The structure described by LiPr2Zn2(PO)2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Zn(2), three equivalent P(1), and one O(1) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to three equivalent P(2), one O(1), and three equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing PrO4 trigonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted corner-sharing ZnP4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one Li(1), one P(2), and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Zn(1), and three equivalent Zn(2) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Pr(1), one Zn(2), and three equivalent Zn(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Pr(1), and three equivalent Pr(2) atoms to form distorted OLiPr4 trigonal bipyramids that share corners with six equivalent O(1)LiPr4 trigonal bipyramids and edges with three equivalent O(2)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(2) and three equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent O(2)Pr4 tetrahedra and edges with three equivalent O(1)LiPr4 trigonal bipyramids. is represented by the CIF card [CIF]
data_LiPr2Zn2(PO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.395
_cell_length_b   11.395
_cell_length_c   11.396
_cell_angle_alpha   20.766
_cell_angle_beta   20.766
_cell_angle_gamma   20.767
_symmetry_Int_Tables_number   1
_cell_volume   162.838
_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
  Li  Li0  1  0.751  0.751  0.750  1.0
  Pr  Pr1  1  0.615  0.615  0.615  1.0
  Pr  Pr2  1  0.367  0.367  0.366  1.0
  Zn  Zn3  1  0.201  0.201  0.201  1.0
  Zn  Zn4  1  0.817  0.817  0.818  1.0
  P  P5  1  0.117  0.117  0.117  1.0
  P  P6  1  0.888  0.888  0.888  1.0
  O  O7  1  0.694  0.694  0.694  1.0
  O  O8  1  0.299  0.299  0.299  1.0
[/CIF]
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The structure described by LiPr2Zn2(PO)2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Zn(2), three equivalent P(1), and one O(1) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 4-coordinate geometry to three equivalent P(2), one O(1), and three equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing PrO4 trigonal pyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form distorted corner-sharing ZnP4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one Li(1), one P(2), and three equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Zn(1), and three equivalent Zn(2) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Pr(1), one Zn(2), and three equivalent Zn(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Pr(1), and three equivalent Pr(2) atoms to form distorted OLiPr4 trigonal bipyramids that share corners with six equivalent O(1)LiPr4 trigonal bipyramids and edges with three equivalent O(2)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(2) and three equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with six equivalent O(2)Pr4 tetrahedra and edges with three equivalent O(1)LiPr4 trigonal bipyramids. is represented by the CIF card [CIF]
data_LiPr2Zn2(PO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.395
_cell_length_b   11.395
_cell_length_c   11.396
_cell_angle_alpha   20.766
_cell_angle_beta   20.766
_cell_angle_gamma   20.767
_symmetry_Int_Tables_number   1
_cell_volume   162.838
_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
  Li  Li0  1  0.751  0.751  0.750  1.0
  Pr  Pr1  1  0.615  0.615  0.615  1.0
  Pr  Pr2  1  0.367  0.367  0.366  1.0
  Zn  Zn3  1  0.201  0.201  0.201  1.0
  Zn  Zn4  1  0.817  0.817  0.818  1.0
  P  P5  1  0.117  0.117  0.117  1.0
  P  P6  1  0.888  0.888  0.888  1.0
  O  O7  1  0.694  0.694  0.694  1.0
  O  O8  1  0.299  0.299  0.299  1.0
[/CIF]
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