The material described by Mg2WMnO6 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. 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 W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMg2MnW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMg2MnW tetrahedra. is represented by the CIF file [CIF]
data_Mg2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   5.391
_cell_length_c   7.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   223.546
_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  0.005  0.038  0.272  1.0
  Mg  Mg1  1  0.495  0.538  0.228  1.0
  Mg  Mg2  1  0.996  0.962  0.728  1.0
  Mg  Mg3  1  0.504  0.462  0.772  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  1.000  0.000  1.0
  W  W6  1  0.500  1.000  0.500  1.0
  W  W7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.652  0.300  0.404  1.0
  O  O9  1  0.848  0.800  0.096  1.0
  O  O10  1  0.348  0.700  0.596  1.0
  O  O11  1  0.152  0.200  0.904  1.0
  O  O12  1  0.181  0.166  0.545  1.0
  O  O13  1  0.319  0.666  0.954  1.0
  O  O14  1  0.819  0.834  0.454  1.0
  O  O15  1  0.681  0.334  0.045  1.0
  O  O16  1  0.129  0.400  0.226  1.0
  O  O17  1  0.371  0.900  0.274  1.0
  O  O18  1  0.629  0.100  0.726  1.0
  O  O19  1  0.871  0.600  0.774  1.0
[/CIF]
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The material described by Mg2WMnO6 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. 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 W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMg2MnW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OMg2MnW tetrahedra. is represented by the CIF file [CIF]
data_Mg2MnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.269
_cell_length_b   5.391
_cell_length_c   7.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   223.546
_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  0.005  0.038  0.272  1.0
  Mg  Mg1  1  0.495  0.538  0.228  1.0
  Mg  Mg2  1  0.996  0.962  0.728  1.0
  Mg  Mg3  1  0.504  0.462  0.772  1.0
  Mn  Mn4  1  1.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  1.000  0.000  1.0
  W  W6  1  0.500  1.000  0.500  1.0
  W  W7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.652  0.300  0.404  1.0
  O  O9  1  0.848  0.800  0.096  1.0
  O  O10  1  0.348  0.700  0.596  1.0
  O  O11  1  0.152  0.200  0.904  1.0
  O  O12  1  0.181  0.166  0.545  1.0
  O  O13  1  0.319  0.666  0.954  1.0
  O  O14  1  0.819  0.834  0.454  1.0
  O  O15  1  0.681  0.334  0.045  1.0
  O  O16  1  0.129  0.400  0.226  1.0
  O  O17  1  0.371  0.900  0.274  1.0
  O  O18  1  0.629  0.100  0.726  1.0
  O  O19  1  0.871  0.600  0.774  1.0
[/CIF]
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