The material described by NiRe2O6 crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the third Re site, Re(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Re site, Re(4) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(5) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and two equivalent O(1) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Re(1), one Re(4), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Re(2), one Re(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Ni(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Re(2), one Re(3), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Re(3), one Re(4), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Re(1), one Re(3), one Re(4), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   7.252
_cell_length_c   11.054
_cell_angle_alpha   107.613
_cell_angle_beta   91.580
_cell_angle_gamma   109.485
_symmetry_Int_Tables_number   1
_cell_volume   396.095
_cell_formula_units_Z   4
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
  Re  Re0  1  0.017  0.017  0.242  1.0
  Re  Re1  1  0.983  0.983  0.758  1.0
  Re  Re2  1  0.351  0.344  0.575  1.0
  Re  Re3  1  0.018  0.493  0.755  1.0
  Re  Re4  1  0.313  0.306  0.094  1.0
  Re  Re5  1  0.687  0.694  0.906  1.0
  Re  Re6  1  0.982  0.507  0.245  1.0
  Re  Re7  1  0.649  0.656  0.425  1.0
  Ni  Ni8  1  0.685  0.159  0.427  1.0
  Ni  Ni9  1  0.315  0.841  0.573  1.0
  Ni  Ni10  1  0.641  0.169  0.910  1.0
  Ni  Ni11  1  0.359  0.831  0.090  1.0
  O  O12  1  0.583  0.863  0.962  1.0
  O  O13  1  0.390  0.155  0.276  1.0
  O  O14  1  0.014  0.833  0.424  1.0
  O  O15  1  0.924  0.212  0.289  1.0
  O  O16  1  0.569  0.851  0.470  1.0
  O  O17  1  0.431  0.149  0.530  1.0
  O  O18  1  0.986  0.167  0.576  1.0
  O  O19  1  0.610  0.845  0.724  1.0
  O  O20  1  0.728  0.493  0.610  1.0
  O  O21  1  0.351  0.165  0.756  1.0
  O  O22  1  0.910  0.195  0.803  1.0
  O  O23  1  0.241  0.523  0.636  1.0
  O  O24  1  0.417  0.137  0.038  1.0
  O  O25  1  0.781  0.495  0.859  1.0
  O  O26  1  0.311  0.499  0.904  1.0
  O  O27  1  0.942  0.171  0.059  1.0
  O  O28  1  0.058  0.829  0.941  1.0
  O  O29  1  0.689  0.501  0.096  1.0
  O  O30  1  0.219  0.505  0.141  1.0
  O  O31  1  0.090  0.805  0.197  1.0
  O  O32  1  0.759  0.477  0.364  1.0
  O  O33  1  0.649  0.835  0.244  1.0
  O  O34  1  0.272  0.507  0.390  1.0
  O  O35  1  0.076  0.788  0.711  1.0
[/CIF]
.
The material described by NiRe2O6 crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the third Re site, Re(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Re site, Re(4) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(5) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(7), one O(8), and two equivalent O(1) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Re(1), one Re(4), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Re(2), one Re(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Ni(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Ni(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Re(2), one Re(3), and one Ni(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Re(3), one Re(4), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Re(1), one Re(3), one Re(4), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.556
_cell_length_b   7.252
_cell_length_c   11.054
_cell_angle_alpha   107.613
_cell_angle_beta   91.580
_cell_angle_gamma   109.485
_symmetry_Int_Tables_number   1
_cell_volume   396.095
_cell_formula_units_Z   4
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
  Re  Re0  1  0.017  0.017  0.242  1.0
  Re  Re1  1  0.983  0.983  0.758  1.0
  Re  Re2  1  0.351  0.344  0.575  1.0
  Re  Re3  1  0.018  0.493  0.755  1.0
  Re  Re4  1  0.313  0.306  0.094  1.0
  Re  Re5  1  0.687  0.694  0.906  1.0
  Re  Re6  1  0.982  0.507  0.245  1.0
  Re  Re7  1  0.649  0.656  0.425  1.0
  Ni  Ni8  1  0.685  0.159  0.427  1.0
  Ni  Ni9  1  0.315  0.841  0.573  1.0
  Ni  Ni10  1  0.641  0.169  0.910  1.0
  Ni  Ni11  1  0.359  0.831  0.090  1.0
  O  O12  1  0.583  0.863  0.962  1.0
  O  O13  1  0.390  0.155  0.276  1.0
  O  O14  1  0.014  0.833  0.424  1.0
  O  O15  1  0.924  0.212  0.289  1.0
  O  O16  1  0.569  0.851  0.470  1.0
  O  O17  1  0.431  0.149  0.530  1.0
  O  O18  1  0.986  0.167  0.576  1.0
  O  O19  1  0.610  0.845  0.724  1.0
  O  O20  1  0.728  0.493  0.610  1.0
  O  O21  1  0.351  0.165  0.756  1.0
  O  O22  1  0.910  0.195  0.803  1.0
  O  O23  1  0.241  0.523  0.636  1.0
  O  O24  1  0.417  0.137  0.038  1.0
  O  O25  1  0.781  0.495  0.859  1.0
  O  O26  1  0.311  0.499  0.904  1.0
  O  O27  1  0.942  0.171  0.059  1.0
  O  O28  1  0.058  0.829  0.941  1.0
  O  O29  1  0.689  0.501  0.096  1.0
  O  O30  1  0.219  0.505  0.141  1.0
  O  O31  1  0.090  0.805  0.197  1.0
  O  O32  1  0.759  0.477  0.364  1.0
  O  O33  1  0.649  0.835  0.244  1.0
  O  O34  1  0.272  0.507  0.390  1.0
  O  O35  1  0.076  0.788  0.711  1.0
[/CIF]
.