The compound described by Sr2ZrCeO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Zr(1)O6 octahedra. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CeZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.534
_cell_length_b   8.534
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.484
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.000  0.500  0.500  1.0
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.750  0.250  0.250  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.250  0.250  0.750  1.0
  Zr  Zr12  1  0.250  0.250  0.250  1.0
  Zr  Zr13  1  0.250  0.750  0.750  1.0
  Zr  Zr14  1  0.750  0.250  0.750  1.0
  Zr  Zr15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.213  0.294  0.493  1.0
  O  O17  1  0.213  0.706  0.507  1.0
  O  O18  1  0.787  0.294  0.507  1.0
  O  O19  1  0.787  0.706  0.493  1.0
  O  O20  1  0.294  0.493  0.213  1.0
  O  O21  1  0.706  0.507  0.213  1.0
  O  O22  1  0.294  0.507  0.787  1.0
  O  O23  1  0.706  0.493  0.787  1.0
  O  O24  1  0.493  0.213  0.294  1.0
  O  O25  1  0.507  0.213  0.706  1.0
  O  O26  1  0.507  0.787  0.294  1.0
  O  O27  1  0.493  0.787  0.706  1.0
  O  O28  1  0.287  0.206  0.007  1.0
  O  O29  1  0.287  0.794  0.993  1.0
  O  O30  1  0.713  0.206  0.993  1.0
  O  O31  1  0.713  0.794  0.007  1.0
  O  O32  1  0.206  0.007  0.287  1.0
  O  O33  1  0.794  0.993  0.287  1.0
  O  O34  1  0.206  0.993  0.713  1.0
  O  O35  1  0.794  0.007  0.713  1.0
  O  O36  1  0.007  0.287  0.206  1.0
  O  O37  1  0.993  0.287  0.794  1.0
  O  O38  1  0.993  0.713  0.206  1.0
  O  O39  1  0.007  0.713  0.794  1.0
[/CIF]
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The compound described by Sr2ZrCeO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Zr(1)O6 octahedra. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CeZrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.534
_cell_length_b   8.534
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   621.484
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.000  0.500  0.500  1.0
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.750  0.250  0.250  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.250  0.250  0.750  1.0
  Zr  Zr12  1  0.250  0.250  0.250  1.0
  Zr  Zr13  1  0.250  0.750  0.750  1.0
  Zr  Zr14  1  0.750  0.250  0.750  1.0
  Zr  Zr15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.213  0.294  0.493  1.0
  O  O17  1  0.213  0.706  0.507  1.0
  O  O18  1  0.787  0.294  0.507  1.0
  O  O19  1  0.787  0.706  0.493  1.0
  O  O20  1  0.294  0.493  0.213  1.0
  O  O21  1  0.706  0.507  0.213  1.0
  O  O22  1  0.294  0.507  0.787  1.0
  O  O23  1  0.706  0.493  0.787  1.0
  O  O24  1  0.493  0.213  0.294  1.0
  O  O25  1  0.507  0.213  0.706  1.0
  O  O26  1  0.507  0.787  0.294  1.0
  O  O27  1  0.493  0.787  0.706  1.0
  O  O28  1  0.287  0.206  0.007  1.0
  O  O29  1  0.287  0.794  0.993  1.0
  O  O30  1  0.713  0.206  0.993  1.0
  O  O31  1  0.713  0.794  0.007  1.0
  O  O32  1  0.206  0.007  0.287  1.0
  O  O33  1  0.794  0.993  0.287  1.0
  O  O34  1  0.206  0.993  0.713  1.0
  O  O35  1  0.794  0.007  0.713  1.0
  O  O36  1  0.007  0.287  0.206  1.0
  O  O37  1  0.993  0.287  0.794  1.0
  O  O38  1  0.993  0.713  0.206  1.0
  O  O39  1  0.007  0.713  0.794  1.0
[/CIF]
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