The material structure described by Li2MnCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-79°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-75°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(23), one O(25), and one O(27) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(19), one O(24), one O(25), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(21), one O(24), and one O(26) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(26) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(16), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(15), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(14), one O(17), one O(20), one O(22), one O(23), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(18), one O(19), one O(21), one O(24), and one O(28) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(25), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(26), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(24), one O(28), and one O(4) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(23), one O(27), and one O(3) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(17), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-57°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(18), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-58°. In the third P site, P(3) is bonded to one O(11), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(8), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(3), one Li(4), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one C(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(2), and one C(2) atom to form distorted corner-sharing OLi2MnC tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Mn(1), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2MnP tetrahedra,  a cornercorner with one O(14)Li2MnP tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid, and  an edgeedge with one O(5)Li2MnC trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Mn(4), and one P(2) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid,  a cornercorner with one O(21)Li2MnP trigonal pyramid, and corners with two equivalent O(18)Li2MnP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Mn(3), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid, and  a cornercorner with one O(11)Li2MnP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(7), one Mn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(5), one Li(6), one Mn(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(1) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Li(7), one Mn(4), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(8), one Mn(4), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(8), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Mn(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Li(5), one Li(6), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Li(7), one Li(8), and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(6), one Mn(4), and one C(3) atom. is represented by the CIF file [CIF]
data_Li2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   8.428
_cell_length_c   13.063
_cell_angle_alpha   90.306
_cell_angle_beta   90.026
_cell_angle_gamma   94.193
_symmetry_Int_Tables_number   1
_cell_volume   552.205
_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  0.264  0.732  0.018  1.0
  Li  Li1  1  0.274  0.747  0.735  1.0
  Li  Li2  1  0.236  0.744  0.241  1.0
  Li  Li3  1  0.244  0.753  0.512  1.0
  Li  Li4  1  0.757  0.235  0.248  1.0
  Li  Li5  1  0.752  0.246  0.494  1.0
  Li  Li6  1  0.747  0.266  0.769  1.0
  Li  Li7  1  0.220  0.106  0.883  1.0
  Mn  Mn8  1  0.786  0.659  0.376  1.0
  Mn  Mn9  1  0.814  0.658  0.875  1.0
  Mn  Mn10  1  0.203  0.333  0.123  1.0
  Mn  Mn11  1  0.196  0.341  0.626  1.0
  P  P12  1  0.735  0.580  0.122  1.0
  P  P13  1  0.740  0.589  0.631  1.0
  P  P14  1  0.264  0.422  0.377  1.0
  P  P15  1  0.287  0.413  0.871  1.0
  C  C16  1  0.719  0.945  0.377  1.0
  C  C17  1  0.703  0.951  0.866  1.0
  C  C18  1  0.267  0.051  0.620  1.0
  C  C19  1  0.275  0.049  0.134  1.0
  O  O20  1  0.954  0.932  0.873  1.0
  O  O21  1  0.951  0.883  0.376  1.0
  O  O22  1  0.321  0.904  0.130  1.0
  O  O23  1  0.337  0.911  0.623  1.0
  O  O24  1  0.520  0.833  0.379  1.0
  O  O25  1  0.540  0.818  0.873  1.0
  O  O26  1  0.848  0.677  0.536  1.0
  O  O27  1  0.842  0.671  0.026  1.0
  O  O28  1  0.831  0.680  0.215  1.0
  O  O29  1  0.863  0.682  0.725  1.0
  O  O30  1  0.165  0.593  0.374  1.0
  O  O31  1  0.173  0.580  0.878  1.0
  O  O32  1  0.429  0.574  0.635  1.0
  O  O33  1  0.421  0.558  0.120  1.0
  O  O34  1  0.589  0.442  0.851  1.0
  O  O35  1  0.578  0.446  0.379  1.0
  O  O36  1  0.841  0.412  0.126  1.0
  O  O37  1  0.832  0.414  0.632  1.0
  O  O38  1  0.157  0.334  0.473  1.0
  O  O39  1  0.162  0.325  0.284  1.0
  O  O40  1  0.157  0.311  0.781  1.0
  O  O41  1  0.223  0.310  0.965  1.0
  O  O42  1  0.465  0.165  0.142  1.0
  O  O43  1  0.454  0.175  0.619  1.0
  O  O44  1  0.689  0.091  0.375  1.0
  O  O45  1  0.601  0.082  0.853  1.0
  O  O46  1  0.039  0.102  0.126  1.0
  O  O47  1  0.026  0.093  0.620  1.0
[/CIF]
.
