The material structure described by NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Re(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(2)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third Re site, Re(3) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra, corners with three equivalent Re(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the fourth Re site, Re(4) is bonded to one O(1), one O(10), one O(12), one O(2), and two equivalent O(11) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Re(4)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(7), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(4)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(3) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped 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 T-shaped 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 T-shaped geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Re(3) and two equivalent Re(4) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(2) atom. is represented by the CIF file [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.465
_cell_length_b   11.264
_cell_length_c   5.556
_cell_angle_alpha   75.435
_cell_angle_beta   88.361
_cell_angle_gamma   29.532
_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  0.184  0.225  0.775  1.0
  Re  Re1  1  0.149  0.775  0.225  1.0
  Re  Re2  1  0.510  0.231  0.777  1.0
  Re  Re3  1  0.660  0.262  0.263  1.0
  Re  Re4  1  0.473  0.787  0.219  1.0
  Re  Re5  1  0.860  0.213  0.781  1.0
  Re  Re6  1  0.673  0.738  0.737  1.0
  Re  Re7  1  0.823  0.769  0.223  1.0
  Ni  Ni8  1  0.325  0.268  0.259  1.0
  Ni  Ni9  1  0.008  0.732  0.742  1.0
  Ni  Ni10  1  0.336  0.741  0.731  1.0
  Ni  Ni11  1  0.997  0.259  0.269  1.0
  O  O12  1  0.030  0.098  0.621  1.0
  O  O13  1  0.321  0.121  0.114  1.0
  O  O14  1  1.000  0.591  0.590  1.0
  O  O15  1  0.379  0.077  0.635  1.0
  O  O16  1  0.018  0.619  0.099  1.0
  O  O17  1  0.316  0.381  0.901  1.0
  O  O18  1  0.334  0.409  0.410  1.0
  O  O19  1  0.012  0.879  0.886  1.0
  O  O20  1  0.660  0.117  0.118  1.0
  O  O21  1  0.332  0.591  0.595  1.0
  O  O22  1  0.362  0.607  0.107  1.0
  O  O23  1  0.690  0.113  0.605  1.0
  O  O24  1  0.303  0.902  0.379  1.0
  O  O25  1  0.662  0.364  0.921  1.0
  O  O26  1  0.666  0.405  0.407  1.0
  O  O27  1  0.337  0.888  0.883  1.0
  O  O28  1  0.996  0.112  0.117  1.0
  O  O29  1  0.667  0.596  0.593  1.0
  O  O30  1  0.672  0.636  0.079  1.0
  O  O31  1  0.971  0.393  0.892  1.0
  O  O32  1  0.644  0.887  0.395  1.0
  O  O33  1  0.002  0.409  0.405  1.0
  O  O34  1  0.673  0.883  0.881  1.0
  O  O35  1  0.955  0.923  0.365  1.0
[/CIF]
.
The material structure described by NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Re(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(2)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Re site, Re(2) is bonded to one O(3), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the third Re site, Re(3) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra, corners with three equivalent Re(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the fourth Re site, Re(4) is bonded to one O(1), one O(10), one O(12), one O(2), and two equivalent O(11) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Re(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), one O(4), one O(9), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Re(4)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(7), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra, corners with three equivalent Re(1)O6 octahedra, corners with four equivalent Re(4)O6 octahedra,  an edgeedge with one Re(3)O6 octahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(4) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Re(1), one Re(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Re(2) and two equivalent Ni(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(3) and two equivalent Re(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Re(1), one Re(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped 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 T-shaped 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 T-shaped geometry to one Re(3), one Re(4), and one Ni(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Re(3) and two equivalent Re(4) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Ni(2) atom. is represented by the CIF file [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.465
_cell_length_b   11.264
_cell_length_c   5.556
_cell_angle_alpha   75.435
_cell_angle_beta   88.361
_cell_angle_gamma   29.532
_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  0.184  0.225  0.775  1.0
  Re  Re1  1  0.149  0.775  0.225  1.0
  Re  Re2  1  0.510  0.231  0.777  1.0
  Re  Re3  1  0.660  0.262  0.263  1.0
  Re  Re4  1  0.473  0.787  0.219  1.0
  Re  Re5  1  0.860  0.213  0.781  1.0
  Re  Re6  1  0.673  0.738  0.737  1.0
  Re  Re7  1  0.823  0.769  0.223  1.0
  Ni  Ni8  1  0.325  0.268  0.259  1.0
  Ni  Ni9  1  0.008  0.732  0.742  1.0
  Ni  Ni10  1  0.336  0.741  0.731  1.0
  Ni  Ni11  1  0.997  0.259  0.269  1.0
  O  O12  1  0.030  0.098  0.621  1.0
  O  O13  1  0.321  0.121  0.114  1.0
  O  O14  1  1.000  0.591  0.590  1.0
  O  O15  1  0.379  0.077  0.635  1.0
  O  O16  1  0.018  0.619  0.099  1.0
  O  O17  1  0.316  0.381  0.901  1.0
  O  O18  1  0.334  0.409  0.410  1.0
  O  O19  1  0.012  0.879  0.886  1.0
  O  O20  1  0.660  0.117  0.118  1.0
  O  O21  1  0.332  0.591  0.595  1.0
  O  O22  1  0.362  0.607  0.107  1.0
  O  O23  1  0.690  0.113  0.605  1.0
  O  O24  1  0.303  0.902  0.379  1.0
  O  O25  1  0.662  0.364  0.921  1.0
  O  O26  1  0.666  0.405  0.407  1.0
  O  O27  1  0.337  0.888  0.883  1.0
  O  O28  1  0.996  0.112  0.117  1.0
  O  O29  1  0.667  0.596  0.593  1.0
  O  O30  1  0.672  0.636  0.079  1.0
  O  O31  1  0.971  0.393  0.892  1.0
  O  O32  1  0.644  0.887  0.395  1.0
  O  O33  1  0.002  0.409  0.405  1.0
  O  O34  1  0.673  0.883  0.881  1.0
  O  O35  1  0.955  0.923  0.365  1.0
[/CIF]
.