The crystal structure described by Ba5Ce4ZrO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(1), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(4), three equivalent O(10), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(5), two equivalent O(7), and four equivalent O(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form CeO6 octahedra that share  a cornercorner with one Ce(5)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with three equivalent Ce(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the second Ce site, Ce(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form CeO6 octahedra that share  a cornercorner with one Ce(4)O6 octahedra, corners with two equivalent Ce(5)O6 octahedra, and corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. In the third Ce site, Ce(3) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with four equivalent Ce(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fourth Ce site, Ce(4) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the fifth Ce site, Ce(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Zr(1) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form ZrO6 octahedra that share  a cornercorner with one Ce(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, and corners with three equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ce(1), and one Zr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(5), two equivalent Ba(2), one Ce(2), and one Zr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), one Ce(3), and one Ce(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Ce(2), and one Ce(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ce(1), and one Ce(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to three equivalent Ba(3), one Ce(1), and one Ce(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(4), one Ce(1), and one Ce(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), one Ce(2), and one Ce(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(5), one Ce(3), and one Zr(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(4), three equivalent Ba(2), one Ce(2), and one Zr(1) atom. is represented by the CIF file [CIF]
data_Ba5Ce4ZrO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   13.899
_cell_length_c   10.858
_cell_angle_alpha   104.742
_cell_angle_beta   106.661
_cell_angle_gamma   77.057
_symmetry_Int_Tables_number   1
_cell_volume   858.880
_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  0.095  0.354  0.545  1.0
  Ba  Ba1  1  0.496  0.749  0.740  1.0
  Ba  Ba2  1  0.898  0.145  0.941  1.0
  Ba  Ba3  1  0.301  0.549  0.150  1.0
  Ba  Ba4  1  0.702  0.946  0.350  1.0
  Ba  Ba5  1  0.904  0.651  0.460  1.0
  Ba  Ba6  1  0.305  0.046  0.655  1.0
  Ba  Ba7  1  0.698  0.454  0.850  1.0
  Ba  Ba8  1  0.099  0.851  0.050  1.0
  Ba  Ba9  1  0.502  0.255  0.259  1.0
  Ce  Ce10  1  0.499  0.998  0.996  1.0
  Ce  Ce11  1  0.901  0.402  0.204  1.0
  Ce  Ce12  1  0.303  0.799  0.404  1.0
  Ce  Ce13  1  0.700  0.200  0.600  1.0
  Ce  Ce14  1  0.097  0.601  0.796  1.0
  Ce  Ce15  1  0.300  0.301  0.901  1.0
  Ce  Ce16  1  0.700  0.700  0.100  1.0
  Ce  Ce17  1  0.100  0.099  0.299  1.0
  Zr  Zr18  1  0.501  0.500  0.501  1.0
  Zr  Zr19  1  0.899  0.900  0.699  1.0
  O  O20  1  0.709  0.431  0.364  1.0
  O  O21  1  0.110  0.830  0.564  1.0
  O  O22  1  0.519  0.225  0.759  1.0
  O  O23  1  0.916  0.625  0.956  1.0
  O  O24  1  0.315  0.023  0.155  1.0
  O  O25  1  0.777  0.570  0.636  1.0
  O  O26  1  0.175  0.969  0.836  1.0
  O  O27  1  0.582  0.377  0.045  1.0
  O  O28  1  0.986  0.775  0.244  1.0
  O  O29  1  0.385  0.175  0.441  1.0
  O  O30  1  0.225  0.431  0.364  1.0
  O  O31  1  0.623  0.830  0.564  1.0
  O  O32  1  0.015  0.225  0.759  1.0
  O  O33  1  0.414  0.625  0.956  1.0
  O  O34  1  0.818  0.023  0.155  1.0
  O  O35  1  0.290  0.570  0.636  1.0
  O  O36  1  0.691  0.969  0.836  1.0
  O  O37  1  0.085  0.377  0.045  1.0
  O  O38  1  0.484  0.775  0.244  1.0
  O  O39  1  0.881  0.175  0.441  1.0
  O  O40  1  0.415  0.164  0.994  1.0
  O  O41  1  0.816  0.566  0.198  1.0
  O  O42  1  0.217  0.964  0.398  1.0
  O  O43  1  0.610  0.369  0.589  1.0
  O  O44  1  0.008  0.768  0.785  1.0
  O  O45  1  0.183  0.436  0.802  1.0
  O  O46  1  0.584  0.834  0.002  1.0
  O  O47  1  0.985  0.236  0.206  1.0
  O  O48  1  0.392  0.632  0.415  1.0
  O  O49  1  0.790  0.031  0.611  1.0
[/CIF]
.
