The structure described by Ba3Y5(NiO5)3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to one O(7), one O(9), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Ni site, Ni(3) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), one Y(1), one Y(2), and one Ni(3) atom to form distorted OBa2Y2Ni square pyramids that share corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with three equivalent O(5)Ba2Y2Ni square pyramids, corners with four equivalent O(4)Ba2Y2Ni square pyramids,  an edgeedge with one O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  a faceface with one O(1)Ba2Y2Ni square pyramid,  a faceface with one O(5)Ba2Y2Ni square pyramid, and  a faceface with one O(8)Ba2YNi2 square pyramid. The corner-sharing octahedral tilt angles range from 38-66°. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Y(1), one Y(3), one Y(4), and one Ni(1) atom to form distorted OBa2Y3Ni octahedra that share corners with two equivalent O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with three equivalent O(4)Ba2Y2Ni square pyramids,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid, edges with two equivalent O(4)Ba2Y2Ni square pyramids,  a faceface with one O(7)Ba2Y2Ni2 octahedra, faces with two equivalent O(2)Ba2Y3Ni octahedra,  a faceface with one O(4)Ba2Y2Ni square pyramid, and  a faceface with one O(8)Ba2YNi2 square pyramid. The corner-sharing octahedral tilt angles range from 32-68°. In the third O site, O(3) is bonded to one Ba(1), one Ba(3), one Y(2), one Y(3), one Y(5), and one Ni(2) atom to form distorted OBa2Y3Ni octahedra that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(4)Ba2Y2Ni square pyramids, corners with four equivalent O(5)Ba2Y2Ni square pyramids,  an edgeedge with one O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  a faceface with one O(7)Ba2Y2Ni2 octahedra, and faces with two equivalent O(3)Ba2Y3Ni octahedra. The corner-sharing octahedral tilt angles range from 32-68°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Y(1), one Y(4), and one Ni(1) atom to form distorted OBa2Y2Ni square pyramids that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra, corners with three equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with two equivalent O(8)Ba2YNi2 square pyramids, corners with four equivalent O(1)Ba2Y2Ni square pyramids, edges with two equivalent O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(4)Ba2Y2Ni square pyramid,  an edgeedge with one O(8)Ba2YNi2 square pyramid,  a faceface with one O(7)Ba2Y2Ni2 octahedra,  a faceface with one O(2)Ba2Y3Ni octahedra, and  a faceface with one O(4)Ba2Y2Ni square pyramid. The corner-sharing octahedral tilt angles range from 2-64°. In the fifth O site, O(5) is bonded to one Ba(2), one Ba(3), one Y(2), one Y(5), and one Ni(3) atom to form distorted OBa2Y2Ni square pyramids that share corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with four equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(4)Ba2Y2Ni square pyramids, corners with three equivalent O(1)Ba2Y2Ni square pyramids,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  an edgeedge with one O(8)Ba2YNi2 square pyramid,  a faceface with one O(1)Ba2Y2Ni square pyramid, and  a faceface with one O(5)Ba2Y2Ni square pyramid. The corner-sharing octahedral tilt angles range from 6-64°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(3), one Y(4), one Y(5), and one Ni(2) atom. In the seventh O site, O(7) is bonded to two equivalent Ba(1), one Y(3), one Y(4), one Ni(1), and one Ni(2) atom to form distorted OBa2Y2Ni2 octahedra that share corners with two equivalent O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra, corners with four equivalent O(2)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(4)Ba2Y2Ni square pyramids, faces with two equivalent O(2)Ba2Y3Ni octahedra, faces with two equivalent O(3)Ba2Y3Ni octahedra, and faces with two equivalent O(4)Ba2Y2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-59°. In the eighth O site, O(8) is bonded to two equivalent Ba(2), one Y(1), one Ni(1), and one Ni(3) atom to form distorted OBa2YNi2 square pyramids