The structure described by LiPrCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(7) atom. Pr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pr(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Pr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Pr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Pr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiPrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.089
_cell_length_b   4.942
_cell_length_c   9.490
_cell_angle_alpha   85.178
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.328
_cell_formula_units_Z   2
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  0.555  0.750  0.775  1.0
  Li  Li1  1  0.055  0.250  0.225  1.0
  Pr  Pr2  1  0.223  0.238  0.628  1.0
  Pr  Pr3  1  0.723  0.762  0.372  1.0
  P  P4  1  0.721  0.272  0.604  1.0
  P  P5  1  0.221  0.728  0.396  1.0
  C  C6  1  0.283  0.279  0.940  1.0
  C  C7  1  0.783  0.721  0.060  1.0
  O  O8  1  0.730  0.687  0.936  1.0
  O  O9  1  0.296  0.040  0.897  1.0
  O  O10  1  0.320  0.477  0.846  1.0
  O  O11  1  0.907  0.186  0.677  1.0
  O  O12  1  0.551  0.106  0.663  1.0
  O  O13  1  0.237  0.759  0.561  1.0
  O  O14  1  0.681  0.581  0.612  1.0
  O  O15  1  0.181  0.419  0.388  1.0
  O  O16  1  0.737  0.241  0.439  1.0
  O  O17  1  0.051  0.894  0.337  1.0
  O  O18  1  0.407  0.814  0.323  1.0
  O  O19  1  0.820  0.523  0.154  1.0
  O  O20  1  0.796  0.960  0.103  1.0
  O  O21  1  0.230  0.313  0.064  1.0
[/CIF]
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The structure described by LiPrCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(7) atom. Pr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pr(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Pr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Pr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Pr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiPrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.089
_cell_length_b   4.942
_cell_length_c   9.490
_cell_angle_alpha   85.178
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.328
_cell_formula_units_Z   2
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  0.555  0.750  0.775  1.0
  Li  Li1  1  0.055  0.250  0.225  1.0
  Pr  Pr2  1  0.223  0.238  0.628  1.0
  Pr  Pr3  1  0.723  0.762  0.372  1.0
  P  P4  1  0.721  0.272  0.604  1.0
  P  P5  1  0.221  0.728  0.396  1.0
  C  C6  1  0.283  0.279  0.940  1.0
  C  C7  1  0.783  0.721  0.060  1.0
  O  O8  1  0.730  0.687  0.936  1.0
  O  O9  1  0.296  0.040  0.897  1.0
  O  O10  1  0.320  0.477  0.846  1.0
  O  O11  1  0.907  0.186  0.677  1.0
  O  O12  1  0.551  0.106  0.663  1.0
  O  O13  1  0.237  0.759  0.561  1.0
  O  O14  1  0.681  0.581  0.612  1.0
  O  O15  1  0.181  0.419  0.388  1.0
  O  O16  1  0.737  0.241  0.439  1.0
  O  O17  1  0.051  0.894  0.337  1.0
  O  O18  1  0.407  0.814  0.323  1.0
  O  O19  1  0.820  0.523  0.154  1.0
  O  O20  1  0.796  0.960  0.103  1.0
  O  O21  1  0.230  0.313  0.064  1.0
[/CIF]
.