The compound described by Ba2Ce2O5 crystallizes in the orthorhombic Pbam space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ce(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Ce(1) atoms to form OBa4Ce2 octahedra that share corners with eight equivalent O(2)Ba2Ce2 tetrahedra, edges with two equivalent O(1)Ba4Ce2 octahedra, and edges with two equivalent O(2)Ba2Ce2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Ce(1) atoms to form distorted OBa2Ce2 tetrahedra that share corners with four equivalent O(1)Ba4Ce2 octahedra, corners with four equivalent O(2)Ba2Ce2 tetrahedra, and  an edgeedge with one O(1)Ba4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 10-70°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Ce2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   6.214
_cell_length_c   12.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.312
_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  0.000  0.244  0.393  1.0
  Ba  Ba1  1  0.000  0.256  0.893  1.0
  Ba  Ba2  1  0.000  0.744  0.107  1.0
  Ba  Ba3  1  0.000  0.756  0.607  1.0
  Ce  Ce4  1  0.500  0.242  0.136  1.0
  Ce  Ce5  1  0.500  0.258  0.636  1.0
  Ce  Ce6  1  0.500  0.742  0.364  1.0
  Ce  Ce7  1  0.500  0.758  0.864  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.500  0.099  0.792  1.0
  O  O10  1  0.000  0.192  0.103  1.0
  O  O11  1  0.000  0.308  0.603  1.0
  O  O12  1  0.500  0.401  0.292  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.500  0.599  0.708  1.0
  O  O15  1  0.000  0.692  0.397  1.0
  O  O16  1  0.000  0.808  0.897  1.0
  O  O17  1  0.500  0.901  0.208  1.0
[/CIF]
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The compound described by Ba2Ce2O5 crystallizes in the orthorhombic Pbam space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ce(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Ce(1) atoms to form OBa4Ce2 octahedra that share corners with eight equivalent O(2)Ba2Ce2 tetrahedra, edges with two equivalent O(1)Ba4Ce2 octahedra, and edges with two equivalent O(2)Ba2Ce2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Ce(1) atoms to form distorted OBa2Ce2 tetrahedra that share corners with four equivalent O(1)Ba4Ce2 octahedra, corners with four equivalent O(2)Ba2Ce2 tetrahedra, and  an edgeedge with one O(1)Ba4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 10-70°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Ce2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   6.214
_cell_length_c   12.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.312
_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  0.000  0.244  0.393  1.0
  Ba  Ba1  1  0.000  0.256  0.893  1.0
  Ba  Ba2  1  0.000  0.744  0.107  1.0
  Ba  Ba3  1  0.000  0.756  0.607  1.0
  Ce  Ce4  1  0.500  0.242  0.136  1.0
  Ce  Ce5  1  0.500  0.258  0.636  1.0
  Ce  Ce6  1  0.500  0.742  0.364  1.0
  Ce  Ce7  1  0.500  0.758  0.864  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.500  0.099  0.792  1.0
  O  O10  1  0.000  0.192  0.103  1.0
  O  O11  1  0.000  0.308  0.603  1.0
  O  O12  1  0.500  0.401  0.292  1.0
  O  O13  1  0.500  0.500  0.000  1.0
  O  O14  1  0.500  0.599  0.708  1.0
  O  O15  1  0.000  0.692  0.397  1.0
  O  O16  1  0.000  0.808  0.897  1.0
  O  O17  1  0.500  0.901  0.208  1.0
[/CIF]
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