The compound described by Li2CuBi(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms. Bi(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   4.837
_cell_length_c   11.002
_cell_angle_alpha   89.722
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.790
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.750  0.030  0.705  1.0
  Cu  Cu5  1  0.250  0.970  0.295  1.0
  Bi  Bi6  1  0.250  0.521  0.781  1.0
  Bi  Bi7  1  0.750  0.479  0.219  1.0
  P  P8  1  0.750  0.603  0.914  1.0
  P  P9  1  0.250  0.088  0.584  1.0
  P  P10  1  0.750  0.912  0.416  1.0
  P  P11  1  0.250  0.397  0.086  1.0
  O  O12  1  0.250  0.253  0.956  1.0
  O  O13  1  0.750  0.290  0.921  1.0
  O  O14  1  0.944  0.732  0.849  1.0
  O  O15  1  0.556  0.732  0.849  1.0
  O  O16  1  0.444  0.206  0.658  1.0
  O  O17  1  0.056  0.206  0.658  1.0
  O  O18  1  0.250  0.769  0.581  1.0
  O  O19  1  0.750  0.775  0.543  1.0
  O  O20  1  0.250  0.225  0.457  1.0
  O  O21  1  0.750  0.231  0.419  1.0
  O  O22  1  0.944  0.794  0.342  1.0
  O  O23  1  0.556  0.794  0.342  1.0
  O  O24  1  0.444  0.268  0.151  1.0
  O  O25  1  0.056  0.268  0.151  1.0
  O  O26  1  0.250  0.710  0.079  1.0
  O  O27  1  0.750  0.747  0.044  1.0
[/CIF]
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The compound described by Li2CuBi(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms. Bi(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Bi(1), and one P(1) atom to form distorted corner-sharing OLi2BiP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Cu(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CuBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   4.837
_cell_length_c   11.002
_cell_angle_alpha   89.722
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.790
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.750  0.030  0.705  1.0
  Cu  Cu5  1  0.250  0.970  0.295  1.0
  Bi  Bi6  1  0.250  0.521  0.781  1.0
  Bi  Bi7  1  0.750  0.479  0.219  1.0
  P  P8  1  0.750  0.603  0.914  1.0
  P  P9  1  0.250  0.088  0.584  1.0
  P  P10  1  0.750  0.912  0.416  1.0
  P  P11  1  0.250  0.397  0.086  1.0
  O  O12  1  0.250  0.253  0.956  1.0
  O  O13  1  0.750  0.290  0.921  1.0
  O  O14  1  0.944  0.732  0.849  1.0
  O  O15  1  0.556  0.732  0.849  1.0
  O  O16  1  0.444  0.206  0.658  1.0
  O  O17  1  0.056  0.206  0.658  1.0
  O  O18  1  0.250  0.769  0.581  1.0
  O  O19  1  0.750  0.775  0.543  1.0
  O  O20  1  0.250  0.225  0.457  1.0
  O  O21  1  0.750  0.231  0.419  1.0
  O  O22  1  0.944  0.794  0.342  1.0
  O  O23  1  0.556  0.794  0.342  1.0
  O  O24  1  0.444  0.268  0.151  1.0
  O  O25  1  0.056  0.268  0.151  1.0
  O  O26  1  0.250  0.710  0.079  1.0
  O  O27  1  0.750  0.747  0.044  1.0
[/CIF]
.