The material structure described by Ba5Zn4Y8O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(3) and eight equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and faces with two equivalent Y(1)O7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Y(1)O7 pentagonal bipyramids and edges with two equivalent Y(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Y(2), two equivalent Y(1), and one Zn(1) atom to form distorted OBa2Y3Zn octahedra that share  a cornercorner with one O(3)Ba2Y4 octahedra, corners with three equivalent O(4)Ba4YZn octahedra, corners with six equivalent O(1)Ba2Y3Zn octahedra, edges with two equivalent O(1)Ba2Y3Zn octahedra,  a faceface with one O(3)Ba2Y4 octahedra,  a faceface with one O(4)Ba4YZn octahedra, and faces with two equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), two equivalent Y(2), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(2) and four equivalent Y(1) atoms to form OBa2Y4 octahedra that share corners with two equivalent O(3)Ba2Y4 octahedra, corners with eight equivalent O(1)Ba2Y3Zn octahedra, and faces with eight equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Y(2), and one Zn(1) atom to form distorted OBa4YZn octahedra that share corners with two equivalent O(4)Ba4YZn octahedra, corners with six equivalent O(1)Ba2Y3Zn octahedra, edges with five equivalent O(4)Ba4YZn octahedra, and faces with two equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 6-60°. is represented by the CIF file [CIF]
data_Ba5Y8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.267
_cell_length_b   10.267
_cell_length_c   10.267
_cell_angle_alpha   94.529
_cell_angle_beta   94.529
_cell_angle_gamma   147.359
_symmetry_Int_Tables_number   1
_cell_volume   560.167
_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  0.139  0.464  0.603  1.0
  Ba  Ba1  1  0.861  0.536  0.397  1.0
  Ba  Ba2  1  0.536  0.139  0.675  1.0
  Ba  Ba3  1  0.464  0.861  0.325  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Y  Y5  1  0.412  0.358  0.769  1.0
  Y  Y6  1  0.588  0.642  0.231  1.0
  Y  Y7  1  0.642  0.412  0.054  1.0
  Y  Y8  1  0.358  0.588  0.946  1.0
  Y  Y9  1  0.247  0.168  0.415  1.0
  Y  Y10  1  0.753  0.832  0.585  1.0
  Y  Y11  1  0.832  0.247  0.079  1.0
  Y  Y12  1  0.168  0.753  0.921  1.0
  Zn  Zn13  1  0.040  0.251  0.291  1.0
  Zn  Zn14  1  0.960  0.749  0.709  1.0
  Zn  Zn15  1  0.749  0.040  0.789  1.0
  Zn  Zn16  1  0.251  0.960  0.211  1.0
  O  O17  1  0.427  0.297  0.226  1.0
  O  O18  1  0.573  0.703  0.774  1.0
  O  O19  1  0.071  0.201  0.774  1.0
  O  O20  1  0.201  0.427  0.130  1.0
  O  O21  1  0.929  0.799  0.226  1.0
  O  O22  1  0.799  0.573  0.870  1.0
  O  O23  1  0.297  0.071  0.870  1.0
  O  O24  1  0.703  0.929  0.130  1.0
  O  O25  1  0.395  0.505  0.405  1.0
  O  O26  1  0.605  0.495  0.595  1.0
  O  O27  1  0.099  0.990  0.595  1.0
  O  O28  1  0.990  0.395  0.891  1.0
  O  O29  1  0.901  0.010  0.405  1.0
  O  O30  1  0.010  0.605  0.109  1.0
  O  O31  1  0.505  0.099  0.109  1.0
  O  O32  1  0.495  0.901  0.891  1.0
  O  O33  1  0.500  0.500  0.000  1.0
  O  O34  1  0.372  0.037  0.410  1.0
  O  O35  1  0.628  0.963  0.590  1.0
  O  O36  1  0.963  0.372  0.335  1.0
  O  O37  1  0.037  0.628  0.665  1.0
[/CIF]
.
