The compound described by La5Re3NiO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form ReO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Ni(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(2)La3Re tetrahedra and corners with three equivalent O(3)La2ReNi tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), one Re(2), and one Ni(1) atom to form distorted OLa2ReNi tetrahedra that share  a cornercorner with one O(3)La2ReNi tetrahedra and corners with three equivalent O(2)La3Re tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(3), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(2), one Re(1), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Re(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5Re3NiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.686
_cell_length_c   10.245
_cell_angle_alpha   93.523
_cell_angle_beta   93.443
_cell_angle_gamma   90.566
_symmetry_Int_Tables_number   1
_cell_volume   329.152
_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
  La  La0  1  1.000  1.000  0.500  1.0
  La  La1  1  0.513  0.026  0.196  1.0
  La  La2  1  0.487  0.974  0.804  1.0
  La  La3  1  0.034  0.506  0.205  1.0
  La  La4  1  0.966  0.494  0.795  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.310  0.304  0.435  1.0
  O  O7  1  0.690  0.696  0.565  1.0
  O  O8  1  0.224  0.219  0.676  1.0
  O  O9  1  0.776  0.781  0.324  1.0
  O  O10  1  0.545  0.549  0.803  1.0
  O  O11  1  0.455  0.451  0.197  1.0
  O  O12  1  0.928  0.921  0.816  1.0
  O  O13  1  0.072  0.079  0.184  1.0
  O  O14  1  0.704  0.232  0.637  1.0
  O  O15  1  0.296  0.768  0.363  1.0
  O  O16  1  0.223  0.696  0.634  1.0
  O  O17  1  0.777  0.304  0.366  1.0
  O  O18  1  0.305  0.811  1.000  1.0
  O  O19  1  0.695  0.189  0.000  1.0
  O  O20  1  0.818  0.713  0.037  1.0
  O  O21  1  0.182  0.287  0.963  1.0
  Re  Re22  1  0.000  0.000  1.000  1.0
  Re  Re23  1  0.444  0.444  0.606  1.0
  Re  Re24  1  0.556  0.556  0.394  1.0
[/CIF]
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The compound described by La5Re3NiO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form ReO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Ni(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(2)La3Re tetrahedra and corners with three equivalent O(3)La2ReNi tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), one Re(2), and one Ni(1) atom to form distorted OLa2ReNi tetrahedra that share  a cornercorner with one O(3)La2ReNi tetrahedra and corners with three equivalent O(2)La3Re tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(3), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(2), one Re(1), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Re(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5Re3NiO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.686
_cell_length_c   10.245
_cell_angle_alpha   93.523
_cell_angle_beta   93.443
_cell_angle_gamma   90.566
_symmetry_Int_Tables_number   1
_cell_volume   329.152
_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
  La  La0  1  1.000  1.000  0.500  1.0
  La  La1  1  0.513  0.026  0.196  1.0
  La  La2  1  0.487  0.974  0.804  1.0
  La  La3  1  0.034  0.506  0.205  1.0
  La  La4  1  0.966  0.494  0.795  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.310  0.304  0.435  1.0
  O  O7  1  0.690  0.696  0.565  1.0
  O  O8  1  0.224  0.219  0.676  1.0
  O  O9  1  0.776  0.781  0.324  1.0
  O  O10  1  0.545  0.549  0.803  1.0
  O  O11  1  0.455  0.451  0.197  1.0
  O  O12  1  0.928  0.921  0.816  1.0
  O  O13  1  0.072  0.079  0.184  1.0
  O  O14  1  0.704  0.232  0.637  1.0
  O  O15  1  0.296  0.768  0.363  1.0
  O  O16  1  0.223  0.696  0.634  1.0
  O  O17  1  0.777  0.304  0.366  1.0
  O  O18  1  0.305  0.811  1.000  1.0
  O  O19  1  0.695  0.189  0.000  1.0
  O  O20  1  0.818  0.713  0.037  1.0
  O  O21  1  0.182  0.287  0.963  1.0
  Re  Re22  1  0.000  0.000  1.000  1.0
  Re  Re23  1  0.444  0.444  0.606  1.0
  Re  Re24  1  0.556  0.556  0.394  1.0
[/CIF]
.