The compound described by LiPr2Ta2O7Cl2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(3), one O(4), and two equivalent Cl(2) atoms to form distorted LiCl2O2 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Li(1)Cl2O2 tetrahedra, and  an edgeedge with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-75°. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(7), two equivalent O(3), two equivalent O(5), one Cl(2), and two equivalent Cl(1) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(6), two equivalent O(7), one Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Li(1)Cl2O2 tetrahedra, and  an edgeedge with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Ta site, Ta(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Li(1)Cl2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Pr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Pr(2) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded to one Li(1), two equivalent Pr(1), one Ta(1), and one Ta(2) atom to form distorted OLiPr2Ta2 trigonal bipyramids that share corners with two equivalent O(5)Pr3Ta tetrahedra, corners with three equivalent O(7)Pr3Ta tetrahedra, corners with two equivalent O(3)LiPr2Ta2 trigonal bipyramids,  an edgeedge with one O(6)Pr2Ta2 trigonal pyramid, and  a faceface with one O(5)Pr3Ta tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fifth O site, O(5) is bonded to one Pr(2), two equivalent Pr(1), and one Ta(1) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(5)Pr3Ta tetrahedra, corners with two equivalent O(3)LiPr2Ta2 trigonal bipyramids, corners with three equivalent O(6)Pr2Ta2 trigonal pyramids, edges with two equivalent O(7)Pr3Ta tetrahedra, and  a faceface with one O(3)LiPr2Ta2 trigonal bipyramid. In the sixth O site, O(6) is bonded to two equivalent Pr(2), one Ta(1), and one Ta(2) atom to form distorted OPr2Ta2 trigonal pyramids that share corners with two equivalent O(7)Pr3Ta tetrahedra, corners with three equivalent O(5)Pr3Ta tetrahedra, corners with two equivalent O(6)Pr2Ta2 trigonal pyramids,  an edgeedge with one O(3)LiPr2Ta2 trigonal bipyramid, and  a faceface with one O(7)Pr3Ta tetrahedra. In the seventh O site, O(7) is bonded to one Pr(1), two equivalent Pr(2), and one Ta(2) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(7)Pr3Ta tetrahedra, corners with three equivalent O(3)LiPr2Ta2 trigonal bipyramids, corners with two equivalent O(6)Pr2Ta2 trigonal pyramids, edges with two equivalent O(5)Pr3Ta tetrahedra, and  a faceface with one O(6)Pr2Ta2 trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF file [CIF]
data_LiPr2Ta2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.033
_cell_length_b   6.876
_cell_length_c   8.257
_cell_angle_alpha   110.518
_cell_angle_beta   104.130
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   207.028
_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  0.870  0.550  0.741  1.0
  Pr  Pr1  1  0.308  0.882  0.616  1.0
  Pr  Pr2  1  0.674  0.161  0.349  1.0
  Ta  Ta3  1  0.958  0.216  0.916  1.0
  Ta  Ta4  1  0.038  0.827  0.076  1.0
  Cl  Cl5  1  0.685  0.596  0.371  1.0
  Cl  Cl6  1  0.307  0.442  0.614  1.0
  O  O7  1  0.449  0.189  0.898  1.0
  O  O8  1  0.544  0.840  0.089  1.0
  O  O9  1  0.916  0.852  0.834  1.0
  O  O10  1  0.986  0.515  0.972  1.0
  O  O11  1  0.821  0.099  0.643  1.0
  O  O12  1  0.071  0.166  0.143  1.0
  O  O13  1  0.173  0.953  0.347  1.0
[/CIF]
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The compound described by LiPr2Ta2O7Cl2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(3), one O(4), and two equivalent Cl(2) atoms to form distorted LiCl2O2 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Li(1)Cl2O2 tetrahedra, and  an edgeedge with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-75°. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one O(1), one O(7), two equivalent O(3), two equivalent O(5), one Cl(2), and two equivalent Cl(1) atoms. In the second Pr site, Pr(2) is bonded in a 9-coordinate geometry to one O(2), one O(5), two equivalent O(6), two equivalent O(7), one Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Li(1)Cl2O2 tetrahedra, and  an edgeedge with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Ta site, Ta(2) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Li(1)Cl2O2 tetrahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Pr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Pr(2) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded to one Li(1), two equivalent Pr(1), one Ta(1), and one Ta(2) atom to form distorted OLiPr2Ta2 trigonal bipyramids that share corners with two equivalent O(5)Pr3Ta tetrahedra, corners with three equivalent O(7)Pr3Ta tetrahedra, corners with two equivalent O(3)LiPr2Ta2 trigonal bipyramids,  an edgeedge with one O(6)Pr2Ta2 trigonal pyramid, and  a faceface with one O(5)Pr3Ta tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fifth O site, O(5) is bonded to one Pr(2), two equivalent Pr(1), and one Ta(1) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(5)Pr3Ta tetrahedra, corners with two equivalent O(3)LiPr2Ta2 trigonal bipyramids, corners with three equivalent O(6)Pr2Ta2 trigonal pyramids, edges with two equivalent O(7)Pr3Ta tetrahedra, and  a faceface with one O(3)LiPr2Ta2 trigonal bipyramid. In the sixth O site, O(6) is bonded to two equivalent Pr(2), one Ta(1), and one Ta(2) atom to form distorted OPr2Ta2 trigonal pyramids that share corners with two equivalent O(7)Pr3Ta tetrahedra, corners with three equivalent O(5)Pr3Ta tetrahedra, corners with two equivalent O(6)Pr2Ta2 trigonal pyramids,  an edgeedge with one O(3)LiPr2Ta2 trigonal bipyramid, and  a faceface with one O(7)Pr3Ta tetrahedra. In the seventh O site, O(7) is bonded to one Pr(1), two equivalent Pr(2), and one Ta(2) atom to form distorted OPr3Ta tetrahedra that share corners with two equivalent O(7)Pr3Ta tetrahedra, corners with three equivalent O(3)LiPr2Ta2 trigonal bipyramids, corners with two equivalent O(6)Pr2Ta2 trigonal pyramids, edges with two equivalent O(5)Pr3Ta tetrahedra, and  a faceface with one O(6)Pr2Ta2 trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one Pr(1), and two equivalent Pr(2) atoms. is represented by the CIF file [CIF]
data_LiPr2Ta2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.033
_cell_length_b   6.876
_cell_length_c   8.257
_cell_angle_alpha   110.518
_cell_angle_beta   104.130
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   207.028
_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  0.870  0.550  0.741  1.0
  Pr  Pr1  1  0.308  0.882  0.616  1.0
  Pr  Pr2  1  0.674  0.161  0.349  1.0
  Ta  Ta3  1  0.958  0.216  0.916  1.0
  Ta  Ta4  1  0.038  0.827  0.076  1.0
  Cl  Cl5  1  0.685  0.596  0.371  1.0
  Cl  Cl6  1  0.307  0.442  0.614  1.0
  O  O7  1  0.449  0.189  0.898  1.0
  O  O8  1  0.544  0.840  0.089  1.0
  O  O9  1  0.916  0.852  0.834  1.0
  O  O10  1  0.986  0.515  0.972  1.0
  O  O11  1  0.821  0.099  0.643  1.0
  O  O12  1  0.071  0.166  0.143  1.0
  O  O13  1  0.173  0.953  0.347  1.0
[/CIF]
.