The structure described by K2LiMnCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted KO7 pentagonal bipyramids that share corners with two equivalent K(1)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one K(1)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  a faceface with one K(1)O7 pentagonal bipyramid. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Mn(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent K(1)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent K(1)O7 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent K(1)O7 pentagonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent K(1)O7 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   7.111
_cell_length_c   9.984
_cell_angle_alpha   89.981
_cell_angle_beta   88.225
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   379.517
_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
  C  C0  1  0.246  0.750  0.068  1.0
  C  C1  1  0.754  0.250  0.932  1.0
  K  K2  1  0.749  0.483  0.263  1.0
  K  K3  1  0.749  0.018  0.263  1.0
  K  K4  1  0.251  0.517  0.737  1.0
  K  K5  1  0.251  0.982  0.737  1.0
  Li  Li6  1  0.692  0.750  0.005  1.0
  Li  Li7  1  0.308  0.250  0.995  1.0
  Mn  Mn8  1  0.232  0.750  0.374  1.0
  Mn  Mn9  1  0.768  0.250  0.625  1.0
  O  O10  1  0.654  0.250  0.052  1.0
  O  O11  1  0.346  0.750  0.948  1.0
  O  O12  1  0.007  0.750  0.091  1.0
  O  O13  1  0.993  0.250  0.909  1.0
  O  O14  1  0.402  0.750  0.168  1.0
  O  O15  1  0.598  0.250  0.832  1.0
  O  O16  1  0.861  0.750  0.439  1.0
  O  O17  1  0.139  0.250  0.561  1.0
  O  O18  1  0.569  0.250  0.453  1.0
  O  O19  1  0.431  0.750  0.547  1.0
  O  O20  1  0.225  0.070  0.341  1.0
  O  O21  1  0.225  0.430  0.340  1.0
  O  O22  1  0.775  0.570  0.660  1.0
  O  O23  1  0.775  0.930  0.659  1.0
  P  P24  1  0.283  0.250  0.423  1.0
  P  P25  1  0.717  0.750  0.577  1.0
[/CIF]
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The structure described by K2LiMnCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted KO7 pentagonal bipyramids that share corners with two equivalent K(1)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one K(1)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  a faceface with one K(1)O7 pentagonal bipyramid. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. Mn(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share corners with two equivalent K(1)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent K(1)O7 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent K(1)O7 pentagonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent K(1)O7 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.348
_cell_length_b   7.111
_cell_length_c   9.984
_cell_angle_alpha   89.981
_cell_angle_beta   88.225
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   379.517
_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
  C  C0  1  0.246  0.750  0.068  1.0
  C  C1  1  0.754  0.250  0.932  1.0
  K  K2  1  0.749  0.483  0.263  1.0
  K  K3  1  0.749  0.018  0.263  1.0
  K  K4  1  0.251  0.517  0.737  1.0
  K  K5  1  0.251  0.982  0.737  1.0
  Li  Li6  1  0.692  0.750  0.005  1.0
  Li  Li7  1  0.308  0.250  0.995  1.0
  Mn  Mn8  1  0.232  0.750  0.374  1.0
  Mn  Mn9  1  0.768  0.250  0.625  1.0
  O  O10  1  0.654  0.250  0.052  1.0
  O  O11  1  0.346  0.750  0.948  1.0
  O  O12  1  0.007  0.750  0.091  1.0
  O  O13  1  0.993  0.250  0.909  1.0
  O  O14  1  0.402  0.750  0.168  1.0
  O  O15  1  0.598  0.250  0.832  1.0
  O  O16  1  0.861  0.750  0.439  1.0
  O  O17  1  0.139  0.250  0.561  1.0
  O  O18  1  0.569  0.250  0.453  1.0
  O  O19  1  0.431  0.750  0.547  1.0
  O  O20  1  0.225  0.070  0.341  1.0
  O  O21  1  0.225  0.430  0.340  1.0
  O  O22  1  0.775  0.570  0.660  1.0
  O  O23  1  0.775  0.930  0.659  1.0
  P  P24  1  0.283  0.250  0.423  1.0
  P  P25  1  0.717  0.750  0.577  1.0
[/CIF]
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