The crystal structure described by Ba5Ce4ZrO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(1), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(4), three equivalent O(10), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(5), two equivalent O(7), and four equivalent O(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form CeO6 octahedra that share  a cornercorner with one Ce(5)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with three equivalent Ce(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the second Ce site, Ce(2) is bonded to one O(10), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form CeO6 octahedra that share  a cornercorner with one Ce(4)O6 octahedra, corners with two equivalent Ce(5)O6 octahedra, and corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. In the third Ce site, Ce(3) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with four equivalent Ce(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fourth Ce site, Ce(4) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the fifth Ce site, Ce(5) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Zr(1) is bonded to one O(10), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form ZrO6 octahedra that share  a cornercorner with one Ce(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, and corners with three equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ce(1), and one Zr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(5), two equivalent Ba(2), one Ce(2), and one Zr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), one Ce(3), and one Ce(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Ce(2), and one Ce(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(5), one Ce(1), and one Ce(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to three equivalent Ba(3), one Ce(1), and one Ce(4) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(4), one Ce(1), and one Ce(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(5), one Ce(2), and one Ce(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(5), one Ce(3), and one Zr(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(4), three equivalent Ba(2), one Ce(2), and one Zr(1) atom. is represented by the CIF file [CIF]
data_Ba5Ce4ZrO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   13.899
_cell_length_c   10.858
_cell_angle_alpha   104.742
_cell_angle_beta   106.661
_cell_angle_gamma   77.057
_symmetry_Int_Tables_number   1
_cell_volume   858.880
_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  0.095  0.354  0.545  1.0
  Ba  Ba1  1  0.496  0.749  0.740  1.0
  Ba  Ba2  1  0.898  0.145  0.941  1.0
  Ba  Ba3  1  0.301  0.549  0.150  1.0
  Ba  Ba4  1  0.702  0.946  0.350  1.0
  Ba  Ba5  1  0.904  0.651  0.460  1.0
  Ba  Ba6  1  0.305  0.046  0.655  1.0
  Ba  Ba7  1  0.698  0.454  0.850  1.0
  Ba  Ba8  1  0.099  0.851  0.050  1.0
  Ba  Ba9  1  0.502  0.255  0.259  1.0
  Ce  Ce10  1  0.499  0.998  0.996  1.0
  Ce  Ce11  1  0.901  0.402  0.204  1.0
  Ce  Ce12  1  0.303  0.799  0.404  1.0
  Ce  Ce13  1  0.700  0.200  0.600  1.0
  Ce  Ce14  1  0.097  0.601  0.796  1.0
  Ce  Ce15  1  0.300  0.301  0.901  1.0
  Ce  Ce16  1  0.700  0.700  0.100  1.0
  Ce  Ce17  1  0.100  0.099  0.299  1.0
  Zr  Zr18  1  0.501  0.500  0.501  1.0
  Zr  Zr19  1  0.899  0.900  0.699  1.0
  O  O20  1  0.709  0.431  0.364  1.0
  O  O21  1  0.110  0.830  0.564  1.0
  O  O22  1  0.519  0.225  0.759  1.0
  O  O23  1  0.916  0.625  0.956  1.0
  O  O24  1  0.315  0.023  0.155  1.0
  O  O25  1  0.777  0.570  0.636  1.0
  O  O26  1  0.175  0.969  0.836  1.0
  O  O27  1  0.582  0.377  0.045  1.0
  O  O28  1  0.986  0.775  0.244  1.0
  O  O29  1  0.385  0.175  0.441  1.0
  O  O30  1  0.225  0.431  0.364  1.0
  O  O31  1  0.623  0.830  0.564  1.0
  O  O32  1  0.015  0.225  0.759  1.0
  O  O33  1  0.414  0.625  0.956  1.0
  O  O34  1  0.818  0.023  0.155  1.0
  O  O35  1  0.290  0.570  0.636  1.0
  O  O36  1  0.691  0.969  0.836  1.0
  O  O37  1  0.085  0.377  0.045  1.0
  O  O38  1  0.484  0.775  0.244  1.0
  O  O39  1  0.881  0.175  0.441  1.0
  O  O40  1  0.415  0.164  0.994  1.0
  O  O41  1  0.816  0.566  0.198  1.0
  O  O42  1  0.217  0.964  0.398  1.0
  O  O43  1  0.610  0.369  0.589  1.0
  O  O44  1  0.008  0.768  0.785  1.0
  O  O45  1  0.183  0.436  0.802  1.0
  O  O46  1  0.584  0.834  0.002  1.0
  O  O47  1  0.985  0.236  0.206  1.0
  O  O48  1  0.392  0.632  0.415  1.0
  O  O49  1  0.790  0.031  0.611  1.0
[/CIF]
.