The material described by NaPrZrTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Pr(1) is bonded to twelve equivalent O(1) atoms to form PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Pr(1), one Zr(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrZrTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   5.636
_cell_length_c   5.636
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.599
_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
  Na  Na0  1  0.250  0.250  0.250  1.0
  Pr  Pr1  1  0.750  0.750  0.750  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.757  0.243  0.243  1.0
  O  O5  1  0.243  0.757  0.757  1.0
  O  O6  1  0.757  0.243  0.757  1.0
  O  O7  1  0.243  0.757  0.243  1.0
  O  O8  1  0.757  0.757  0.243  1.0
  O  O9  1  0.243  0.243  0.757  1.0
[/CIF]
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The material described by NaPrZrTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Pr(1) is bonded to twelve equivalent O(1) atoms to form PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, faces with four equivalent Zr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with four equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent Pr(1), one Zr(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrZrTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   5.636
_cell_length_c   5.636
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   126.599
_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
  Na  Na0  1  0.250  0.250  0.250  1.0
  Pr  Pr1  1  0.750  0.750  0.750  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.757  0.243  0.243  1.0
  O  O5  1  0.243  0.757  0.757  1.0
  O  O6  1  0.757  0.243  0.757  1.0
  O  O7  1  0.243  0.757  0.243  1.0
  O  O8  1  0.757  0.757  0.243  1.0
  O  O9  1  0.243  0.243  0.757  1.0
[/CIF]
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