The material structure described by Li2MnCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-79°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 64-75°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(23), one O(25), and one O(27) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(19), one O(24), one O(25), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(21), one O(24), and one O(26) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(26) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(16), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(15), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(14), one O(17), one O(20), one O(22), one O(23), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(18), one O(19), one O(21), one O(24), and one O(28) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(25), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(26), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(24), one O(28), and one O(4) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(23), one O(27), and one O(3) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(17), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-57°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(18), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-58°. In the third P site, P(3) is bonded to one O(11), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(8), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Li(3), one Li(4), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one C(3) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(2), and one C(2) atom to form distorted corner-sharing OLi2MnC tetrahedra. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Mn(1), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2MnP tetrahedra,  a cornercorner with one O(14)Li2MnP tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid, and  an edgeedge with one O(5)Li2MnC trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(4), one Mn(4), and one P(2) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid,  a cornercorner with one O(21)Li2MnP trigonal pyramid, and corners with two equivalent O(18)Li2MnP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(3), one Mn(3), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC tetrahedra,  a cornercorner with one O(5)Li2MnC trigonal pyramid, and  a cornercorner with one O(11)Li2MnP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(7), one Mn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(5), one Li(6), one Mn(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(1) atom. In the eighteenth O site, O(18) is bonded to one Li(6), one Li(7), one Mn(4), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(8), one Mn(4), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi2MnP trigonal pyramids. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(8), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Mn(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Li(5), one Li(6), and one C(1) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Li(7), one Li(8), and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(6), one Mn(4), and one C(3) atom. is represented by the CIF file [CIF]
data_Li2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   8.428
_cell_length_c   13.063
_cell_angle_alpha   90.306
_cell_angle_beta   90.026
_cell_angle_gamma   94.193
_symmetry_Int_Tables_number   1
_cell_volume   552.205
_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  0.264  0.732  0.018  1.0
  Li  Li1  1  0.274  0.747  0.735  1.0
  Li  Li2  1  0.236  0.744  0.241  1.0
  Li  Li3  1  0.244  0.753  0.512  1.0
  Li  Li4  1  0.757  0.235  0.248  1.0
  Li  Li5  1  0.752  0.246  0.494  1.0
  Li  Li6  1  0.747  0.266  0.769  1.0
  Li  Li7  1  0.220  0.106  0.883  1.0
  Mn  Mn8  1  0.786  0.659  0.376  1.0
  Mn  Mn9  1  0.814  0.658  0.875  1.0
  Mn  Mn10  1  0.203  0.333  0.123  1.0
  Mn  Mn11  1  0.196  0.341  0.626  1.0
  P  P12  1  0.735  0.580  0.122  1.0
  P  P13  1  0.740  0.589  0.631  1.0
  P  P14  1  0.264  0.422  0.377  1.0
  P  P15  1  0.287  0.413  0.871  1.0
  C  C16  1  0.719  0.945  0.377  1.0
  C  C17  1  0.703  0.951  0.866  1.0
  C  C18  1  0.267  0.051  0.620  1.0
  C  C19  1  0.275  0.049  0.134  1.0
  O  O20  1  0.954  0.932  0.873  1.0
  O  O21  1  0.951  0.883  0.376  1.0
  O  O22  1  0.321  0.904  0.130  1.0
  O  O23  1  0.337  0.911  0.623  1.0
  O  O24  1  0.520  0.833  0.379  1.0
  O  O25  1  0.540  0.818  0.873  1.0
  O  O26  1  0.848  0.677  0.536  1.0
  O  O27  1  0.842  0.671  0.026  1.0
  O  O28  1  0.831  0.680  0.215  1.0
  O  O29  1  0.863  0.682  0.725  1.0
  O  O30  1  0.165  0.593  0.374  1.0
  O  O31  1  0.173  0.580  0.878  1.0
  O  O32  1  0.429  0.574  0.635  1.0
  O  O33  1  0.421  0.558  0.120  1.0
  O  O34  1  0.589  0.442  0.851  1.0
  O  O35  1  0.578  0.446  0.379  1.0
  O  O36  1  0.841  0.412  0.126  1.0
  O  O37  1  0.832  0.414  0.632  1.0
  O  O38  1  0.157  0.334  0.473  1.0
  O  O39  1  0.162  0.325  0.284  1.0
  O  O40  1  0.157  0.311  0.781  1.0
  O  O41  1  0.223  0.310  0.965  1.0
  O  O42  1  0.465  0.165  0.142  1.0
  O  O43  1  0.454  0.175  0.619  1.0
  O  O44  1  0.689  0.091  0.375  1.0
  O  O45  1  0.601  0.082  0.853  1.0
  O  O46  1  0.039  0.102  0.126  1.0
  O  O47  1  0.026  0.093  0.620  1.0
[/CIF]
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