The crystal structure described by LiPr2Ta2O7Cl2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form LiCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra and edges with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedra are not tilted. Pr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(4), and three equivalent Cl(1) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Pr(1), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Ta(1) atoms to form distorted OPr2Ta2 trigonal pyramids that share corners with four equivalent Cl(1)LiPr3 tetrahedra, corners with five equivalent O(4)Pr3Ta tetrahedra, corners with two equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one Cl(1)LiPr3 tetrahedra,  an edgeedge with one O(2)Pr2Ta2 trigonal pyramid, and  a faceface with one O(4)Pr3Ta tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Pr(1) and one Ta(1) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(4)Pr3Ta tetrahedra, corners with seven equivalent Cl(1)LiPr3 tetrahedra, corners with five equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one Cl(1)LiPr3 tetrahedra, edges with two equivalent O(4)Pr3Ta tetrahedra, and  a faceface with one O(2)Pr2Ta2 trigonal pyramid. Cl(1) is bonded to one Li(1) and three equivalent Pr(1) atoms to form ClLiPr3 tetrahedra that share corners with three equivalent Cl(1)LiPr3 tetrahedra, corners with seven equivalent O(4)Pr3Ta tetrahedra, corners with four equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one O(4)Pr3Ta tetrahedra, edges with two equivalent Cl(1)LiPr3 tetrahedra, and  an edgeedge with one O(2)Pr2Ta2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPr2Ta2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   7.037
_cell_length_c   8.067
_cell_angle_alpha   113.474
_cell_angle_beta   104.550
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   203.053
_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  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.309  0.845  0.619  1.0
  Pr  Pr2  1  0.691  0.155  0.381  1.0
  Ta  Ta3  1  0.965  0.192  0.929  1.0
  Ta  Ta4  1  0.035  0.808  0.071  1.0
  Cl  Cl5  1  0.679  0.563  0.358  1.0
  Cl  Cl6  1  0.321  0.437  0.642  1.0
  O  O7  1  0.458  0.186  0.916  1.0
  O  O8  1  0.542  0.814  0.084  1.0
  O  O9  1  0.919  0.851  0.837  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.823  0.067  0.647  1.0
  O  O12  1  0.081  0.149  0.163  1.0
  O  O13  1  0.177  0.933  0.353  1.0
[/CIF]
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The crystal structure described by LiPr2Ta2O7Cl2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form LiCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra and edges with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedra are not tilted. Pr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(4), and three equivalent Cl(1) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Pr(1), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Ta(1) atoms to form distorted OPr2Ta2 trigonal pyramids that share corners with four equivalent Cl(1)LiPr3 tetrahedra, corners with five equivalent O(4)Pr3Ta tetrahedra, corners with two equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one Cl(1)LiPr3 tetrahedra,  an edgeedge with one O(2)Pr2Ta2 trigonal pyramid, and  a faceface with one O(4)Pr3Ta tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Pr(1) and one Ta(1) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(4)Pr3Ta tetrahedra, corners with seven equivalent Cl(1)LiPr3 tetrahedra, corners with five equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one Cl(1)LiPr3 tetrahedra, edges with two equivalent O(4)Pr3Ta tetrahedra, and  a faceface with one O(2)Pr2Ta2 trigonal pyramid. Cl(1) is bonded to one Li(1) and three equivalent Pr(1) atoms to form ClLiPr3 tetrahedra that share corners with three equivalent Cl(1)LiPr3 tetrahedra, corners with seven equivalent O(4)Pr3Ta tetrahedra, corners with four equivalent O(2)Pr2Ta2 trigonal pyramids,  an edgeedge with one O(4)Pr3Ta tetrahedra, edges with two equivalent Cl(1)LiPr3 tetrahedra, and  an edgeedge with one O(2)Pr2Ta2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiPr2Ta2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   7.037
_cell_length_c   8.067
_cell_angle_alpha   113.474
_cell_angle_beta   104.550
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   203.053
_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  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.309  0.845  0.619  1.0
  Pr  Pr2  1  0.691  0.155  0.381  1.0
  Ta  Ta3  1  0.965  0.192  0.929  1.0
  Ta  Ta4  1  0.035  0.808  0.071  1.0
  Cl  Cl5  1  0.679  0.563  0.358  1.0
  Cl  Cl6  1  0.321  0.437  0.642  1.0
  O  O7  1  0.458  0.186  0.916  1.0
  O  O8  1  0.542  0.814  0.084  1.0
  O  O9  1  0.919  0.851  0.837  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.823  0.067  0.647  1.0
  O  O12  1  0.081  0.149  0.163  1.0
  O  O13  1  0.177  0.933  0.353  1.0
[/CIF]
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