The crystal structure described by SrPuO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Pu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Sr(1) and one Pu(1) atom to form distorted OSr3Pu tetrahedra that share corners with six equivalent O(1)SrPu3 tetrahedra, corners with ten equivalent O(2)Sr3Pu tetrahedra, edges with three equivalent O(2)Sr3Pu tetrahedra, and edges with three equivalent O(1)SrPu3 tetrahedra. In the second O site, O(1) is bonded to one Sr(1) and three equivalent Pu(1) atoms to form OSrPu3 tetrahedra that share corners with six equivalent O(2)Sr3Pu tetrahedra, corners with ten equivalent O(1)SrPu3 tetrahedra, edges with three equivalent O(2)Sr3Pu tetrahedra, and edges with three equivalent O(1)SrPu3 tetrahedra. is represented by the CIF card [CIF]
data_SrPuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.512
_cell_length_b   6.512
_cell_length_c   6.512
_cell_angle_alpha   35.200
_cell_angle_beta   35.200
_cell_angle_gamma   35.200
_symmetry_Int_Tables_number   1
_cell_volume   81.969
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Pu  Pu1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.641  0.641  0.641  1.0
  O  O3  1  0.359  0.359  0.359  1.0
  O  O4  1  0.107  0.107  0.107  1.0
  O  O5  1  0.893  0.893  0.893  1.0
[/CIF]
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The crystal structure described by SrPuO4 crystallizes in the trigonal R-3m space group. Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Pu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Sr(1) and one Pu(1) atom to form distorted OSr3Pu tetrahedra that share corners with six equivalent O(1)SrPu3 tetrahedra, corners with ten equivalent O(2)Sr3Pu tetrahedra, edges with three equivalent O(2)Sr3Pu tetrahedra, and edges with three equivalent O(1)SrPu3 tetrahedra. In the second O site, O(1) is bonded to one Sr(1) and three equivalent Pu(1) atoms to form OSrPu3 tetrahedra that share corners with six equivalent O(2)Sr3Pu tetrahedra, corners with ten equivalent O(1)SrPu3 tetrahedra, edges with three equivalent O(2)Sr3Pu tetrahedra, and edges with three equivalent O(1)SrPu3 tetrahedra. is represented by the CIF card [CIF]
data_SrPuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.512
_cell_length_b   6.512
_cell_length_c   6.512
_cell_angle_alpha   35.200
_cell_angle_beta   35.200
_cell_angle_gamma   35.200
_symmetry_Int_Tables_number   1
_cell_volume   81.969
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Pu  Pu1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.641  0.641  0.641  1.0
  O  O3  1  0.359  0.359  0.359  1.0
  O  O4  1  0.107  0.107  0.107  1.0
  O  O5  1  0.893  0.893  0.893  1.0
[/CIF]
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