The material structure described by Sr3Cr2O8 crystallizes in the trigonal R-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded to six equivalent O(1) atoms to form distorted SrO6 cuboctahedra that share corners with six equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(2) and three equivalent O(1) atoms to form CrO4 tetrahedra that share corners with three equivalent Sr(2)O6 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(2), three equivalent Sr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Sr3Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.465
_cell_length_c   7.466
_cell_angle_alpha   43.706
_cell_angle_beta   43.706
_cell_angle_gamma   43.706
_symmetry_Int_Tables_number   1
_cell_volume   180.316
_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  0.797  0.797  0.797  1.0
  Sr  Sr1  1  0.203  0.203  0.203  1.0
  Sr  Sr2  1  1.000  1.000  1.000  1.0
  Cr  Cr3  1  0.594  0.594  0.594  1.0
  Cr  Cr4  1  0.406  0.406  0.406  1.0
  O  O5  1  0.269  0.269  0.767  1.0
  O  O6  1  0.269  0.767  0.269  1.0
  O  O7  1  0.767  0.269  0.269  1.0
  O  O8  1  0.233  0.731  0.731  1.0
  O  O9  1  0.731  0.731  0.233  1.0
  O  O10  1  0.323  0.323  0.323  1.0
  O  O11  1  0.731  0.233  0.731  1.0
  O  O12  1  0.677  0.677  0.677  1.0
[/CIF]
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The material structure described by Sr3Cr2O8 crystallizes in the trigonal R-3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded to six equivalent O(1) atoms to form distorted SrO6 cuboctahedra that share corners with six equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(2) and three equivalent O(1) atoms to form CrO4 tetrahedra that share corners with three equivalent Sr(2)O6 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(2), three equivalent Sr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_Sr3Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.465
_cell_length_c   7.466
_cell_angle_alpha   43.706
_cell_angle_beta   43.706
_cell_angle_gamma   43.706
_symmetry_Int_Tables_number   1
_cell_volume   180.316
_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  0.797  0.797  0.797  1.0
  Sr  Sr1  1  0.203  0.203  0.203  1.0
  Sr  Sr2  1  1.000  1.000  1.000  1.0
  Cr  Cr3  1  0.594  0.594  0.594  1.0
  Cr  Cr4  1  0.406  0.406  0.406  1.0
  O  O5  1  0.269  0.269  0.767  1.0
  O  O6  1  0.269  0.767  0.269  1.0
  O  O7  1  0.767  0.269  0.269  1.0
  O  O8  1  0.233  0.731  0.731  1.0
  O  O9  1  0.731  0.731  0.233  1.0
  O  O10  1  0.323  0.323  0.323  1.0
  O  O11  1  0.731  0.233  0.731  1.0
  O  O12  1  0.677  0.677  0.677  1.0
[/CIF]
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