The compound described by MgCo(ReO4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Re(1)O4 tetrahedra and faces with two equivalent Co(1)O6 octahedra. Re(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ReO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O4 tetrahedra and faces with two equivalent Mg(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Re(1), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Re(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Re(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo(ReO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.835
_cell_length_b   5.847
_cell_length_c   5.615
_cell_angle_alpha   89.168
_cell_angle_beta   90.106
_cell_angle_gamma   119.675
_symmetry_Int_Tables_number   1
_cell_volume   166.414
_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  0.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Re  Re2  1  0.665  0.332  0.679  1.0
  Re  Re3  1  0.335  0.668  0.321  1.0
  O  O4  1  0.664  0.338  0.368  1.0
  O  O5  1  0.336  0.662  0.632  1.0
  O  O6  1  0.841  0.676  0.756  1.0
  O  O7  1  0.318  0.153  0.757  1.0
  O  O8  1  0.682  0.847  0.243  1.0
  O  O9  1  0.163  0.846  0.247  1.0
  O  O10  1  0.159  0.324  0.244  1.0
  O  O11  1  0.837  0.154  0.753  1.0
[/CIF]
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The compound described by MgCo(ReO4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Re(1)O4 tetrahedra and faces with two equivalent Co(1)O6 octahedra. Re(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ReO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Re(1)O4 tetrahedra and faces with two equivalent Mg(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Re(1), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Re(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Re(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo(ReO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.835
_cell_length_b   5.847
_cell_length_c   5.615
_cell_angle_alpha   89.168
_cell_angle_beta   90.106
_cell_angle_gamma   119.675
_symmetry_Int_Tables_number   1
_cell_volume   166.414
_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  0.000  0.000  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Re  Re2  1  0.665  0.332  0.679  1.0
  Re  Re3  1  0.335  0.668  0.321  1.0
  O  O4  1  0.664  0.338  0.368  1.0
  O  O5  1  0.336  0.662  0.632  1.0
  O  O6  1  0.841  0.676  0.756  1.0
  O  O7  1  0.318  0.153  0.757  1.0
  O  O8  1  0.682  0.847  0.243  1.0
  O  O9  1  0.163  0.846  0.247  1.0
  O  O10  1  0.159  0.324  0.244  1.0
  O  O11  1  0.837  0.154  0.753  1.0
[/CIF]
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