The crystal structure described by K2LiNb2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(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. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), and one O(3) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(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), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Nb(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Nb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Nb(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2LiNb2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.211
_cell_length_b   6.601
_cell_length_c   5.316
_cell_angle_alpha   90.380
_cell_angle_beta   87.086
_cell_angle_gamma   93.285
_symmetry_Int_Tables_number   1
_cell_volume   357.258
_cell_formula_units_Z   1
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  0.225  0.360  0.260  1.0
  K  K1  1  0.768  0.927  0.753  1.0
  Li  Li2  1  0.053  0.842  0.263  1.0
  Nb  Nb3  1  0.340  0.764  0.790  1.0
  Nb  Nb4  1  0.654  0.299  0.223  1.0
  P  P5  1  0.428  0.270  0.729  1.0
  P  P6  1  0.560  0.781  0.287  1.0
  C  C7  1  0.088  0.735  0.693  1.0
  C  C8  1  0.892  0.211  0.268  1.0
  O  O9  1  0.998  0.123  0.290  1.0
  O  O10  1  0.125  0.740  0.927  1.0
  O  O11  1  0.189  0.740  0.520  1.0
  O  O12  1  0.339  0.076  0.796  1.0
  O  O13  1  0.334  0.447  0.777  1.0
  O  O14  1  0.439  0.748  0.127  1.0
  O  O15  1  0.472  0.270  0.447  1.0
  O  O16  1  0.522  0.788  0.571  1.0
  O  O17  1  0.545  0.290  0.897  1.0
  O  O18  1  0.643  0.977  0.211  1.0
  O  O19  1  0.655  0.604  0.238  1.0
  O  O20  1  0.811  0.253  0.462  1.0
  O  O21  1  0.847  0.259  0.050  1.0
  O  O22  1  0.973  0.731  0.623  1.0
[/CIF]
.
The crystal structure described by K2LiNb2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(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. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), and one O(3) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-45°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Nb(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Nb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(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), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Nb(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(2), one Nb(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Nb(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one Nb(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Nb(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one Li(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2LiNb2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.211
_cell_length_b   6.601
_cell_length_c   5.316
_cell_angle_alpha   90.380
_cell_angle_beta   87.086
_cell_angle_gamma   93.285
_symmetry_Int_Tables_number   1
_cell_volume   357.258
_cell_formula_units_Z   1
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  0.225  0.360  0.260  1.0
  K  K1  1  0.768  0.927  0.753  1.0
  Li  Li2  1  0.053  0.842  0.263  1.0
  Nb  Nb3  1  0.340  0.764  0.790  1.0
  Nb  Nb4  1  0.654  0.299  0.223  1.0
  P  P5  1  0.428  0.270  0.729  1.0
  P  P6  1  0.560  0.781  0.287  1.0
  C  C7  1  0.088  0.735  0.693  1.0
  C  C8  1  0.892  0.211  0.268  1.0
  O  O9  1  0.998  0.123  0.290  1.0
  O  O10  1  0.125  0.740  0.927  1.0
  O  O11  1  0.189  0.740  0.520  1.0
  O  O12  1  0.339  0.076  0.796  1.0
  O  O13  1  0.334  0.447  0.777  1.0
  O  O14  1  0.439  0.748  0.127  1.0
  O  O15  1  0.472  0.270  0.447  1.0
  O  O16  1  0.522  0.788  0.571  1.0
  O  O17  1  0.545  0.290  0.897  1.0
  O  O18  1  0.643  0.977  0.211  1.0
  O  O19  1  0.655  0.604  0.238  1.0
  O  O20  1  0.811  0.253  0.462  1.0
  O  O21  1  0.847  0.259  0.050  1.0
  O  O22  1  0.973  0.731  0.623  1.0
[/CIF]
.