The compound 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(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-79°. In the second Li site, Li(2) 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  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-78°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(20), and one O(21) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-82°. In the seventh Li site, Li(7) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-78°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(25), and one O(27) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)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 second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)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(1), one O(27), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(16) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-57°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)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 41-58°. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-55°. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, and corners with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(7)Li2MnP tetrahedra, corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(3)Li2MnC trigonal pyramid, and  an edgeedge with one O(3)Li2MnC trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(2), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(12)Li2MnC trigonal pyramid, corners with two equivalent O(3)Li2MnC trigonal pyramids, corners with two equivalent O(6)Li2MnP trigonal pyramids, and corners with two equivalent O(9)Li2MnP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Mn(1), and one P(2) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(3)Li2MnC trigonal pyramid, corners with two equivalent O(12)Li2MnC trigonal pyramids, corners with two equivalent O(6)Li2MnP trigonal pyramids, and corners with two equivalent O(9)Li2MnP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(7)Li2MnP tetrahedra, corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(12)Li2MnC trigonal pyramid, and  an edgeedge with one O(12)Li2MnC trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(2), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one C(3) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Mn(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(6), and one C(2) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Mn(3), and one C(3) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(5), one Li(6), one Mn(3), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(21)Li2MnP tetrahedra,  a cornercorner with one O(17)Li2MnC trigonal pyramid,  a cornercorner with one O(25)Li2MnP trigonal pyramid, and  an edgeedge with one O(17)Li2MnC trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(5), one Li(6), one Mn(4), and one P(3) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(25)Li2MnP trigonal pyramid, corners with two equivalent O(17)Li2MnC trigonal pyramids, and corners with two equivalent O(20)Li2MnP trigonal pyramids. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(7), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Li(8), one Mn(4), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded to one Li(7), one Li(8), one Mn(4), and one P(4) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(7), one Mn(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(7), one Li(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in an L-shaped geometry to one Mn(4) and one C(4) atom. is represented by the CIF card [CIF]
data_Li2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   6.546
_cell_length_c   16.739
_cell_angle_alpha   90.537
_cell_angle_beta   93.981
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   549.130
_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  0.744  0.967  0.131  1.0
  Li  Li1  1  0.746  0.528  0.131  1.0
  Li  Li2  1  0.248  0.472  0.373  1.0
  Li  Li3  1  0.247  0.029  0.372  1.0
  Li  Li4  1  0.759  0.972  0.631  1.0
  Li  Li5  1  0.754  0.528  0.629  1.0
  Li  Li6  1  0.246  0.471  0.864  1.0
  Li  Li7  1  0.771  0.237  0.944  1.0
  Mn  Mn8  1  0.193  0.247  0.169  1.0
  Mn  Mn9  1  0.803  0.750  0.334  1.0
  Mn  Mn10  1  0.212  0.254  0.668  1.0
  Mn  Mn11  1  0.803  0.755  0.836  1.0
  P  P12  1  0.267  0.749  0.208  1.0
  P  P13  1  0.730  0.249  0.294  1.0
  P  P14  1  0.268  0.747  0.709  1.0
  P  P15  1  0.715  0.254  0.789  1.0
  C  C16  1  0.288  0.262  0.020  1.0
  C  C17  1  0.726  0.751  0.477  1.0
  C  C18  1  0.294  0.248  0.526  1.0
  C  C19  1  0.722  0.742  0.979  1.0
  O  O20  1  0.039  0.253  0.034  1.0
  O  O21  1  0.664  0.743  0.051  1.0
  O  O22  1  0.459  0.248  0.086  1.0
  O  O23  1  0.158  0.938  0.162  1.0
  O  O24  1  0.158  0.557  0.162  1.0
  O  O25  1  0.824  0.248  0.206  1.0
  O  O26  1  0.578  0.750  0.218  1.0
  O  O27  1  0.419  0.250  0.286  1.0
  O  O28  1  0.167  0.751  0.295  1.0
  O  O29  1  0.842  0.061  0.339  1.0
  O  O30  1  0.844  0.439  0.339  1.0
  O  O31  1  0.538  0.749  0.415  1.0
  O  O32  1  0.324  0.250  0.452  1.0
  O  O33  1  0.965  0.752  0.454  1.0
  O  O34  1  0.059  0.242  0.556  1.0
  O  O35  1  0.661  0.751  0.548  1.0
  O  O36  1  0.492  0.251  0.581  1.0
  O  O37  1  0.167  0.940  0.665  1.0
  O  O38  1  0.165  0.565  0.656  1.0
  O  O39  1  0.833  0.249  0.707  1.0
  O  O40  1  0.580  0.745  0.721  1.0
  O  O41  1  0.406  0.284  0.772  1.0
  O  O42  1  0.155  0.731  0.793  1.0
  O  O43  1  0.775  0.065  0.841  1.0
  O  O44  1  0.825  0.431  0.844  1.0
  O  O45  1  0.536  0.736  0.918  1.0
  O  O46  1  0.380  0.285  0.953  1.0
  O  O47  1  0.962  0.750  0.955  1.0
[/CIF]
.
