The crystal structure described by Sr2CrZrO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. 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 Zr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2ZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   5.689
_cell_length_c   5.690
_cell_angle_alpha   119.693
_cell_angle_beta   119.679
_cell_angle_gamma   90.527
_symmetry_Int_Tables_number   1
_cell_volume   130.848
_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
  Cr  Cr0  1  0.000  1.000  1.000  1.0
  O  O1  1  0.762  0.762  0.000  1.0
  O  O2  1  0.238  0.238  1.000  1.0
  O  O3  1  0.758  0.759  0.517  1.0
  O  O4  1  0.242  0.241  0.483  1.0
  O  O5  1  0.759  0.241  1.000  1.0
  O  O6  1  0.241  0.759  0.000  1.0
  Sr  Sr7  1  0.250  0.750  0.500  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Zr  Zr9  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Sr2CrZrO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. 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 Zr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Zr(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2ZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.689
_cell_length_b   5.689
_cell_length_c   5.690
_cell_angle_alpha   119.693
_cell_angle_beta   119.679
_cell_angle_gamma   90.527
_symmetry_Int_Tables_number   1
_cell_volume   130.848
_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
  Cr  Cr0  1  0.000  1.000  1.000  1.0
  O  O1  1  0.762  0.762  0.000  1.0
  O  O2  1  0.238  0.238  1.000  1.0
  O  O3  1  0.758  0.759  0.517  1.0
  O  O4  1  0.242  0.241  0.483  1.0
  O  O5  1  0.759  0.241  1.000  1.0
  O  O6  1  0.241  0.759  0.000  1.0
  Sr  Sr7  1  0.250  0.750  0.500  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Zr  Zr9  1  0.500  0.500  0.000  1.0
[/CIF]
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