The compound described by Sr3NiInO6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and three equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(6), and three equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted InO6 pentagonal pyramids that share  a faceface with one Ni(1)O6 octahedra and  a faceface with one Ni(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to one Sr(3), three equivalent Sr(1), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to one Sr(3), three equivalent Sr(2), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3InNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   9.363
_cell_length_c   9.656
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   93.455
_symmetry_Int_Tables_number   1
_cell_volume   597.733
_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
  Sr  Sr0  1  0.615  0.558  0.686  1.0
  Sr  Sr1  1  0.624  0.073  0.186  1.0
  Sr  Sr2  1  0.885  0.442  0.186  1.0
  Sr  Sr3  1  0.876  0.927  0.686  1.0
  Sr  Sr4  1  0.259  0.756  0.129  1.0
  Sr  Sr5  1  0.241  0.244  0.629  1.0
  Sr  Sr6  1  0.115  0.558  0.814  1.0
  Sr  Sr7  1  0.124  0.073  0.314  1.0
  Sr  Sr8  1  0.741  0.244  0.871  1.0
  Sr  Sr9  1  0.759  0.756  0.371  1.0
  Sr  Sr10  1  0.385  0.442  0.314  1.0
  Sr  Sr11  1  0.376  0.927  0.814  1.0
  In  In12  1  0.246  0.252  0.998  1.0
  In  In13  1  0.254  0.748  0.498  1.0
  In  In14  1  0.754  0.748  0.002  1.0
  In  In15  1  0.746  0.252  0.502  1.0
  Ni  Ni16  1  0.500  0.000  0.500  1.0
  Ni  Ni17  1  1.000  1.000  0.000  1.0
  Ni  Ni18  1  0.500  0.500  1.000  1.0
  Ni  Ni19  1  0.000  0.500  0.500  1.0
  O  O20  1  0.538  0.321  0.096  1.0
  O  O21  1  0.540  0.800  0.599  1.0
  O  O22  1  0.225  0.481  0.062  1.0
  O  O23  1  0.216  0.972  0.563  1.0
  O  O24  1  0.399  0.366  0.830  1.0
  O  O25  1  0.419  0.891  0.341  1.0
  O  O26  1  0.040  0.800  0.901  1.0
  O  O27  1  0.038  0.321  0.404  1.0
  O  O28  1  0.899  0.366  0.670  1.0
  O  O29  1  0.919  0.890  0.159  1.0
  O  O30  1  0.725  0.481  0.438  1.0
  O  O31  1  0.716  0.972  0.937  1.0
  O  O32  1  0.462  0.679  0.904  1.0
  O  O33  1  0.460  0.200  0.401  1.0
  O  O34  1  0.775  0.518  0.938  1.0
  O  O35  1  0.784  0.028  0.437  1.0
  O  O36  1  0.601  0.634  0.170  1.0
  O  O37  1  0.581  0.109  0.659  1.0
  O  O38  1  0.960  0.200  0.099  1.0
  O  O39  1  0.962  0.679  0.596  1.0
  O  O40  1  0.101  0.634  0.330  1.0
  O  O41  1  0.081  0.110  0.841  1.0
  O  O42  1  0.275  0.519  0.562  1.0
  O  O43  1  0.284  0.028  0.063  1.0
[/CIF]
.
The compound described by Sr3NiInO6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and three equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(6), and three equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share faces with two equivalent In(1)O6 pentagonal pyramids. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted InO6 pentagonal pyramids that share  a faceface with one Ni(1)O6 octahedra and  a faceface with one Ni(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to one Sr(3), three equivalent Sr(1), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded to one Sr(3), three equivalent Sr(2), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Ni(2), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Ni(1), and one In(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4InNi octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3InNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   9.363
_cell_length_c   9.656
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   93.455
_symmetry_Int_Tables_number   1
_cell_volume   597.733
_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
  Sr  Sr0  1  0.615  0.558  0.686  1.0
  Sr  Sr1  1  0.624  0.073  0.186  1.0
  Sr  Sr2  1  0.885  0.442  0.186  1.0
  Sr  Sr3  1  0.876  0.927  0.686  1.0
  Sr  Sr4  1  0.259  0.756  0.129  1.0
  Sr  Sr5  1  0.241  0.244  0.629  1.0
  Sr  Sr6  1  0.115  0.558  0.814  1.0
  Sr  Sr7  1  0.124  0.073  0.314  1.0
  Sr  Sr8  1  0.741  0.244  0.871  1.0
  Sr  Sr9  1  0.759  0.756  0.371  1.0
  Sr  Sr10  1  0.385  0.442  0.314  1.0
  Sr  Sr11  1  0.376  0.927  0.814  1.0
  In  In12  1  0.246  0.252  0.998  1.0
  In  In13  1  0.254  0.748  0.498  1.0
  In  In14  1  0.754  0.748  0.002  1.0
  In  In15  1  0.746  0.252  0.502  1.0
  Ni  Ni16  1  0.500  0.000  0.500  1.0
  Ni  Ni17  1  1.000  1.000  0.000  1.0
  Ni  Ni18  1  0.500  0.500  1.000  1.0
  Ni  Ni19  1  0.000  0.500  0.500  1.0
  O  O20  1  0.538  0.321  0.096  1.0
  O  O21  1  0.540  0.800  0.599  1.0
  O  O22  1  0.225  0.481  0.062  1.0
  O  O23  1  0.216  0.972  0.563  1.0
  O  O24  1  0.399  0.366  0.830  1.0
  O  O25  1  0.419  0.891  0.341  1.0
  O  O26  1  0.040  0.800  0.901  1.0
  O  O27  1  0.038  0.321  0.404  1.0
  O  O28  1  0.899  0.366  0.670  1.0
  O  O29  1  0.919  0.890  0.159  1.0
  O  O30  1  0.725  0.481  0.438  1.0
  O  O31  1  0.716  0.972  0.937  1.0
  O  O32  1  0.462  0.679  0.904  1.0
  O  O33  1  0.460  0.200  0.401  1.0
  O  O34  1  0.775  0.518  0.938  1.0
  O  O35  1  0.784  0.028  0.437  1.0
  O  O36  1  0.601  0.634  0.170  1.0
  O  O37  1  0.581  0.109  0.659  1.0
  O  O38  1  0.960  0.200  0.099  1.0
  O  O39  1  0.962  0.679  0.596  1.0
  O  O40  1  0.101  0.634  0.330  1.0
  O  O41  1  0.081  0.110  0.841  1.0
  O  O42  1  0.275  0.519  0.562  1.0
  O  O43  1  0.284  0.028  0.063  1.0
[/CIF]
.