The material described by LiPa2Pr2O8 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Pa(1)O6 pentagonal pyramids. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted PaO6 pentagonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra. In the second Pa site, Pa(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Pa(2), one Pr(1), and one Pr(2) atom. In the second O site, O(2) is bonded to one Pa(1), one Pa(2), one Pr(1), and one Pr(2) atom to form a mixture of corner and edge-sharing OPr2Pa2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Pa(1), one Pa(2), and one Pr(1) atom. In the fourth O site, O(4) is bonded to one Pa(1), one Pa(2), one Pr(1), and one Pr(2) atom to form a mixture of corner and edge-sharing OPr2Pa2 tetrahedra. is represented by the CIF card [CIF]
data_LiPr2Pa2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.320
_cell_length_b   11.499
_cell_length_c   7.322
_cell_angle_alpha   26.329
_cell_angle_beta   50.473
_cell_angle_gamma   35.858
_symmetry_Int_Tables_number   1
_cell_volume   191.266
_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  0.549  0.500  0.000  1.0
  Pr  Pr1  1  0.004  0.000  0.000  1.0
  Pr  Pr2  1  0.829  0.500  0.000  1.0
  Pa  Pa3  1  0.571  0.000  0.000  1.0
  Pa  Pa4  1  0.236  0.500  0.000  1.0
  O  O5  1  0.373  0.927  0.746  1.0
  O  O6  1  0.185  0.451  0.798  1.0
  O  O7  1  0.383  0.359  0.402  1.0
  O  O8  1  0.894  0.991  0.772  1.0
  O  O9  1  0.974  0.073  0.254  1.0
  O  O10  1  0.502  0.641  0.598  1.0
  O  O11  1  0.885  0.549  0.202  1.0
  O  O12  1  0.649  0.009  0.228  1.0
[/CIF]
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The material described by LiPa2Pr2O8 crystallizes in the monoclinic C2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Pa(1)O6 pentagonal pyramids. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted PaO6 pentagonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra. In the second Pa site, Pa(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Pa(2), one Pr(1), and one Pr(2) atom. In the second O site, O(2) is bonded to one Pa(1), one Pa(2), one Pr(1), and one Pr(2) atom to form a mixture of corner and edge-sharing OPr2Pa2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Pa(1), one Pa(2), and one Pr(1) atom. In the fourth O site, O(4) is bonded to one Pa(1), one Pa(2), one Pr(1), and one Pr(2) atom to form a mixture of corner and edge-sharing OPr2Pa2 tetrahedra. is represented by the CIF card [CIF]
data_LiPr2Pa2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.320
_cell_length_b   11.499
_cell_length_c   7.322
_cell_angle_alpha   26.329
_cell_angle_beta   50.473
_cell_angle_gamma   35.858
_symmetry_Int_Tables_number   1
_cell_volume   191.266
_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  0.549  0.500  0.000  1.0
  Pr  Pr1  1  0.004  0.000  0.000  1.0
  Pr  Pr2  1  0.829  0.500  0.000  1.0
  Pa  Pa3  1  0.571  0.000  0.000  1.0
  Pa  Pa4  1  0.236  0.500  0.000  1.0
  O  O5  1  0.373  0.927  0.746  1.0
  O  O6  1  0.185  0.451  0.798  1.0
  O  O7  1  0.383  0.359  0.402  1.0
  O  O8  1  0.894  0.991  0.772  1.0
  O  O9  1  0.974  0.073  0.254  1.0
  O  O10  1  0.502  0.641  0.598  1.0
  O  O11  1  0.885  0.549  0.202  1.0
  O  O12  1  0.649  0.009  0.228  1.0
[/CIF]
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