The compound described by BaSrCeVO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Ce(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(2), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Ce(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(1), and one V(2) atom. is represented by the CIF file [CIF]
data_BaSrCeVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.906
_cell_length_c   8.405
_cell_angle_alpha   90.424
_cell_angle_beta   90.410
_cell_angle_gamma   90.968
_symmetry_Int_Tables_number   1
_cell_volume   293.550
_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  0.505  0.515  0.249  1.0
  Ba  Ba1  1  0.495  0.485  0.751  1.0
  Sr  Sr2  1  1.000  0.024  0.252  1.0
  Sr  Sr3  1  0.000  0.976  0.748  1.0
  Ce  Ce4  1  0.000  0.500  0.000  1.0
  Ce  Ce5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  V  V7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.236  0.213  0.970  1.0
  O  O9  1  0.249  0.704  0.522  1.0
  O  O10  1  0.764  0.787  0.030  1.0
  O  O11  1  0.751  0.296  0.478  1.0
  O  O12  1  0.294  0.753  0.974  1.0
  O  O13  1  0.208  0.230  0.528  1.0
  O  O14  1  0.706  0.247  0.026  1.0
  O  O15  1  0.792  0.770  0.472  1.0
  O  O16  1  0.440  0.001  0.239  1.0
  O  O17  1  0.041  0.481  0.262  1.0
  O  O18  1  0.560  0.999  0.761  1.0
  O  O19  1  0.959  0.519  0.738  1.0
[/CIF]
.
The compound described by BaSrCeVO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CeO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the second Ce site, Ce(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CeO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Ce(2)O6 octahedra and corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Ce(1)O6 octahedra and corners with four equivalent Ce(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Ce(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(2), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Ce(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Ce(1), and one V(2) atom. is represented by the CIF file [CIF]
data_BaSrCeVO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.906
_cell_length_c   8.405
_cell_angle_alpha   90.424
_cell_angle_beta   90.410
_cell_angle_gamma   90.968
_symmetry_Int_Tables_number   1
_cell_volume   293.550
_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  0.505  0.515  0.249  1.0
  Ba  Ba1  1  0.495  0.485  0.751  1.0
  Sr  Sr2  1  1.000  0.024  0.252  1.0
  Sr  Sr3  1  0.000  0.976  0.748  1.0
  Ce  Ce4  1  0.000  0.500  0.000  1.0
  Ce  Ce5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.500  0.000  0.000  1.0
  V  V7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.236  0.213  0.970  1.0
  O  O9  1  0.249  0.704  0.522  1.0
  O  O10  1  0.764  0.787  0.030  1.0
  O  O11  1  0.751  0.296  0.478  1.0
  O  O12  1  0.294  0.753  0.974  1.0
  O  O13  1  0.208  0.230  0.528  1.0
  O  O14  1  0.706  0.247  0.026  1.0
  O  O15  1  0.792  0.770  0.472  1.0
  O  O16  1  0.440  0.001  0.239  1.0
  O  O17  1  0.041  0.481  0.262  1.0
  O  O18  1  0.560  0.999  0.761  1.0
  O  O19  1  0.959  0.519  0.738  1.0
[/CIF]
.