The material structure described by Ba5Zn4Y8O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(3) and eight equivalent O(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and faces with two equivalent Y(1)O7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. Zn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Y(1)O7 pentagonal bipyramids and edges with two equivalent Y(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Y(2), two equivalent Y(1), and one Zn(1) atom to form distorted OBa2Y3Zn octahedra that share  a cornercorner with one O(3)Ba2Y4 octahedra, corners with three equivalent O(4)Ba4YZn octahedra, corners with six equivalent O(1)Ba2Y3Zn octahedra, edges with two equivalent O(1)Ba2Y3Zn octahedra,  a faceface with one O(3)Ba2Y4 octahedra,  a faceface with one O(4)Ba4YZn octahedra, and faces with two equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), two equivalent Y(2), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(2) and four equivalent Y(1) atoms to form OBa2Y4 octahedra that share corners with two equivalent O(3)Ba2Y4 octahedra, corners with eight equivalent O(1)Ba2Y3Zn octahedra, and faces with eight equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Y(2), and one Zn(1) atom to form distorted OBa4YZn octahedra that share corners with two equivalent O(4)Ba4YZn octahedra, corners with six equivalent O(1)Ba2Y3Zn octahedra, edges with five equivalent O(4)Ba4YZn octahedra, and faces with two equivalent O(1)Ba2Y3Zn octahedra. The corner-sharing octahedral tilt angles range from 6-60°. is represented by the CIF file [CIF]
data_Ba5Y8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.267
_cell_length_b   10.267
_cell_length_c   10.267
_cell_angle_alpha   94.529
_cell_angle_beta   94.529
_cell_angle_gamma   147.359
_symmetry_Int_Tables_number   1
_cell_volume   560.167
_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  0.139  0.464  0.603  1.0
  Ba  Ba1  1  0.861  0.536  0.397  1.0
  Ba  Ba2  1  0.536  0.139  0.675  1.0
  Ba  Ba3  1  0.464  0.861  0.325  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Y  Y5  1  0.412  0.358  0.769  1.0
  Y  Y6  1  0.588  0.642  0.231  1.0
  Y  Y7  1  0.642  0.412  0.054  1.0
  Y  Y8  1  0.358  0.588  0.946  1.0
  Y  Y9  1  0.247  0.168  0.415  1.0
  Y  Y10  1  0.753  0.832  0.585  1.0
  Y  Y11  1  0.832  0.247  0.079  1.0
  Y  Y12  1  0.168  0.753  0.921  1.0
  Zn  Zn13  1  0.040  0.251  0.291  1.0
  Zn  Zn14  1  0.960  0.749  0.709  1.0
  Zn  Zn15  1  0.749  0.040  0.789  1.0
  Zn  Zn16  1  0.251  0.960  0.211  1.0
  O  O17  1  0.427  0.297  0.226  1.0
  O  O18  1  0.573  0.703  0.774  1.0
  O  O19  1  0.071  0.201  0.774  1.0
  O  O20  1  0.201  0.427  0.130  1.0
  O  O21  1  0.929  0.799  0.226  1.0
  O  O22  1  0.799  0.573  0.870  1.0
  O  O23  1  0.297  0.071  0.870  1.0
  O  O24  1  0.703  0.929  0.130  1.0
  O  O25  1  0.395  0.505  0.405  1.0
  O  O26  1  0.605  0.495  0.595  1.0
  O  O27  1  0.099  0.990  0.595  1.0
  O  O28  1  0.990  0.395  0.891  1.0
  O  O29  1  0.901  0.010  0.405  1.0
  O  O30  1  0.010  0.605  0.109  1.0
  O  O31  1  0.505  0.099  0.109  1.0
  O  O32  1  0.495  0.901  0.891  1.0
  O  O33  1  0.500  0.500  0.000  1.0
  O  O34  1  0.372  0.037  0.410  1.0
  O  O35  1  0.628  0.963  0.590  1.0
  O  O36  1  0.963  0.372  0.335  1.0
  O  O37  1  0.037  0.628  0.665  1.0
[/CIF]
.