The material structure described by BaSc8Ni2O15 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(4), one O(9), two equivalent O(2), and two equivalent O(8) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra, corners with four equivalent Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the second Sc site, Sc(2) is bonded to one O(3), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and edges with two equivalent Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the third Sc site, Sc(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra, corners with two equivalent Sc(5)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourth Sc site, Sc(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fifth Sc site, Sc(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Sc(5)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, and  a faceface with one Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Sc(2), one Sc(4), one Sc(5), and one Ni(1) atom. In the second O site, O(8) is bonded to one Ba(1), one Sc(1), one Sc(3), one Sc(5), and one Ni(1) atom to form distorted OBaSc3Ni trigonal pyramids that share corners with two equivalent O(4)BaSc3 tetrahedra,  an edgeedge with one O(9)Sc6 octahedra,  an edgeedge with one O(3)BaSc3 tetrahedra, and  an edgeedge with one O(8)BaSc3Ni trigonal pyramid. In the third O site, O(9) is bonded to one Sc(1), one Sc(2), two equivalent Sc(3), and two equivalent Sc(4) atoms to form OSc6 octahedra that share  a cornercorner with one O(3)BaSc3 tetrahedra,  a cornercorner with one O(4)BaSc3 tetrahedra,  an edgeedge with one O(3)BaSc3 tetrahedra,  an edgeedge with one O(4)BaSc3 tetrahedra, and edges with two equivalent O(8)BaSc3Ni trigonal pyramids. In the fourth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sc(2), one Sc(3), one Sc(5), and one Ni(1) atom. In the fifth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Sc(1), one Sc(4), one Sc(5), and one Ni(1) atom. In the sixth O site, O(3) is bonded to one Ba(1), one Sc(2), and two equivalent Sc(3) atoms to form distorted OBaSc3 tetrahedra that share  a cornercorner with one O(9)Sc6 octahedra,  a cornercorner with one O(4)BaSc3 tetrahedra,  an edgeedge with one O(9)Sc6 octahedra, and edges with two equivalent O(8)BaSc3Ni trigonal pyramids. The corner-sharing octahedral tilt angles are 5°. In the seventh O site, O(4) is bonded to one Ba(1), one Sc(1), and two equivalent Sc(4) atoms to form distorted OBaSc3 tetrahedra that share  a cornercorner with one O(9)Sc6 octahedra,  a cornercorner with one O(3)BaSc3 tetrahedra, corners with four equivalent O(8)BaSc3Ni trigonal pyramids, and  an edgeedge with one O(9)Sc6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the eighth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Sc(3), one Sc(4), one Sc(5), and one Ni(1) atom. In the ninth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sc(3), one Sc(4), one Sc(5), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSc8Ni2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.118
_cell_length_b   8.118
_cell_length_c   9.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.323
_symmetry_Int_Tables_number   1
_cell_volume   642.534
_cell_formula_units_Z   2
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  0.765  0.765  0.512  1.0
  Ba  Ba1  1  0.235  0.235  0.012  1.0
  Sc  Sc2  1  0.436  0.436  0.637  1.0
  Sc  Sc3  1  0.063  0.063  0.363  1.0
  Sc  Sc4  1  0.564  0.564  0.137  1.0
  Sc  Sc5  1  0.937  0.937  0.863  1.0
  Sc  Sc6  1  0.032  0.296  0.648  1.0
  Sc  Sc7  1  0.203  0.462  0.354  1.0
  Sc  Sc8  1  0.704  0.968  0.148  1.0
  Sc  Sc9  1  0.538  0.797  0.854  1.0
  Sc  Sc10  1  0.462  0.203  0.354  1.0
