  1  0.589  0.856  0.829  1.0
  O  O8  1  0.566  0.446  0.227  1.0
[/CIF]
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The material structure described by MgWCrO6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. Mg(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. W(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 WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. Cr(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 CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.438
_cell_length_c   7.502
_cell_angle_alpha   86.239
_cell_angle_beta   133.547
_cell_angle_gamma   61.041
_symmetry_Int_Tables_number   1
_cell_volume   104.473
_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  0.003  0.543  0.791  1.0
  Cr  Cr1  1  0.024  0.953  0.515  1.0
  W  W2  1  0.012  0.964  0.005  1.0
  O  O3  1  0.257  0.824  0.369  1.0
  O  O4  1  0.821  0.025  0.661  1.0
  O  O5  1  0.372  0.452  0.743  1.0
  O  O6  1  0.372  0.074  0.119  1.0
  O  O7  1  0.589  0.856  0.829  1.0
  O  O8  1  0.566  0.446  0.227  1.0
[/CIF]
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