that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with two equivalent O(8)Ba2YNi2 square pyramids, corners with four equivalent O(4)Ba2Y2Ni square pyramids, edges with two equivalent O(4)Ba2Y2Ni square pyramids, edges with two equivalent O(5)Ba2Y2Ni square pyramids, faces with two equivalent O(2)Ba2Y3Ni octahedra, and faces with two equivalent O(1)Ba2Y2Ni square pyramids. The corner-sharing octahedral tilt angles range from 12-61°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one Y(2), one Y(5), one Ni(2), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Y5(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.627
_cell_length_b   6.627
_cell_length_c   11.323
_cell_angle_alpha   73.307
_cell_angle_beta   73.307
_cell_angle_gamma   51.941
_symmetry_Int_Tables_number   1
_cell_volume   370.972
_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
  Ba  Ba0  1  0.002  0.002  0.000  1.0
  Ba  Ba1  1  0.994  0.994  0.337  1.0
  Ba  Ba2  1  0.010  0.010  0.658  1.0
  Y  Y3  1  0.706  0.706  0.262  1.0
  Y  Y4  1  0.710  0.710  0.597  1.0
  Y  Y5  1  0.707  0.707  0.934  1.0
  Y  Y6  1  0.295  0.295  0.070  1.0
  Y  Y7  1  0.297  0.297  0.734  1.0
  Ni  Ni8  1  0.486  0.486  0.175  1.0
  Ni  Ni9  1  0.501  0.501  0.834  1.0
  Ni  Ni10  1  0.492  0.492  0.501  1.0
  O  O11  1  0.412  0.839  0.456  1.0
  O  O12  1  0.839  0.412  0.456  1.0
  O  O13  1  0.409  0.884  0.118  1.0
  O  O14  1  0.415  0.882  0.783  1.0
  O  O15  1  0.611  0.108  0.196  1.0
  O  O16  1  0.608  0.116  0.563  1.0
  O  O17  1  0.589  0.118  0.883  1.0
  O  O18  1  0.108  0.611  0.196  1.0
  O  O19  1  0.116  0.608  0.563  1.0
  O  O20  1  0.118  0.589  0.883  1.0
  O  O21  1  0.884  0.409  0.118  1.0
  O  O22  1  0.882  0.415  0.783  1.0
  O  O23  1  0.503  0.503  0.000  1.0
  O  O24  1  0.504  0.504  0.332  1.0
  O  O25  1  0.504  0.504  0.665  1.0
[/CIF]
.
The structure described by Ba3Y5(NiO5)3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(7), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Ni site, Ni(2) is bonded to one O(7), one O(9), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Ni site, Ni(3) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), one Y(1), one Y(2), and one Ni(3) atom to form distorted OBa2Y2Ni square pyramids that share corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with three equivalent O(5)Ba2Y2Ni square pyramids, corners with four equivalent O(4)Ba2Y2Ni square pyramids,  an edgeedge with one O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  a faceface with one O(1)Ba2Y2Ni square pyramid,  a faceface with one O(5)Ba2Y2Ni square pyramid, and  a faceface with one O(8)Ba2YNi2 square pyramid. The corner-sharing octahedral tilt angles range from 38-66°. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Y(1), one Y(3), one Y(4), and one Ni(1) atom to form distorted OBa2Y3Ni octahedra that share corners with two equivalent O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with three equivalent O(4)Ba2Y2Ni square pyramids,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid, edges with two equivalent O(4)Ba2Y2Ni square pyramids,  a faceface with one O(7)Ba2Y2Ni2 octahedra, faces with two equivalent O(2)Ba2Y3Ni octahedra,  a faceface with one O(4)Ba2Y2Ni square pyramid, and  a faceface with one O(8)Ba2YNi2 square pyramid. The corner-sharing octahedral tilt angles range from 32-68°. In the third O site, O(3) is bonded to one Ba(1), one Ba(3), one Y(2), one Y(3), one Y(5), and one Ni(2) atom to form distorted OBa2Y3Ni octahedra that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(4)Ba2Y2Ni square pyramids, corners with four equivalent O(5)Ba2Y2Ni square pyramids,  an edgeedge with one O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  a faceface with one O(7)Ba2Y2Ni2 octahedra, and faces with two equivalent O(3)Ba2Y3Ni octahedra. The corner-sharing octahedral tilt angles range from 32-68°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Y(1), one Y(4), and one Ni(1) atom to form distorted OBa2Y2Ni square pyramids that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra, corners with three equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with two equivalent O(8)Ba2YNi2 square pyramids, corners with four equivalent O(1)Ba2Y2Ni square pyramids, edges with two equivalent O(2)Ba2Y3Ni octahedra,  an edgeedge with one O(4)Ba2Y2Ni square pyramid,  an edgeedge with one O(8)Ba2YNi2 square pyramid,  a faceface with one O(7)Ba2Y2Ni2 octahedra,  a faceface with one O(2)Ba2Y3Ni octahedra, and  a faceface with one O(4)Ba2Y2Ni square pyramid. The corner-sharing octahedral tilt angles range from 2-64°. In the fifth O site, O(5) is bonded to one Ba(2), one Ba(3), one Y(2), one Y(5), and one Ni(3) atom to form distorted OBa2Y2Ni square pyramids that share corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with four equivalent O(3)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(4)Ba2Y2Ni square pyramids, corners with three equivalent O(1)Ba2Y2Ni square pyramids,  an edgeedge with one O(3)Ba2Y3Ni octahedra,  an edgeedge with one O(1)Ba2Y2Ni square pyramid,  an edgeedge with one O(5)Ba2Y2Ni square pyramid,  an edgeedge with one O(8)Ba2YNi2 square pyramid,  a faceface with one O(1)Ba2Y2Ni square pyramid, and  a faceface with one O(5)Ba2Y2Ni square pyramid. The corner-sharing octahedral tilt angles range from 6-64°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(3), one Y(4), one Y(5), and one Ni(2) atom. In the seventh O site, O(7) is bonded to two equivalent Ba(1), one Y(3), one Y(4), one Ni(1), and one Ni(2) atom to form distorted OBa2Y2Ni2 octahedra that share corners with two equivalent O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(3)Ba2Y3Ni octahedra, corners with four equivalent O(2)Ba2Y3Ni octahedra,  a cornercorner with one O(8)Ba2YNi2 square pyramid, corners with two equivalent O(4)Ba2Y2Ni square pyramids, faces with two equivalent O(2)Ba2Y3Ni octahedra, faces with two equivalent O(3)Ba2Y3Ni octahedra, and faces with two equivalent O(4)Ba2Y2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-59°. In the eighth O site, O(8) is bonded to two equivalent Ba(2), one Y(1), one Ni(1), and one Ni(3) atom to form distorted OBa2YNi2 square pyramids that share  a cornercorner with one O(7)Ba2Y2Ni2 octahedra, corners with two equivalent O(2)Ba2Y3Ni octahedra, corners with two equivalent O(1)Ba2Y2Ni square pyramids, corners with two equivalent O(5)Ba2Y2Ni square pyramids, corners with two equivalent O(8)Ba2YNi2 square pyramids, corners with four equivalent O(4)Ba2Y2Ni square pyramids, edges with two equivalent O(4)Ba2Y2Ni square pyramids, edges with two equivalent O(5)Ba2Y2Ni square pyramids, faces with two equivalent O(2)Ba2Y3Ni octahedra, and faces with two equivalent O(1)Ba2Y2Ni square pyramids. The corner-sharing octahedral tilt angles range from 12-61°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one Y(2), one Y(5), one Ni(2), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Y5(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.627
_cell_length_b   6.627
_cell_length_c   11.323
_cell_angle_alpha   73.307
_cell_angle_beta   73.307
_cell_angle_gamma   51.941
_symmetry_Int_Tables_number   1
_cell_volume   370.972
_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
  Ba  Ba0  1  0.002  0.002  0.000  1.0
  Ba  Ba1  1  0.994  0.994  0.337  1.0
  Ba  Ba2  1  0.010  0.010  0.658  1.0
  Y  Y3  1  0.706  0.706  0.262  1.0
  Y  Y4  1  0.710  0.710  0.597  1.0
  Y  Y5  1  0.707  0.707  0.934  1.0
  Y  Y6  1  0.295  0.295  0.070  1.0
  Y  Y7  1  0.297  0.297  0.734  1.0
  Ni  Ni8  1  0.486  0.486  0.175  1.0
  Ni  Ni9  1  0.501  0.501  0.834  1.0
  Ni  Ni10  1  0.492  0.492  0.501  1.0
  O  O11  1  0.412  0.839  0.456  1.0
  O  O12  1  0.839  0.412  0.456  1.0
  O  O13  1  0.409  0.884  0.118  1.0
  O  O14  1  0.415  0.882  0.783  1.0
  O  O15  1  0.611  0.108  0.196  1.0
  O  O16  1  0.608  0.116  0.563  1.0
  O  O17  1  0.589  0.118  0.883  1.0
  O  O18  1  0.108  0.611  0.196  1.0
  O  O19  1  0.116  0.608  0.563  1.0
  O  O20  1  0.118  0.589  0.883  1.0
  O  O21  1  0.884  0.409  0.118  1.0
  O  O22  1  0.882  0.415  0.783  1.0
  O  O23  1  0.503  0.503  0.000  1.0
  O  O24  1  0.504  0.504  0.332  1.0
  O  O25  1  0.504  0.504  0.665  1.0
[/CIF]
.