  Sc  Sc11  1  0.296  0.032  0.648  1.0
  Sc  Sc12  1  0.797  0.538  0.854  1.0
  Sc  Sc13  1  0.968  0.704  0.148  1.0
  Sc  Sc14  1  0.175  0.651  0.886  1.0
  Sc  Sc15  1  0.349  0.825  0.386  1.0
  Sc  Sc16  1  0.651  0.175  0.886  1.0
  Sc  Sc17  1  0.825  0.349  0.386  1.0
  Ni  Ni18  1  0.845  0.331  0.112  1.0
  Ni  Ni19  1  0.669  0.155  0.612  1.0
  Ni  Ni20  1  0.331  0.845  0.112  1.0
  Ni  Ni21  1  0.155  0.669  0.612  1.0
  O  O22  1  0.112  0.856  0.004  1.0
  O  O23  1  0.643  0.391  0.994  1.0
  O  O24  1  0.144  0.888  0.504  1.0
  O  O25  1  0.609  0.357  0.494  1.0
  O  O26  1  0.391  0.643  0.994  1.0
  O  O27  1  0.856  0.112  0.004  1.0
  O  O28  1  0.357  0.609  0.494  1.0
  O  O29  1  0.888  0.144  0.504  1.0
  O  O30  1  0.101  0.101  0.764  1.0
  O  O31  1  0.398  0.398  0.236  1.0
  O  O32  1  0.899  0.899  0.264  1.0
  O  O33  1  0.602  0.602  0.736  1.0
  O  O34  1  0.817  0.321  0.751  1.0
  O  O35  1  0.183  0.679  0.251  1.0
  O  O36  1  0.679  0.183  0.251  1.0
  O  O37  1  0.321  0.817  0.751  1.0
  O  O38  1  0.997  0.507  0.999  1.0
  O  O39  1  0.493  0.003  0.499  1.0
  O  O40  1  0.507  0.997  0.999  1.0
  O  O41  1  0.003  0.493  0.499  1.0
  O  O42  1  0.712  0.970  0.757  1.0
  O  O43  1  0.534  0.789  0.241  1.0
  O  O44  1  0.030  0.288  0.257  1.0
  O  O45  1  0.211  0.466  0.741  1.0
  O  O46  1  0.789  0.534  0.241  1.0
  O  O47  1  0.970  0.712  0.757  1.0
  O  O48  1  0.466  0.211  0.741  1.0
  O  O49  1  0.288  0.030  0.257  1.0
  O  O50  1  0.750  0.750  0.998  1.0
  O  O51  1  0.250  0.250  0.498  1.0
[/CIF]
.
The material structure described by BaSc8Ni2O15 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(4), one O(9), two equivalent O(2), and two equivalent O(8) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra, corners with four equivalent Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the second Sc site, Sc(2) is bonded to one O(3), one O(9), two equivalent O(1), and two equivalent O(7) atoms to form distorted ScO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and edges with two equivalent Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the third Sc site, Sc(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra, corners with two equivalent Sc(5)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourth Sc site, Sc(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fifth Sc site, Sc(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form ScO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra,  an edgeedge with one Sc(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Sc(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Sc(5)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent Sc(4)O6 octahedra,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(4)O6 octahedra,  an edgeedge with one Sc(5)O6 octahedra, edges with two equivalent Sc(3)O6 octahedra, and  a faceface with one Sc(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Sc(2), one Sc(4), one Sc(5), and one Ni(1) atom. In the second O site, O(8) is bonded to one Ba(1), one Sc(1), one Sc(3), one Sc(5), and one Ni(1) atom to form distorted OBaSc3Ni trigonal pyramids that share corners with two equivalent O(4)BaSc3 tetrahedra,  an edgeedge with one O(9)Sc6 octahedra,  an edgeedge with one O(3)BaSc3 tetrahedra, and  an edgeedge with one O(8)BaSc3Ni trigonal pyramid. In the third O site, O(9) is bonded to one Sc(1), one Sc(2), two equivalent Sc(3), and two equivalent Sc(4) atoms to form OSc6 octahedra that share  a cornercorner with one O(3)BaSc3 tetrahedra,  a cornercorner with one O(4)BaSc3 tetrahedra,  an edgeedge with one O(3)BaSc3 