The material structure described by K2CaPrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted KO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent K(2)O6 octahedra, and edges with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second K site, K(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted KO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent K(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent K(2)O6 octahedra, and edges with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with six equivalent K(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one K(2), two equivalent K(1), two equivalent Ca(1), and one Pr(1) atom to form OK3Ca2Pr octahedra that share corners with six equivalent O(1)K3Ca2Pr octahedra, edges with four equivalent O(1)K3Ca2Pr octahedra, and edges with eight equivalent O(2)K3CaPr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Ca(1), and two equivalent Pr(1) atoms to form OK3CaPr2 octahedra that share corners with six equivalent O(2)K3CaPr2 octahedra, edges with four equivalent O(2)K3CaPr2 octahedra, and edges with eight equivalent O(1)K3Ca2Pr octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K2CaPrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.651
_cell_length_b   6.177
_cell_length_c   6.621
_cell_angle_alpha   72.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.343
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.000  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.737  0.304  1.0
  O  O5  1  0.000  0.231  0.304  1.0
  O  O6  1  0.500  0.263  0.696  1.0
  O  O7  1  0.000  0.769  0.696  1.0
[/CIF]
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The material structure described by K2CaPrO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted KO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent K(2)O6 octahedra, and edges with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second K site, K(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted KO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent K(1)O6 octahedra, edges with two equivalent K(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent K(2)O6 octahedra, and edges with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form PrO6 octahedra that share corners with six equivalent K(2)O6 octahedra, edges with two equivalent K(2)O6 octahedra, edges with two equivalent Pr(1)O6 octahedra, edges with four equivalent K(1)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one K(2), two equivalent K(1), two equivalent Ca(1), and one Pr(1) atom to form OK3Ca2Pr octahedra that share corners with six equivalent O(1)K3Ca2Pr octahedra, edges with four equivalent O(1)K3Ca2Pr octahedra, and edges with eight equivalent O(2)K3CaPr2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one K(1), two equivalent K(2), one Ca(1), and two equivalent Pr(1) atoms to form OK3CaPr2 octahedra that share corners with six equivalent O(2)K3CaPr2 octahedra, edges with four equivalent O(2)K3CaPr2 octahedra, and edges with eight equivalent O(1)K3Ca2Pr octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K2CaPrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.651
_cell_length_b   6.177
_cell_length_c   6.621
_cell_angle_alpha   72.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.343
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.000  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.737  0.304  1.0
  O  O5  1  0.000  0.231  0.304  1.0
  O  O6  1  0.500  0.263  0.696  1.0
  O  O7  1  0.000  0.769  0.696  1.0
[/CIF]
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