The material structure described by Ba4Y2NiCu6O15 crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(9), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(13), two equivalent O(15), and four equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(14), two equivalent O(15), and four equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(9) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), two equivalent O(14), and two equivalent O(2) atoms. Ni(1) is bonded to one O(6), two equivalent O(10), and two equivalent O(2) atoms to form corner-sharing NiO5 square pyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(6), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(15) atoms. In the third Cu site, Cu(3) is bonded to one O(7), two equivalent O(11), and two equivalent O(13) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(8), two equivalent O(12), and two equivalent O(14) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to one O(4), one O(5), and two equivalent O(3) atoms. In the sixth Cu site, Cu(6) is bonded to one O(5), two equivalent O(1), and two equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(6) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(2), one Cu(5), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(5), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Ni(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuNi octahedra. The corner-sharing octahedral tilt angles are 8°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(2), and one Cu(4) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(6) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Ni(1) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Cu(4) atoms. In the fifteenth O site, O(15) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(2) atoms to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Y2Cu6NiO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   3.919
_cell_length_c   25.505
_cell_angle_alpha   89.998
_cell_angle_beta   94.369
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   387.167
_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  0.312  0.500  0.624  1.0
  Ba  Ba1  1  0.688  0.500  0.377  1.0
  Ba  Ba2  1  0.458  0.500  0.916  1.0
  Ba  Ba3  1  0.542  0.500  0.084  1.0
  Cu  Cu4  1  0.229  0.000  0.458  1.0
  Cu  Cu5  1  1.000  0.000  1.000  1.0
  Cu  Cu6  1  0.918  1.000  0.837  1.0
  Cu  Cu7  1  0.081  0.000  0.163  1.0
  Cu  Cu8  1  0.770  1.000  0.540  1.0
  Cu  Cu9  1  0.851  1.000  0.703  1.0
  Ni  Ni10  1  0.151  0.000  0.303  1.0
  O  O11  1  0.856  0.500  0.712  1.0
  O  O12  1  0.144  0.500  0.288  1.0
  O  O13  1  0.266  1.000  0.532  1.0
  O  O14  1  0.733  1.000  0.466  1.0
  O  O15  1  0.806  1.000  0.613  1.0
  O  O16  1  0.192  0.000  0.384  1.0
  O  O17  1  0.963  0.000  0.926  1.0
  O  O18  1  0.037  1.000  0.074  1.0
  O  O19  1  0.357  1.000  0.713  1.0
  O  O20  1  0.643  0.000  0.287  1.0
  O  O21  1  0.413  0.000  0.825  1.0
  O  O22  1  0.587  1.000  0.174  1.0
  O  O23  1  0.912  0.500  0.825  1.0
  O  O24  1  0.088  0.500  0.175  1.0
  O  O25  1  1.000  0.500  1.000  1.0
  Y  Y26  1  0.385  0.500  0.770  1.0
  Y  Y27  1  0.616  0.500  0.232  1.0
[/CIF]
.
The material structure described by Ba4Y2NiCu6O15 crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(9), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(13), two equivalent O(15), and four equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(14), two equivalent O(15), and four equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(9) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(12), two equivalent O(14), and two equivalent O(2) atoms. Ni(1) is bonded to one O(6), two equivalent O(10), and two equivalent O(2) atoms to form corner-sharing NiO5 square pyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(6), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(15) atoms. In the third Cu site, Cu(3) is bonded to one O(7), two equivalent O(11), and two equivalent O(13) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(8), two equivalent O(12), and two equivalent O(14) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to one O(4), one O(5), and two equivalent O(3) atoms. In the sixth Cu site, Cu(6) is bonded to one O(5), two equivalent O(1), and two equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(6) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(2), one Cu(5), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(5), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Ni(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuNi octahedra. The corner-sharing octahedral tilt angles are 8°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(2), and one Cu(4) atom to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(6) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Ni(1) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Y(2), and two equivalent Cu(4) atoms. In the fifteenth O site, O(15) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(2) atoms to form a mixture of distorted corner, face, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Y2Cu6NiO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   3.919
_cell_length_c   25.505
_cell_angle_alpha   89.998
_cell_angle_beta   94.369
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   387.167
_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  0.312  0.500  0.624  1.0
  Ba  Ba1  1  0.688  0.500  0.377  1.0
  Ba  Ba2  1  0.458  0.500  0.916  1.0
  Ba  Ba3  1  0.542  0.500  0.084  1.0
  Cu  Cu4  1  0.229  0.000  0.458  1.0
  Cu  Cu5  1  1.000  0.000  1.000  1.0
  Cu  Cu6  1  0.918  1.000  0.837  1.0
  Cu  Cu7  1  0.081  0.000  0.163  1.0
  Cu  Cu8  1  0.770  1.000  0.540  1.0
  Cu  Cu9  1  0.851  1.000  0.703  1.0
  Ni  Ni10  1  0.151  0.000  0.303  1.0
  O  O11  1  0.856  0.500  0.712  1.0
  O  O12  1  0.144  0.500  0.288  1.0
  O  O13  1  0.266  1.000  0.532  1.0
  O  O14  1  0.733  1.000  0.466  1.0
  O  O15  1  0.806  1.000  0.613  1.0
  O  O16  1  0.192  0.000  0.384  1.0
  O  O17  1  0.963  0.000  0.926  1.0
  O  O18  1  0.037  1.000  0.074  1.0
  O  O19  1  0.357  1.000  0.713  1.0
  O  O20  1  0.643  0.000  0.287  1.0
  O  O21  1  0.413  0.000  0.825  1.0
  O  O22  1  0.587  1.000  0.174  1.0
  O  O23  1  0.912  0.500  0.825  1.0
  O  O24  1  0.088  0.500  0.175  1.0
  O  O25  1  1.000  0.500  1.000  1.0
  Y  Y26  1  0.385  0.500  0.770  1.0
  Y  Y27  1  0.616  0.500  0.232  1.0
[/CIF]
.