The structure described by Li3YbCPO7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), 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 4-coordinate geometry to one Li(2), two equivalent Li(1), one Yb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Yb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Yb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Yb(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Yb(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Yb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3YbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   5.034
_cell_length_c   8.613
_cell_angle_alpha   89.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.680
_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  0.511  0.984  0.010  1.0
  Li  Li1  1  0.811  0.503  0.150  1.0
  Li  Li2  1  0.490  0.531  0.478  1.0
  Li  Li3  1  0.990  0.469  0.522  1.0
  Li  Li4  1  0.311  0.497  0.850  1.0
  Li  Li5  1  0.011  0.016  0.990  1.0
  Yb  Yb6  1  0.230  0.029  0.305  1.0
  Yb  Yb7  1  0.730  0.971  0.695  1.0
  P  P8  1  0.766  0.985  0.315  1.0
  P  P9  1  0.266  0.015  0.685  1.0
  C  C10  1  0.261  0.522  0.142  1.0
  C  C11  1  0.761  0.478  0.858  1.0
  O  O12  1  0.287  0.720  0.048  1.0
  O  O13  1  0.206  0.293  0.085  1.0
  O  O14  1  0.919  0.860  0.198  1.0
  O  O15  1  0.561  0.044  0.236  1.0
  O  O16  1  0.285  0.547  0.291  1.0
  O  O17  1  0.861  0.246  0.374  1.0
  O  O18  1  0.738  0.785  0.452  1.0
  O  O19  1  0.238  0.215  0.548  1.0
  O  O20  1  0.361  0.754  0.626  1.0
  O  O21  1  0.785  0.453  0.709  1.0
  O  O22  1  0.061  0.956  0.764  1.0
  O  O23  1  0.419  0.140  0.802  1.0
  O  O24  1  0.706  0.707  0.915  1.0
  O  O25  1  0.787  0.280  0.952  1.0
[/CIF]
.
The structure described by Li3YbCPO7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), 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 4-coordinate geometry to one Li(2), two equivalent Li(1), one Yb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(1), one Yb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Yb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Yb(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), one Yb(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Yb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3YbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.612
_cell_length_b   5.034
_cell_length_c   8.613
_cell_angle_alpha   89.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.680
_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  0.511  0.984  0.010  1.0
  Li  Li1  1  0.811  0.503  0.150  1.0
  Li  Li2  1  0.490  0.531  0.478  1.0
  Li  Li3  1  0.990  0.469  0.522  1.0
  Li  Li4  1  0.311  0.497  0.850  1.0
  Li  Li5  1  0.011  0.016  0.990  1.0
  Yb  Yb6  1  0.230  0.029  0.305  1.0
  Yb  Yb7  1  0.730  0.971  0.695  1.0
  P  P8  1  0.766  0.985  0.315  1.0
  P  P9  1  0.266  0.015  0.685  1.0
  C  C10  1  0.261  0.522  0.142  1.0
  C  C11  1  0.761  0.478  0.858  1.0
  O  O12  1  0.287  0.720  0.048  1.0
  O  O13  1  0.206  0.293  0.085  1.0
  O  O14  1  0.919  0.860  0.198  1.0
  O  O15  1  0.561  0.044  0.236  1.0
  O  O16  1  0.285  0.547  0.291  1.0
  O  O17  1  0.861  0.246  0.374  1.0
  O  O18  1  0.738  0.785  0.452  1.0
  O  O19  1  0.238  0.215  0.548  1.0
  O  O20  1  0.361  0.754  0.626  1.0
  O  O21  1  0.785  0.453  0.709  1.0
  O  O22  1  0.061  0.956  0.764  1.0
  O  O23  1  0.419  0.140  0.802  1.0
  O  O24  1  0.706  0.707  0.915  1.0
  O  O25  1  0.787  0.280  0.952  1.0
[/CIF]
.