The material structure described by MgRe2NiO8 crystallizes in the trigonal P3 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one Re(2)O4 tetrahedra, and corners with three equivalent Re(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(2) and three equivalent O(4) atoms to form ReO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Re site, Re(2) is bonded to one O(1) and three equivalent O(3) atoms to form ReO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ni(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Re(1)O4 tetrahedra, and corners with three equivalent Re(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one Re(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Re(2) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Re(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgRe2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   7.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.133
_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  0.667  0.333  0.215  1.0
  Re  Re1  1  0.333  0.667  0.253  1.0
  Re  Re2  1  0.667  0.333  0.735  1.0
  Ni  Ni3  1  0.000  0.000  0.001  1.0
  O  O4  1  0.667  0.333  0.488  1.0
  O  O5  1  0.333  0.667  0.492  1.0
  O  O6  1  0.726  0.066  0.828  1.0
  O  O7  1  0.028  0.338  0.157  1.0
  O  O8  1  0.662  0.691  0.157  1.0
  O  O9  1  0.309  0.972  0.157  1.0
  O  O10  1  0.934  0.660  0.828  1.0
  O  O11  1  0.340  0.274  0.828  1.0
[/CIF]
.
The material structure described by MgRe2NiO8 crystallizes in the trigonal P3 space group. Mg(1) is bonded to one O(1) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra,  a cornercorner with one Re(2)O4 tetrahedra, and corners with three equivalent Re(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(2) and three equivalent O(4) atoms to form ReO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Re site, Re(2) is bonded to one O(1) and three equivalent O(3) atoms to form ReO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Ni(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Re(1)O4 tetrahedra, and corners with three equivalent Re(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one Re(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Re(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Re(2) and one Ni(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Re(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_MgRe2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   7.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   183.133
_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  0.667  0.333  0.215  1.0
  Re  Re1  1  0.333  0.667  0.253  1.0
  Re  Re2  1  0.667  0.333  0.735  1.0
  Ni  Ni3  1  0.000  0.000  0.001  1.0
  O  O4  1  0.667  0.333  0.488  1.0
  O  O5  1  0.333  0.667  0.492  1.0
  O  O6  1  0.726  0.066  0.828  1.0
  O  O7  1  0.028  0.338  0.157  1.0
  O  O8  1  0.662  0.691  0.157  1.0
  O  O9  1  0.309  0.972  0.157  1.0
  O  O10  1  0.934  0.660  0.828  1.0
  O  O11  1  0.340  0.274  0.828  1.0
[/CIF]
.