The crystal structure described by Mg2TaWO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(2), one Ta(1), and one W(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Ta(1) atoms to form distorted OMg2Ta2 tetrahedra that share corners with two equivalent O(3)Mg2Ta2 tetrahedra and corners with two equivalent O(4)Mg2W2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent W(1) atoms to form distorted OMg2W2 tetrahedra that share corners with two equivalent O(3)Mg2Ta2 tetrahedra and corners with two equivalent O(4)Mg2W2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2TaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   5.366
_cell_length_c   5.461
_cell_angle_alpha   88.451
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.193
_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  0.750  0.007  0.033  1.0
  Mg  Mg1  1  0.750  0.496  0.545  1.0
  Mg  Mg2  1  0.250  0.504  0.455  1.0
  Mg  Mg3  1  0.250  0.993  0.967  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.500  0.000  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.430  0.155  0.185  1.0
  O  O9  1  0.569  0.689  0.336  1.0
  O  O10  1  0.570  0.845  0.815  1.0
  O  O11  1  0.069  0.311  0.664  1.0
  O  O12  1  0.250  0.872  0.574  1.0
  O  O13  1  0.431  0.311  0.664  1.0
  O  O14  1  0.931  0.689  0.336  1.0
  O  O15  1  0.070  0.155  0.185  1.0
  O  O16  1  0.750  0.361  0.902  1.0
  O  O17  1  0.930  0.845  0.815  1.0
  O  O18  1  0.250  0.639  0.098  1.0
  O  O19  1  0.750  0.128  0.426  1.0
[/CIF]
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The crystal structure described by Mg2TaWO6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ta(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(2), one Ta(1), and one W(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Ta(1) atoms to form distorted OMg2Ta2 tetrahedra that share corners with two equivalent O(3)Mg2Ta2 tetrahedra and corners with two equivalent O(4)Mg2W2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent W(1) atoms to form distorted OMg2W2 tetrahedra that share corners with two equivalent O(3)Mg2Ta2 tetrahedra and corners with two equivalent O(4)Mg2W2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2TaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   5.366
_cell_length_c   5.461
_cell_angle_alpha   88.451
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.193
_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  0.750  0.007  0.033  1.0
  Mg  Mg1  1  0.750  0.496  0.545  1.0
  Mg  Mg2  1  0.250  0.504  0.455  1.0
  Mg  Mg3  1  0.250  0.993  0.967  1.0
  Ta  Ta4  1  0.000  0.000  0.500  1.0
  Ta  Ta5  1  0.500  0.000  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.430  0.155  0.185  1.0
  O  O9  1  0.569  0.689  0.336  1.0
  O  O10  1  0.570  0.845  0.815  1.0
  O  O11  1  0.069  0.311  0.664  1.0
  O  O12  1  0.250  0.872  0.574  1.0
  O  O13  1  0.431  0.311  0.664  1.0
  O  O14  1  0.931  0.689  0.336  1.0
  O  O15  1  0.070  0.155  0.185  1.0
  O  O16  1  0.750  0.361  0.902  1.0
  O  O17  1  0.930  0.845  0.815  1.0
  O  O18  1  0.250  0.639  0.098  1.0
  O  O19  1  0.750  0.128  0.426  1.0
[/CIF]
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