The compound described by SrCr2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Cr(1), one Cr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cr(1), one Cr(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_SrCr2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   5.614
_cell_angle_alpha   59.425
_cell_angle_beta   59.425
_cell_angle_gamma   59.425
_symmetry_Int_Tables_number   1
_cell_volume   123.447
_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  0.239  0.239  0.239  1.0
  Cr  Cr1  1  0.493  0.493  0.493  1.0
  Cr  Cr2  1  0.995  0.995  0.995  1.0
  Bi  Bi3  1  0.713  0.713  0.713  1.0
  O  O4  1  0.166  0.330  0.749  1.0
  O  O5  1  0.749  0.166  0.330  1.0
  O  O6  1  0.330  0.749  0.166  1.0
  O  O7  1  0.274  0.806  0.689  1.0
  O  O8  1  0.689  0.274  0.806  1.0
  O  O9  1  0.806  0.689  0.274  1.0
[/CIF]
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The compound described by SrCr2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Cr(1), one Cr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cr(1), one Cr(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_SrCr2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   5.614
_cell_angle_alpha   59.425
_cell_angle_beta   59.425
_cell_angle_gamma   59.425
_symmetry_Int_Tables_number   1
_cell_volume   123.447
_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  0.239  0.239  0.239  1.0
  Cr  Cr1  1  0.493  0.493  0.493  1.0
  Cr  Cr2  1  0.995  0.995  0.995  1.0
  Bi  Bi3  1  0.713  0.713  0.713  1.0
  O  O4  1  0.166  0.330  0.749  1.0
  O  O5  1  0.749  0.166  0.330  1.0
  O  O6  1  0.330  0.749  0.166  1.0
  O  O7  1  0.274  0.806  0.689  1.0
  O  O8  1  0.689  0.274  0.806  1.0
  O  O9  1  0.806  0.689  0.274  1.0
[/CIF]
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