The material described by K2LiVPO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Li(1) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted VO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Li(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent Li(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), two equivalent K(2), one Li(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2LiVPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.591
_cell_length_b   6.100
_cell_length_c   8.933
_cell_angle_alpha   66.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.441
_cell_formula_units_Z   4
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
  K  K0  1  0.897  0.696  0.389  1.0
  K  K1  1  0.397  0.304  0.111  1.0
  K  K2  1  0.640  0.616  0.529  1.0
  K  K3  1  0.140  0.384  0.971  1.0
  K  K4  1  0.860  0.616  0.029  1.0
  K  K5  1  0.360  0.384  0.471  1.0
  K  K6  1  0.603  0.696  0.889  1.0
  K  K7  1  0.103  0.304  0.611  1.0
  Li  Li8  1  0.479  0.164  0.820  1.0
  Li  Li9  1  0.021  0.164  0.320  1.0
  Li  Li10  1  0.979  0.836  0.680  1.0
  Li  Li11  1  0.521  0.836  0.180  1.0
  V  V12  1  0.206  0.914  0.436  1.0
  V  V13  1  0.706  0.086  0.064  1.0
  V  V14  1  0.294  0.914  0.936  1.0
  V  V15  1  0.794  0.086  0.564  1.0
  P  P16  1  0.890  0.269  0.795  1.0
  P  P17  1  0.610  0.269  0.295  1.0
  P  P18  1  0.390  0.731  0.705  1.0
  P  P19  1  0.110  0.731  0.205  1.0
  O  O20  1  0.740  0.809  0.204  1.0
  O  O21  1  0.056  0.960  0.193  1.0
  O  O22  1  0.602  0.095  0.946  1.0
  O  O23  1  0.812  0.335  0.650  1.0
  O  O24  1  0.830  0.232  0.954  1.0
  O  O25  1  0.556  0.040  0.307  1.0
  O  O26  1  0.962  0.480  0.761  1.0
  O  O27  1  0.240  0.191  0.296  1.0
  O  O28  1  0.898  0.095  0.446  1.0
  O  O29  1  0.462  0.520  0.739  1.0
  O  O30  1  0.688  0.335  0.150  1.0
  O  O31  1  0.330  0.768  0.546  1.0
  O  O32  1  0.670  0.232  0.454  1.0
  O  O33  1  0.312  0.665  0.850  1.0
  O  O34  1  0.538  0.480  0.261  1.0
  O  O35  1  0.102  0.905  0.554  1.0
  O  O36  1  0.760  0.809  0.704  1.0
  O  O37  1  0.038  0.520  0.239  1.0
  O  O38  1  0.444  0.960  0.693  1.0
  O  O39  1  0.170  0.768  0.046  1.0
  O  O40  1  0.188  0.665  0.350  1.0
  O  O41  1  0.398  0.905  0.054  1.0
  O  O42  1  0.944  0.040  0.807  1.0
  O  O43  1  0.260  0.191  0.796  1.0
[/CIF]
.
The material described by K2LiVPO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Li(1) is bonded to one O(2), one O(6), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. V(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted VO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Li(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), two equivalent Li(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), two equivalent K(2), one Li(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2LiVPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.591
_cell_length_b   6.100
_cell_length_c   8.933
_cell_angle_alpha   66.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.441
_cell_formula_units_Z   4
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
  K  K0  1  0.897  0.696  0.389  1.0
  K  K1  1  0.397  0.304  0.111  1.0
  K  K2  1  0.640  0.616  0.529  1.0
  K  K3  1  0.140  0.384  0.971  1.0
  K  K4  1  0.860  0.616  0.029  1.0
  K  K5  1  0.360  0.384  0.471  1.0
  K  K6  1  0.603  0.696  0.889  1.0
  K  K7  1  0.103  0.304  0.611  1.0
  Li  Li8  1  0.479  0.164  0.820  1.0
  Li  Li9  1  0.021  0.164  0.320  1.0
  Li  Li10  1  0.979  0.836  0.680  1.0
  Li  Li11  1  0.521  0.836  0.180  1.0
  V  V12  1  0.206  0.914  0.436  1.0
  V  V13  1  0.706  0.086  0.064  1.0
  V  V14  1  0.294  0.914  0.936  1.0
  V  V15  1  0.794  0.086  0.564  1.0
  P  P16  1  0.890  0.269  0.795  1.0
  P  P17  1  0.610  0.269  0.295  1.0
  P  P18  1  0.390  0.731  0.705  1.0
  P  P19  1  0.110  0.731  0.205  1.0
  O  O20  1  0.740  0.809  0.204  1.0
  O  O21  1  0.056  0.960  0.193  1.0
  O  O22  1  0.602  0.095  0.946  1.0
  O  O23  1  0.812  0.335  0.650  1.0
  O  O24  1  0.830  0.232  0.954  1.0
  O  O25  1  0.556  0.040  0.307  1.0
  O  O26  1  0.962  0.480  0.761  1.0
  O  O27  1  0.240  0.191  0.296  1.0
  O  O28  1  0.898  0.095  0.446  1.0
  O  O29  1  0.462  0.520  0.739  1.0
  O  O30  1  0.688  0.335  0.150  1.0
  O  O31  1  0.330  0.768  0.546  1.0
  O  O32  1  0.670  0.232  0.454  1.0
  O  O33  1  0.312  0.665  0.850  1.0
  O  O34  1  0.538  0.480  0.261  1.0
  O  O35  1  0.102  0.905  0.554  1.0
  O  O36  1  0.760  0.809  0.704  1.0
  O  O37  1  0.038  0.520  0.239  1.0
  O  O38  1  0.444  0.960  0.693  1.0
  O  O39  1  0.170  0.768  0.046  1.0
  O  O40  1  0.188  0.665  0.350  1.0
  O  O41  1  0.398  0.905  0.054  1.0
  O  O42  1  0.944  0.040  0.807  1.0
  O  O43  1  0.260  0.191  0.796  1.0
[/CIF]
.