tetrahedra,  an edgeedge with one O(4)BaSc3 tetrahedra, and edges with two equivalent O(8)BaSc3Ni trigonal pyramids. In the fourth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sc(2), one Sc(3), one Sc(5), and one Ni(1) atom. In the fifth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Sc(1), one Sc(4), one Sc(5), and one Ni(1) atom. In the sixth O site, O(3) is bonded to one Ba(1), one Sc(2), and two equivalent Sc(3) atoms to form distorted OBaSc3 tetrahedra that share  a cornercorner with one O(9)Sc6 octahedra,  a cornercorner with one O(4)BaSc3 tetrahedra,  an edgeedge with one O(9)Sc6 octahedra, and edges with two equivalent O(8)BaSc3Ni trigonal pyramids. The corner-sharing octahedral tilt angles are 5°. In the seventh O site, O(4) is bonded to one Ba(1), one Sc(1), and two equivalent Sc(4) atoms to form distorted OBaSc3 tetrahedra that share  a cornercorner with one O(9)Sc6 octahedra,  a cornercorner with one O(3)BaSc3 tetrahedra, corners with four equivalent O(8)BaSc3Ni trigonal pyramids, and  an edgeedge with one O(9)Sc6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the eighth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Sc(3), one Sc(4), one Sc(5), and one Ni(1) atom. In the ninth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sc(3), one Sc(4), one Sc(5), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSc8Ni2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.118
_cell_length_b   8.118
_cell_length_c   9.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.323
_symmetry_Int_Tables_number   1
_cell_volume   642.534
_cell_formula_units_Z   2
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  0.765  0.765  0.512  1.0
  Ba  Ba1  1  0.235  0.235  0.012  1.0
  Sc  Sc2  1  0.436  0.436  0.637  1.0
  Sc  Sc3  1  0.063  0.063  0.363  1.0
  Sc  Sc4  1  0.564  0.564  0.137  1.0
  Sc  Sc5  1  0.937  0.937  0.863  1.0
  Sc  Sc6  1  0.032  0.296  0.648  1.0
  Sc  Sc7  1  0.203  0.462  0.354  1.0
  Sc  Sc8  1  0.704  0.968  0.148  1.0
  Sc  Sc9  1  0.538  0.797  0.854  1.0
  Sc  Sc10  1  0.462  0.203  0.354  1.0
  Sc  Sc11  1  0.296  0.032  0.648  1.0
  Sc  Sc12  1  0.797  0.538  0.854  1.0
  Sc  Sc13  1  0.968  0.704  0.148  1.0
  Sc  Sc14  1  0.175  0.651  0.886  1.0
  Sc  Sc15  1  0.349  0.825  0.386  1.0
  Sc  Sc16  1  0.651  0.175  0.886  1.0
  Sc  Sc17  1  0.825  0.349  0.386  1.0
  Ni  Ni18  1  0.845  0.331  0.112  1.0
  Ni  Ni19  1  0.669  0.155  0.612  1.0
  Ni  Ni20  1  0.331  0.845  0.112  1.0
  Ni  Ni21  1  0.155  0.669  0.612  1.0
  O  O22  1  0.112  0.856  0.004  1.0
  O  O23  1  0.643  0.391  0.994  1.0
  O  O24  1  0.144  0.888  0.504  1.0
  O  O25  1  0.609  0.357  0.494  1.0
  O  O26  1  0.391  0.643  0.994  1.0
  O  O27  1  0.856  0.112  0.004  1.0
  O  O28  1  0.357  0.609  0.494  1.0
  O  O29  1  0.888  0.144  0.504  1.0
  O  O30  1  0.101  0.101  0.764  1.0
  O  O31  1  0.398  0.398  0.236  1.0
  O  O32  1  0.899  0.899  0.264  1.0
  O  O33  1  0.602  0.602  0.736  1.0
  O  O34  1  0.817  0.321  0.751  1.0
  O  O35  1  0.183  0.679  0.251  1.0
  O  O36  1  0.679  0.183  0.251  1.0
  O  O37  1  0.321  0.817  0.751  1.0
  O  O38  1  0.997  0.507  0.999  1.0
  O  O39  1  0.493  0.003  0.499  1.0
  O  O40  1  0.507  0.997  0.999  1.0
  O  O41  1  0.003  0.493  0.499  1.0
  O  O42  1  0.712  0.970  0.757  1.0
  O  O43  1  0.534  0.789  0.241  1.0
  O  O44  1  0.030  0.288  0.257  1.0
  O  O45  1  0.211  0.466  0.741  1.0
  O  O46  1  0.789  0.534  0.241  1.0
  O  O47  1  0.970  0.712  0.757  1.0
  O  O48  1  0.466  0.211  0.741  1.0
  O  O49  1  0.288  0.030  0.257  1.0
  O  O50  1  0.750  0.750  0.998  1.0
  O  O51  1  0.250  0.250  0.498  1.0
[/CIF]
.