The compound described by NaPrWCuO6 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Pr(1), one W(1), and one Cu(1) atom to form a mixture of edge and corner-sharing ONa2Pr2CuW octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Pr(1), one W(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.369
_cell_length_c   8.572
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.126
_cell_formula_units_Z   2
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  0.000  0.500  0.250  1.0
  Na  Na1  1  0.500  0.000  0.750  1.0
  Pr  Pr2  1  0.500  0.000  0.250  1.0
  Pr  Pr3  1  0.000  0.500  0.750  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.271  1.0
  O  O9  1  0.500  0.500  0.229  1.0
  O  O10  1  0.000  0.000  0.729  1.0
  O  O11  1  0.500  0.500  0.771  1.0
  O  O12  1  0.316  0.189  0.006  1.0
  O  O13  1  0.684  0.811  0.006  1.0
  O  O14  1  0.811  0.316  0.994  1.0
  O  O15  1  0.189  0.684  0.994  1.0
  O  O16  1  0.816  0.311  0.506  1.0
  O  O17  1  0.184  0.689  0.506  1.0
  O  O18  1  0.311  0.184  0.494  1.0
  O  O19  1  0.689  0.816  0.494  1.0
[/CIF]
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The compound described by NaPrWCuO6 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Pr(1), one W(1), and one Cu(1) atom to form a mixture of edge and corner-sharing ONa2Pr2CuW octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Pr(1), one W(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrCuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.369
_cell_length_c   8.572
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.126
_cell_formula_units_Z   2
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  0.000  0.500  0.250  1.0
  Na  Na1  1  0.500  0.000  0.750  1.0
  Pr  Pr2  1  0.500  0.000  0.250  1.0
  Pr  Pr3  1  0.000  0.500  0.750  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.271  1.0
  O  O9  1  0.500  0.500  0.229  1.0
  O  O10  1  0.000  0.000  0.729  1.0
  O  O11  1  0.500  0.500  0.771  1.0
  O  O12  1  0.316  0.189  0.006  1.0
  O  O13  1  0.684  0.811  0.006  1.0
  O  O14  1  0.811  0.316  0.994  1.0
  O  O15  1  0.189  0.684  0.994  1.0
  O  O16  1  0.816  0.311  0.506  1.0
  O  O17  1  0.184  0.689  0.506  1.0
  O  O18  1  0.311  0.184  0.494  1.0
  O  O19  1  0.689  0.816  0.494  1.0
[/CIF]
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