The crystal structure described by LiMnCPO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. 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. 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. 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 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped 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   6.237
_cell_length_b   9.413
_cell_length_c   10.176
_cell_angle_alpha   61.640
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.662
_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  0.033  0.262  0.744  1.0
  Li  Li1  1  0.467  0.262  0.244  1.0
  Li  Li2  1  0.533  0.738  0.756  1.0
  Li  Li3  1  0.967  0.738  0.256  1.0
  Mn  Mn4  1  0.746  0.327  0.938  1.0
  Mn  Mn5  1  0.754  0.327  0.438  1.0
  Mn  Mn6  1  0.246  0.673  0.562  1.0
  Mn  Mn7  1  0.254  0.673  0.062  1.0
  P  P8  1  0.254  0.425  0.926  1.0
  P  P9  1  0.246  0.425  0.426  1.0
  P  P10  1  0.754  0.575  0.574  1.0
  P  P11  1  0.746  0.575  0.074  1.0
  C  C12  1  0.746  0.047  0.622  1.0
  C  C13  1  0.754  0.047  0.122  1.0
  C  C14  1  0.246  0.953  0.878  1.0
  C  C15  1  0.254  0.953  0.378  1.0
  O  O16  1  0.761  0.102  0.976  1.0
  O  O17  1  0.739  0.102  0.476  1.0
  O  O18  1  0.237  0.096  0.782  1.0
  O  O19  1  0.764  0.170  0.651  1.0
  O  O20  1  0.263  0.096  0.282  1.0
  O  O21  1  0.736  0.170  0.151  1.0
  O  O22  1  0.057  0.324  0.931  1.0
  O  O23  1  0.443  0.312  0.942  1.0
  O  O24  1  0.057  0.312  0.442  1.0
  O  O25  1  0.443  0.324  0.431  1.0
  O  O26  1  0.767  0.414  0.721  1.0
  O  O27  1  0.238  0.465  0.558  1.0
  O  O28  1  0.733  0.414  0.221  1.0
  O  O29  1  0.262  0.465  0.058  1.0
  O  O30  1  0.738  0.535  0.942  1.0
  O  O31  1  0.267  0.586  0.779  1.0
  O  O32  1  0.762  0.535  0.442  1.0
  O  O33  1  0.233  0.586  0.279  1.0
  O  O34  1  0.943  0.688  0.558  1.0
  O  O35  1  0.557  0.676  0.569  1.0
  O  O36  1  0.557  0.688  0.058  1.0
  O  O37  1  0.943  0.676  0.069  1.0
  O  O38  1  0.264  0.830  0.849  1.0
  O  O39  1  0.737  0.904  0.718  1.0
  O  O40  1  0.236  0.830  0.349  1.0
  O  O41  1  0.763  0.904  0.218  1.0
  O  O42  1  0.261  0.898  0.524  1.0
  O  O43  1  0.239  0.898  0.024  1.0
[/CIF]
.
The crystal structure described by LiMnCPO7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. 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. 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. 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 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped 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   6.237
_cell_length_b   9.413
_cell_length_c   10.176
_cell_angle_alpha   61.640
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   525.662
_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  0.033  0.262  0.744  1.0
  Li  Li1  1  0.467  0.262  0.244  1.0
  Li  Li2  1  0.533  0.738  0.756  1.0
  Li  Li3  1  0.967  0.738  0.256  1.0
  Mn  Mn4  1  0.746  0.327  0.938  1.0
  Mn  Mn5  1  0.754  0.327  0.438  1.0
  Mn  Mn6  1  0.246  0.673  0.562  1.0
  Mn  Mn7  1  0.254  0.673  0.062  1.0
  P  P8  1  0.254  0.425  0.926  1.0
  P  P9  1  0.246  0.425  0.426  1.0
  P  P10  1  0.754  0.575  0.574  1.0
  P  P11  1  0.746  0.575  0.074  1.0
  C  C12  1  0.746  0.047  0.622  1.0
  C  C13  1  0.754  0.047  0.122  1.0
  C  C14  1  0.246  0.953  0.878  1.0
  C  C15  1  0.254  0.953  0.378  1.0
  O  O16  1  0.761  0.102  0.976  1.0
  O  O17  1  0.739  0.102  0.476  1.0
  O  O18  1  0.237  0.096  0.782  1.0
  O  O19  1  0.764  0.170  0.651  1.0
  O  O20  1  0.263  0.096  0.282  1.0
  O  O21  1  0.736  0.170  0.151  1.0
  O  O22  1  0.057  0.324  0.931  1.0
  O  O23  1  0.443  0.312  0.942  1.0
  O  O24  1  0.057  0.312  0.442  1.0
  O  O25  1  0.443  0.324  0.431  1.0
  O  O26  1  0.767  0.414  0.721  1.0
  O  O27  1  0.238  0.465  0.558  1.0
  O  O28  1  0.733  0.414  0.221  1.0
  O  O29  1  0.262  0.465  0.058  1.0
  O  O30  1  0.738  0.535  0.942  1.0
  O  O31  1  0.267  0.586  0.779  1.0
  O  O32  1  0.762  0.535  0.442  1.0
  O  O33  1  0.233  0.586  0.279  1.0
  O  O34  1  0.943  0.688  0.558  1.0
  O  O35  1  0.557  0.676  0.569  1.0
  O  O36  1  0.557  0.688  0.058  1.0
  O  O37  1  0.943  0.676  0.069  1.0
  O  O38  1  0.264  0.830  0.849  1.0
  O  O39  1  0.737  0.904  0.718  1.0
  O  O40  1  0.236  0.830  0.349  1.0
  O  O41  1  0.763  0.904  0.218  1.0
  O  O42  1  0.261  0.898  0.524  1.0
  O  O43  1  0.239  0.898  0.024  1.0
[/CIF]
.