The compound described by Sr2CrTaO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-12°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Sr2TaCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.578
_cell_length_c   5.577
_cell_angle_alpha   120.034
_cell_angle_beta   90.150
_cell_angle_gamma   119.732
_symmetry_Int_Tables_number   1
_cell_volume   122.918
_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  0.751  0.501  0.250  1.0
  Sr  Sr1  1  0.249  0.499  0.750  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.235  0.500  0.230  1.0
  O  O5  1  0.288  0.034  0.247  1.0
  O  O6  1  0.712  0.966  0.753  1.0
  O  O7  1  0.773  0.004  0.273  1.0
  O  O8  1  0.765  0.500  0.770  1.0
  O  O9  1  0.227  0.996  0.727  1.0
[/CIF]
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The compound described by Sr2CrTaO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-12°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Sr2TaCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.578
_cell_length_c   5.577
_cell_angle_alpha   120.034
_cell_angle_beta   90.150
_cell_angle_gamma   119.732
_symmetry_Int_Tables_number   1
_cell_volume   122.918
_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  0.751  0.501  0.250  1.0
  Sr  Sr1  1  0.249  0.499  0.750  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.235  0.500  0.230  1.0
  O  O5  1  0.288  0.034  0.247  1.0
  O  O6  1  0.712  0.966  0.753  1.0
  O  O7  1  0.773  0.004  0.273  1.0
  O  O8  1  0.765  0.500  0.770  1.0
  O  O9  1  0.227  0.996  0.727  1.0
[/CIF]
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