The compound described by LiMnCPO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-75°. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   9.486
_cell_length_c   10.204
_cell_angle_alpha   61.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.861
_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
  Li  Li0  1  0.468  0.261  0.495  1.0
  Li  Li1  1  0.032  0.261  0.995  1.0
  Li  Li2  1  0.532  0.739  0.505  1.0
  Li  Li3  1  0.968  0.739  0.005  1.0
  Mn  Mn4  1  0.749  0.329  0.688  1.0
  Mn  Mn5  1  0.751  0.329  0.188  1.0
  Mn  Mn6  1  0.251  0.671  0.312  1.0
  Mn  Mn7  1  0.249  0.671  0.812  1.0
  P  P8  1  0.250  0.425  0.676  1.0
  P  P9  1  0.250  0.425  0.176  1.0
  P  P10  1  0.750  0.575  0.324  1.0
  P  P11  1  0.750  0.575  0.824  1.0
  C  C12  1  0.742  0.048  0.372  1.0
  C  C13  1  0.758  0.048  0.872  1.0
  C  C14  1  0.258  0.952  0.628  1.0
  C  C15  1  0.242  0.952  0.128  1.0
  O  O16  1  0.744  0.102  0.726  1.0
  O  O17  1  0.756  0.102  0.226  1.0
  O  O18  1  0.267  0.094  0.533  1.0
  O  O19  1  0.735  0.170  0.401  1.0
  O  O20  1  0.233  0.094  0.033  1.0
  O  O21  1  0.765  0.170  0.901  1.0
  O  O22  1  0.054  0.324  0.681  1.0
  O  O23  1  0.441  0.312  0.689  1.0
  O  O24  1  0.059  0.312  0.189  1.0
  O  O25  1  0.446  0.324  0.181  1.0
  O  O26  1  0.728  0.415  0.469  1.0
  O  O27  1  0.260  0.463  0.309  1.0
  O  O28  1  0.772  0.415  0.969  1.0
  O  O29  1  0.240  0.463  0.809  1.0
  O  O30  1  0.740  0.537  0.691  1.0
  O  O31  1  0.272  0.585  0.531  1.0
  O  O32  1  0.760  0.537  0.191  1.0
  O  O33  1  0.228  0.585  0.031  1.0
  O  O34  1  0.946  0.676  0.319  1.0
  O  O35  1  0.559  0.688  0.311  1.0
  O  O36  1  0.554  0.676  0.819  1.0
  O  O37  1  0.941  0.688  0.811  1.0
  O  O38  1  0.265  0.830  0.599  1.0
  O  O39  1  0.733  0.906  0.467  1.0
  O  O40  1  0.235  0.830  0.099  1.0
  O  O41  1  0.767  0.906  0.967  1.0
  O  O42  1  0.256  0.898  0.274  1.0
  O  O43  1  0.244  0.898  0.774  1.0
[/CIF]
.
The compound described by LiMnCPO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-75°. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.244
_cell_length_b   9.486
_cell_length_c   10.204
_cell_angle_alpha   61.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.861
_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
  Li  Li0  1  0.468  0.261  0.495  1.0
  Li  Li1  1  0.032  0.261  0.995  1.0
  Li  Li2  1  0.532  0.739  0.505  1.0
  Li  Li3  1  0.968  0.739  0.005  1.0
  Mn  Mn4  1  0.749  0.329  0.688  1.0
  Mn  Mn5  1  0.751  0.329  0.188  1.0
  Mn  Mn6  1  0.251  0.671  0.312  1.0
  Mn  Mn7  1  0.249  0.671  0.812  1.0
  P  P8  1  0.250  0.425  0.676  1.0
  P  P9  1  0.250  0.425  0.176  1.0
  P  P10  1  0.750  0.575  0.324  1.0
  P  P11  1  0.750  0.575  0.824  1.0
  C  C12  1  0.742  0.048  0.372  1.0
  C  C13  1  0.758  0.048  0.872  1.0
  C  C14  1  0.258  0.952  0.628  1.0
  C  C15  1  0.242  0.952  0.128  1.0
  O  O16  1  0.744  0.102  0.726  1.0
  O  O17  1  0.756  0.102  0.226  1.0
  O  O18  1  0.267  0.094  0.533  1.0
  O  O19  1  0.735  0.170  0.401  1.0
  O  O20  1  0.233  0.094  0.033  1.0
  O  O21  1  0.765  0.170  0.901  1.0
  O  O22  1  0.054  0.324  0.681  1.0
  O  O23  1  0.441  0.312  0.689  1.0
  O  O24  1  0.059  0.312  0.189  1.0
  O  O25  1  0.446  0.324  0.181  1.0
  O  O26  1  0.728  0.415  0.469  1.0
  O  O27  1  0.260  0.463  0.309  1.0
  O  O28  1  0.772  0.415  0.969  1.0
  O  O29  1  0.240  0.463  0.809  1.0
  O  O30  1  0.740  0.537  0.691  1.0
  O  O31  1  0.272  0.585  0.531  1.0
  O  O32  1  0.760  0.537  0.191  1.0
  O  O33  1  0.228  0.585  0.031  1.0
  O  O34  1  0.946  0.676  0.319  1.0
  O  O35  1  0.559  0.688  0.311  1.0
  O  O36  1  0.554  0.676  0.819  1.0
  O  O37  1  0.941  0.688  0.811  1.0
  O  O38  1  0.265  0.830  0.599  1.0
  O  O39  1  0.733  0.906  0.467  1.0
  O  O40  1  0.235  0.830  0.099  1.0
  O  O41  1  0.767  0.906  0.967  1.0
  O  O42  1  0.256  0.898  0.274  1.0
  O  O43  1  0.244  0.898  0.774  1.0
[/CIF]
.