The compound described by ZrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent O(1) atoms to form ZrO12 cuboctahedra that share corners with twelve equivalent Zr(1)O12 cuboctahedra, faces with six equivalent Zr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Zr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Zr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   3.672
_cell_length_c   3.672
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.524
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by ZrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Zr(1) is bonded to twelve equivalent O(1) atoms to form ZrO12 cuboctahedra that share corners with twelve equivalent Zr(1)O12 cuboctahedra, faces with six equivalent Zr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Zr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Zr(1) and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_ZrAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   3.672
_cell_length_c   3.672
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   49.524
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
[/CIF]
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