The material structure described by MgTa2(ReO6)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Re(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Re(1) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_MgTa2(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.213
_cell_length_b   5.480
_cell_length_c   7.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.976
_symmetry_Int_Tables_number   1
_cell_volume   215.538
_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  0.021  0.942  0.250  1.0
  Ta  Ta1  1  0.003  0.495  0.997  1.0
  Ta  Ta2  1  0.003  0.495  0.503  1.0
  Re  Re3  1  0.504  0.003  0.995  1.0
  Re  Re4  1  0.504  0.003  0.505  1.0
  O  O5  1  0.785  0.794  0.541  1.0
  O  O6  1  0.286  0.733  0.452  1.0
  O  O7  1  0.192  0.191  0.438  1.0
  O  O8  1  0.694  0.286  0.962  1.0
  O  O9  1  0.100  0.478  0.750  1.0
  O  O10  1  0.694  0.286  0.538  1.0
  O  O11  1  0.286  0.733  0.048  1.0
  O  O12  1  0.785  0.794  0.959  1.0
  O  O13  1  0.620  0.010  0.250  1.0
  O  O14  1  0.192  0.191  0.062  1.0
  O  O15  1  0.426  0.994  0.750  1.0
  O  O16  1  0.918  0.548  0.250  1.0
[/CIF]
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The material structure described by MgTa2(ReO6)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ta(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Re(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Re(1) atoms. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_MgTa2(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.213
_cell_length_b   5.480
_cell_length_c   7.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.976
_symmetry_Int_Tables_number   1
_cell_volume   215.538
_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  0.021  0.942  0.250  1.0
  Ta  Ta1  1  0.003  0.495  0.997  1.0
  Ta  Ta2  1  0.003  0.495  0.503  1.0
  Re  Re3  1  0.504  0.003  0.995  1.0
  Re  Re4  1  0.504  0.003  0.505  1.0
  O  O5  1  0.785  0.794  0.541  1.0
  O  O6  1  0.286  0.733  0.452  1.0
  O  O7  1  0.192  0.191  0.438  1.0
  O  O8  1  0.694  0.286  0.962  1.0
  O  O9  1  0.100  0.478  0.750  1.0
  O  O10  1  0.694  0.286  0.538  1.0
  O  O11  1  0.286  0.733  0.048  1.0
  O  O12  1  0.785  0.794  0.959  1.0
  O  O13  1  0.620  0.010  0.250  1.0
  O  O14  1  0.192  0.191  0.062  1.0
  O  O15  1  0.426  0.994  0.750  1.0
  O  O16  1  0.918  0.548  0.250  1.0
[/CIF]
.