The material structure described by LiKZnP2O7 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), and four equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one Li(1), and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(1) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   10.442
_cell_length_c   12.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.692
_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  0.009  0.756  0.000  1.0
  K  K1  1  0.498  0.490  0.500  1.0
  K  K2  1  0.502  0.990  0.500  1.0
  K  K3  1  0.991  0.256  0.000  1.0
  Li  Li4  1  0.038  0.475  0.250  1.0
  Li  Li5  1  0.962  0.975  0.250  1.0
  Li  Li6  1  0.038  0.475  0.750  1.0
  Li  Li7  1  0.962  0.975  0.750  1.0
  Zn  Zn8  1  0.532  0.273  0.749  1.0
  Zn  Zn9  1  0.532  0.273  0.251  1.0
  Zn  Zn10  1  0.468  0.773  0.251  1.0
  Zn  Zn11  1  0.468  0.773  0.749  1.0
  P  P12  1  0.981  0.719  0.383  1.0
  P  P13  1  0.019  0.219  0.617  1.0
  P  P14  1  0.981  0.719  0.617  1.0
  P  P15  1  0.019  0.219  0.383  1.0
  P  P16  1  0.535  0.525  0.118  1.0
  P  P17  1  0.535  0.525  0.882  1.0
  P  P18  1  0.465  0.025  0.882  1.0
  P  P19  1  0.465  0.025  0.118  1.0
  O  O20  1  0.826  0.514  0.873  1.0
  O  O21  1  0.616  0.933  0.807  1.0
  O  O22  1  0.316  0.232  0.626  1.0
  O  O23  1  0.570  0.162  0.127  1.0
  O  O24  1  0.570  0.162  0.873  1.0
  O  O25  1  0.919  0.084  0.627  1.0
  O  O26  1  0.118  0.815  0.307  1.0
  O  O27  1  0.945  0.276  0.500  1.0
  O  O28  1  0.919  0.084  0.373  1.0
  O  O29  1  0.616  0.933  0.193  1.0
  O  O30  1  0.826  0.514  0.127  1.0
  O  O31  1  0.316  0.232  0.374  1.0
  O  O32  1  0.174  0.014  0.127  1.0
  O  O33  1  0.384  0.433  0.807  1.0
  O  O34  1  0.081  0.584  0.373  1.0
  O  O35  1  0.174  0.014  0.873  1.0
  O  O36  1  0.882  0.315  0.693  1.0
  O  O37  1  0.445  0.476  0.000  1.0
  O  O38  1  0.430  0.662  0.127  1.0
  O  O39  1  0.555  0.976  0.000  1.0
  O  O40  1  0.118  0.815  0.693  1.0
  O  O41  1  0.882  0.315  0.307  1.0
  O  O42  1  0.081  0.584  0.627  1.0
  O  O43  1  0.430  0.662  0.873  1.0
  O  O44  1  0.684  0.732  0.626  1.0
  O  O45  1  0.684  0.732  0.374  1.0
  O  O46  1  0.055  0.776  0.500  1.0
  O  O47  1  0.384  0.433  0.193  1.0
[/CIF]
.
The material structure described by LiKZnP2O7 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(4), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(5), and four equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one P(2) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Zn(1), and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one K(2), one Li(1), and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Zn(1), and one P(1) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(2) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   10.442
_cell_length_c   12.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.692
_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  0.009  0.756  0.000  1.0
  K  K1  1  0.498  0.490  0.500  1.0
  K  K2  1  0.502  0.990  0.500  1.0
  K  K3  1  0.991  0.256  0.000  1.0
  Li  Li4  1  0.038  0.475  0.250  1.0
  Li  Li5  1  0.962  0.975  0.250  1.0
  Li  Li6  1  0.038  0.475  0.750  1.0
  Li  Li7  1  0.962  0.975  0.750  1.0
  Zn  Zn8  1  0.532  0.273  0.749  1.0
  Zn  Zn9  1  0.532  0.273  0.251  1.0
  Zn  Zn10  1  0.468  0.773  0.251  1.0
  Zn  Zn11  1  0.468  0.773  0.749  1.0
  P  P12  1  0.981  0.719  0.383  1.0
  P  P13  1  0.019  0.219  0.617  1.0
  P  P14  1  0.981  0.719  0.617  1.0
  P  P15  1  0.019  0.219  0.383  1.0
  P  P16  1  0.535  0.525  0.118  1.0
  P  P17  1  0.535  0.525  0.882  1.0
  P  P18  1  0.465  0.025  0.882  1.0
  P  P19  1  0.465  0.025  0.118  1.0
  O  O20  1  0.826  0.514  0.873  1.0
  O  O21  1  0.616  0.933  0.807  1.0
  O  O22  1  0.316  0.232  0.626  1.0
  O  O23  1  0.570  0.162  0.127  1.0
  O  O24  1  0.570  0.162  0.873  1.0
  O  O25  1  0.919  0.084  0.627  1.0
  O  O26  1  0.118  0.815  0.307  1.0
  O  O27  1  0.945  0.276  0.500  1.0
  O  O28  1  0.919  0.084  0.373  1.0
  O  O29  1  0.616  0.933  0.193  1.0
  O  O30  1  0.826  0.514  0.127  1.0
  O  O31  1  0.316  0.232  0.374  1.0
  O  O32  1  0.174  0.014  0.127  1.0
  O  O33  1  0.384  0.433  0.807  1.0
  O  O34  1  0.081  0.584  0.373  1.0
  O  O35  1  0.174  0.014  0.873  1.0
  O  O36  1  0.882  0.315  0.693  1.0
  O  O37  1  0.445  0.476  0.000  1.0
  O  O38  1  0.430  0.662  0.127  1.0
  O  O39  1  0.555  0.976  0.000  1.0
  O  O40  1  0.118  0.815  0.693  1.0
  O  O41  1  0.882  0.315  0.307  1.0
  O  O42  1  0.081  0.584  0.627  1.0
  O  O43  1  0.430  0.662  0.873  1.0
  O  O44  1  0.684  0.732  0.626  1.0
  O  O45  1  0.684  0.732  0.374  1.0
  O  O46  1  0.055  0.776  0.500  1.0
  O  O47  1  0.384  0.433  0.193  1.0
[/CIF]
.