The compound 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(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-79°. In the second Li site, Li(2) 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  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-78°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(20), and one O(21) atom. In the sixth Li site, Li(6) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-82°. In the seventh Li site, Li(7) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-78°. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(24), one O(25), and one O(27) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)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 second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(7)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(1), one O(27), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(16) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-57°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)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 41-58°. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(7)O5 trigonal bipyramid, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-55°. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, and corners with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-55°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(7)Li2MnP tetrahedra, corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(3)Li2MnC trigonal pyramid, and  an edgeedge with one O(3)Li2MnC trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(2), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(12)Li2MnC trigonal pyramid, corners with two equivalent O(3)Li2MnC trigonal pyramids, corners with two equivalent O(6)Li2MnP trigonal pyramids, and corners with two equivalent O(9)Li2MnP trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Mn(1), and one P(2) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(3)Li2MnC trigonal pyramid, corners with two equivalent O(12)Li2MnC trigonal pyramids, corners with two equivalent O(6)Li2MnP trigonal pyramids, and corners with two equivalent O(9)Li2MnP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(7)Li2MnP tetrahedra, corners with two equivalent O(8)Li2MnP tetrahedra,  a cornercorner with one O(12)Li2MnC trigonal pyramid, and  an edgeedge with one O(12)Li2MnC trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(2), and one C(2) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one C(3) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Mn(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(5), one Li(6), and one C(2) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Mn(3), and one C(3) atom to form a mixture of distorted corner and edge-sharing OLi2MnC trigonal pyramids. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(5), one Li(6), one Mn(3), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(21)Li2MnP tetrahedra,  a cornercorner with one O(17)Li2MnC trigonal pyramid,  a cornercorner with one O(25)Li2MnP trigonal pyramid, and  an edgeedge with one O(17)Li2MnC trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(5), one Li(6), one Mn(4), and one P(3) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(25)Li2MnP trigonal pyramid, corners with two equivalent O(17)Li2MnC trigonal pyramids, and corners with two equivalent O(20)Li2MnP trigonal pyramids. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Li(7), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Li(8), one Mn(4), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded to one Li(7), one Li(8), one Mn(4), and one P(4) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(7), one Mn(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(7), one Li(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in an L-shaped geometry to one Mn(4) and one C(4) atom. is represented by the CIF card [CIF]
data_Li2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   6.546
_cell_length_c   16.739
_cell_angle_alpha   90.537
_cell_angle_beta   93.981
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   549.130
_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  0.744  0.967  0.131  1.0
  Li  Li1  1  0.746  0.528  0.131  1.0
  Li  Li2  1  0.248  0.472  0.373  1.0
  Li  Li3  1  0.247  0.029  0.372  1.0
  Li  Li4  1  0.759  0.972  0.631  1.0
  Li  Li5  1  0.754  0.528  0.629  1.0
  Li  Li6  1  0.246  0.471  0.864  1.0
  Li  Li7  1  0.771  0.237  0.944  1.0
  Mn  Mn8  1  0.193  0.247  0.169  1.0
  Mn  Mn9  1  0.803  0.750  0.334  1.0
  Mn  Mn10  1  0.212  0.254  0.668  1.0
  Mn  Mn11  1  0.803  0.755  0.836  1.0
  P  P12  1  0.267  0.749  0.208  1.0
  P  P13  1  0.730  0.249  0.294  1.0
  P  P14  1  0.268  0.747  0.709  1.0
  P  P15  1  0.715  0.254  0.789  1.0
  C  C16  1  0.288  0.262  0.020  1.0
  C  C17  1  0.726  0.751  0.477  1.0
  C  C18  1  0.294  0.248  0.526  1.0
  C  C19  1  0.722  0.742  0.979  1.0
  O  O20  1  0.039  0.253  0.034  1.0
  O  O21  1  0.664  0.743  0.051  1.0
  O  O22  1  0.459  0.248  0.086  1.0
  O  O23  1  0.158  0.938  0.162  1.0
  O  O24  1  0.158  0.557  0.162  1.0
  O  O25  1  0.824  0.248  0.206  1.0
  O  O26  1  0.578  0.750  0.218  1.0
  O  O27  1  0.419  0.250  0.286  1.0
  O  O28  1  0.167  0.751  0.295  1.0
  O  O29  1  0.842  0.061  0.339  1.0
  O  O30  1  0.844  0.439  0.339  1.0
  O  O31  1  0.538  0.749  0.415  1.0
  O  O32  1  0.324  0.250  0.452  1.0
  O  O33  1  0.965  0.752  0.454  1.0
  O  O34  1  0.059  0.242  0.556  1.0
  O  O35  1  0.661  0.751  0.548  1.0
  O  O36  1  0.492  0.251  0.581  1.0
  O  O37  1  0.167  0.940  0.665  1.0
  O  O38  1  0.165  0.565  0.656  1.0
  O  O39  1  0.833  0.249  0.707  1.0
  O  O40  1  0.580  0.745  0.721  1.0
  O  O41  1  0.406  0.284  0.772  1.0
  O  O42  1  0.155  0.731  0.793  1.0
  O  O43  1  0.775  0.065  0.841  1.0
  O  O44  1  0.825  0.431  0.844  1.0
  O  O45  1  0.536  0.736  0.918  1.0
  O  O46  1  0.380  0.285  0.953  1.0
  O  O47  1  0.962  0.750  0.955  1.0
[/CIF]
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