The compound described by Ba4Ce2In2O11 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent In(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form InO5 square pyramids that share corners with four equivalent Ce(1)O6 octahedra and  a cornercorner with one In(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-30°. There are seven 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(4), one Ce(1), and one In(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), and two equivalent In(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ce(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(4), and two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ba4Ce2In2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.152
_cell_length_b   6.129
_cell_length_c   8.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.920
_symmetry_Int_Tables_number   1
_cell_volume   334.189
_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  0.507  0.509  0.250  1.0
  Ba  Ba1  1  0.976  0.998  0.250  1.0
  Ba  Ba2  1  0.494  0.494  0.750  1.0
  Ba  Ba3  1  0.012  0.995  0.750  1.0
  Ce  Ce4  1  0.002  0.495  0.504  1.0
  Ce  Ce5  1  0.002  0.495  0.996  1.0
  In  In6  1  0.487  0.995  0.021  1.0
  In  In7  1  0.487  0.995  0.479  1.0
  O  O8  1  0.744  0.750  0.030  1.0
  O  O9  1  0.746  0.234  0.488  1.0
  O  O10  1  0.259  0.240  0.555  1.0
  O  O11  1  0.261  0.750  0.950  1.0
  O  O12  1  0.259  0.240  0.945  1.0
  O  O13  1  0.261  0.750  0.550  1.0
  O  O14  1  0.744  0.750  0.470  1.0
  O  O15  1  0.746  0.234  0.012  1.0
  O  O16  1  0.409  0.985  0.250  1.0
  O  O17  1  0.058  0.481  0.250  1.0
  O  O18  1  0.932  0.511  0.750  1.0
[/CIF]
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The compound described by Ba4Ce2In2O11 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CeO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent In(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 18-23°. In(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form InO5 square pyramids that share corners with four equivalent Ce(1)O6 octahedra and  a cornercorner with one In(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-30°. There are seven 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(4), one Ce(1), and one In(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Ce(1), and one In(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(1), and two equivalent In(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ce(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(4), and two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ba4Ce2In2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.152
_cell_length_b   6.129
_cell_length_c   8.862
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.920
_symmetry_Int_Tables_number   1
_cell_volume   334.189
_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  0.507  0.509  0.250  1.0
  Ba  Ba1  1  0.976  0.998  0.250  1.0
  Ba  Ba2  1  0.494  0.494  0.750  1.0
  Ba  Ba3  1  0.012  0.995  0.750  1.0
  Ce  Ce4  1  0.002  0.495  0.504  1.0
  Ce  Ce5  1  0.002  0.495  0.996  1.0
  In  In6  1  0.487  0.995  0.021  1.0
  In  In7  1  0.487  0.995  0.479  1.0
  O  O8  1  0.744  0.750  0.030  1.0
  O  O9  1  0.746  0.234  0.488  1.0
  O  O10  1  0.259  0.240  0.555  1.0
  O  O11  1  0.261  0.750  0.950  1.0
  O  O12  1  0.259  0.240  0.945  1.0
  O  O13  1  0.261  0.750  0.550  1.0
  O  O14  1  0.744  0.750  0.470  1.0
  O  O15  1  0.746  0.234  0.012  1.0
  O  O16  1  0.409  0.985  0.250  1.0
  O  O17  1  0.058  0.481  0.250  1.0
  O  O18  1  0.932  0.511  0.750  1.0
[/CIF]
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