The material described by KLi4CrO5 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(5) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with four equivalent Cr(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid, corners with four equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, edges with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent Cr(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Cr(1) atom to form distorted edge-sharing OLi5Cr octahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Li(2), one Li(4), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Li(2), one Li(3), one Li(4), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(4), and one Cr(1) atom. is represented by the CIF card [CIF]
data_KLi4CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.874
_cell_length_c   8.307
_cell_angle_alpha   91.429
_cell_angle_beta   98.289
_cell_angle_gamma   118.346
_symmetry_Int_Tables_number   1
_cell_volume   236.951
_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
  Cr  Cr0  1  0.868  0.098  0.780  1.0
  Cr  Cr1  1  0.132  0.902  0.220  1.0
  K  K2  1  0.390  0.246  0.587  1.0
  K  K3  1  0.610  0.754  0.413  1.0
  Li  Li4  1  0.440  0.642  0.915  1.0
  Li  Li5  1  0.560  0.358  0.085  1.0
  Li  Li6  1  0.333  0.004  0.875  1.0
  Li  Li7  1  0.667  0.996  0.125  1.0
  Li  Li8  1  0.901  0.617  0.913  1.0
  Li  Li9  1  0.099  0.383  0.087  1.0
  Li  Li10  1  0.122  0.676  0.625  1.0
  Li  Li11  1  0.878  0.324  0.375  1.0
  O  O12  1  0.224  0.270  0.912  1.0
  O  O13  1  0.776  0.730  0.088  1.0
  O  O14  1  0.749  0.233  0.940  1.0
  O  O15  1  0.251  0.767  0.060  1.0
  O  O16  1  0.496  0.841  0.728  1.0
  O  O17  1  0.504  0.159  0.272  1.0
  O  O18  1  0.952  0.838  0.730  1.0
  O  O19  1  0.048  0.162  0.270  1.0
  O  O20  1  0.912  0.283  0.619  1.0
  O  O21  1  0.088  0.717  0.381  1.0
[/CIF]
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The material described by KLi4CrO5 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(5) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with four equivalent Cr(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Cr(1)O5 trigonal bipyramid, corners with four equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, edges with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Cr(1)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with four equivalent Cr(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CrO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O4 trigonal pyramids, edges with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Cr(1) atom to form distorted edge-sharing OLi5Cr octahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Li(2), one Li(4), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Li(2), one Li(3), one Li(4), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(4), and one Cr(1) atom. is represented by the CIF card [CIF]
data_KLi4CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.608
_cell_length_b   5.874
_cell_length_c   8.307
_cell_angle_alpha   91.429
_cell_angle_beta   98.289
_cell_angle_gamma   118.346
_symmetry_Int_Tables_number   1
_cell_volume   236.951
_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
  Cr  Cr0  1  0.868  0.098  0.780  1.0
  Cr  Cr1  1  0.132  0.902  0.220  1.0
  K  K2  1  0.390  0.246  0.587  1.0
  K  K3  1  0.610  0.754  0.413  1.0
  Li  Li4  1  0.440  0.642  0.915  1.0
  Li  Li5  1  0.560  0.358  0.085  1.0
  Li  Li6  1  0.333  0.004  0.875  1.0
  Li  Li7  1  0.667  0.996  0.125  1.0
  Li  Li8  1  0.901  0.617  0.913  1.0
  Li  Li9  1  0.099  0.383  0.087  1.0
  Li  Li10  1  0.122  0.676  0.625  1.0
  Li  Li11  1  0.878  0.324  0.375  1.0
  O  O12  1  0.224  0.270  0.912  1.0
  O  O13  1  0.776  0.730  0.088  1.0
  O  O14  1  0.749  0.233  0.940  1.0
  O  O15  1  0.251  0.767  0.060  1.0
  O  O16  1  0.496  0.841  0.728  1.0
  O  O17  1  0.504  0.159  0.272  1.0
  O  O18  1  0.952  0.838  0.730  1.0
  O  O19  1  0.048  0.162  0.270  1.0
  O  O20  1  0.912  0.283  0.619  1.0
  O  O21  1  0.088  0.717  0.381  1.0
[/CIF]
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