The structure described by Li2LuCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), 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(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Lu(1), and one C(1) atom to form distorted edge-sharing OLi2LuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Lu(1), and one C(1) atom to form distorted edge-sharing OLi2LuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Lu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Lu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Lu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2LuPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.709
_cell_length_b   4.891
_cell_length_c   8.935
_cell_angle_alpha   87.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.039
_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  0.992  0.792  0.794  1.0
  Li  Li1  1  0.508  0.792  0.794  1.0
  Li  Li2  1  0.492  0.208  0.206  1.0
  Li  Li3  1  0.008  0.208  0.206  1.0
  Lu  Lu4  1  0.250  0.248  0.641  1.0
  Lu  Lu5  1  0.750  0.752  0.359  1.0
  P  P6  1  0.750  0.279  0.588  1.0
  P  P7  1  0.250  0.721  0.412  1.0
  C  C8  1  0.250  0.258  0.942  1.0
  C  C9  1  0.750  0.742  0.058  1.0
  O  O10  1  0.750  0.720  0.917  1.0
  O  O11  1  0.250  0.022  0.876  1.0
  O  O12  1  0.250  0.474  0.848  1.0
  O  O13  1  0.937  0.157  0.665  1.0
  O  O14  1  0.563  0.157  0.665  1.0
  O  O15  1  0.250  0.781  0.584  1.0
  O  O16  1  0.750  0.597  0.594  1.0
  O  O17  1  0.250  0.403  0.406  1.0
  O  O18  1  0.750  0.219  0.416  1.0
  O  O19  1  0.437  0.843  0.335  1.0
  O  O20  1  0.063  0.843  0.335  1.0
  O  O21  1  0.750  0.526  0.152  1.0
  O  O22  1  0.750  0.978  0.124  1.0
  O  O23  1  0.250  0.280  0.083  1.0
[/CIF]
.
The structure described by Li2LuCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), 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(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Lu(1), and one C(1) atom to form distorted edge-sharing OLi2LuC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Lu(1), and one C(1) atom to form distorted edge-sharing OLi2LuC trigonal pyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Lu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Lu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Lu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2LuPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.709
_cell_length_b   4.891
_cell_length_c   8.935
_cell_angle_alpha   87.988
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.039
_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  0.992  0.792  0.794  1.0
  Li  Li1  1  0.508  0.792  0.794  1.0
  Li  Li2  1  0.492  0.208  0.206  1.0
  Li  Li3  1  0.008  0.208  0.206  1.0
  Lu  Lu4  1  0.250  0.248  0.641  1.0
  Lu  Lu5  1  0.750  0.752  0.359  1.0
  P  P6  1  0.750  0.279  0.588  1.0
  P  P7  1  0.250  0.721  0.412  1.0
  C  C8  1  0.250  0.258  0.942  1.0
  C  C9  1  0.750  0.742  0.058  1.0
  O  O10  1  0.750  0.720  0.917  1.0
  O  O11  1  0.250  0.022  0.876  1.0
  O  O12  1  0.250  0.474  0.848  1.0
  O  O13  1  0.937  0.157  0.665  1.0
  O  O14  1  0.563  0.157  0.665  1.0
  O  O15  1  0.250  0.781  0.584  1.0
  O  O16  1  0.750  0.597  0.594  1.0
  O  O17  1  0.250  0.403  0.406  1.0
  O  O18  1  0.750  0.219  0.416  1.0
  O  O19  1  0.437  0.843  0.335  1.0
  O  O20  1  0.063  0.843  0.335  1.0
  O  O21  1  0.750  0.526  0.152  1.0
  O  O22  1  0.750  0.978  0.124  1.0
  O  O23  1  0.250  0.280  0.083  1.0
[/CIF]
.