The material described by Li12MnCo3P4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(5), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-87°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), 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 Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-86°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(18), one O(19), and one O(20) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-87°. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-90°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. Mn(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form distorted CoO6 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, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CoO6 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third Co site, Co(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. 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(20), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(22) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-62°. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-63°. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Co(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, and  an edgeedge with one O(12)Li2MnP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid,  an edgeedge with one O(11)Li2CoP trigonal pyramid, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Co(2), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(8)Li2CoP trigonal pyramid,  an edgeedge with one O(8)Li2CoP trigonal pyramid, and  an edgeedge with one O(9)Li2CoP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Co(2), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra, corners with two equivalent O(10)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2CoP trigonal pyramids, and edges with two equivalent O(8)Li2CoP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Co(3), and one P(1) atom to form OLi2CoP tetrahedra that share  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(9)Li2CoP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Co(1), and one P(4) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2MnP trigonal pyramids, and edges with two equivalent O(7)Li2CoP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid, corners with two equivalent O(11)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one Co(1), and one P(3) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(13)Li2CoP tetrahedra, corners with two equivalent O(20)Li3C tetrahedra, corners with two equivalent O(7)Li2CoP trigonal pyramids, and edges with two equivalent O(18)Li2MnP trigonal pyramids. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one Co(2), and one P(4) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid, corners with two equivalent O(16)Li2CoP trigonal pyramids, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one Co(3), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(15)Li2CoP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2CoP trigonal pyramids, and edges with two equivalent O(17)Li2CoP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one Co(3), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid,  an edgeedge with one O(16)Li2CoP trigonal pyramid, and  an edgeedge with one O(17)Li2CoP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Mn(1), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(18)Li2MnP trigonal pyramid,  an edgeedge with one O(14)Li2MnP trigonal pyramid, and  an edgeedge with one O(18)Li2MnP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Co(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(13)Li2CoP tetrahedra. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(6), one Mn(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(16)Li2CoP trigonal pyramids, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(15)Li2CoP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one C(4) atom. is represented by the CIF card [CIF]
data_Li12MnCo3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   10.030
_cell_length_c   6.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   85.115
_symmetry_Int_Tables_number   1
_cell_volume   548.989
_cell_formula_units_Z   1
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  0.099  0.383  0.250  1.0
  Li  Li1  1  0.094  0.882  0.250  1.0
  Li  Li2  1  0.278  0.126  0.023  1.0
  Li  Li3  1  0.278  0.126  0.477  1.0
  Li  Li4  1  0.275  0.624  0.022  1.0
  Li  Li5  1  0.275  0.624  0.478  1.0
  Li  Li6  1  0.722  0.374  0.523  1.0
  Li  Li7  1  0.722  0.374  0.977  1.0
  Li  Li8  1  0.724  0.878  0.523  1.0
  Li  Li9  1  0.724  0.878  0.977  1.0
  Li  Li10  1  0.902  0.117  0.750  1.0
  Li  Li11  1  0.901  0.616  0.750  1.0
  Mn  Mn12  1  0.661  0.611  0.250  1.0
  Co  Co13  1  0.332  0.395  0.750  1.0
  Co  Co14  1  0.331  0.896  0.750  1.0
  Co  Co15  1  0.668  0.105  0.250  1.0
  P  P16  1  0.414  0.359  0.250  1.0
  P  P17  1  0.410  0.864  0.250  1.0
  P  P18  1  0.587  0.139  0.750  1.0
  P  P19  1  0.587  0.638  0.750  1.0
  C  C20  1  0.038  0.351  0.750  1.0
  C  C21  1  0.037  0.851  0.750  1.0
  C  C22  1  0.962  0.150  0.250  1.0
  C  C23  1  0.968  0.649  0.250  1.0
  O  O24  1  0.072  0.474  0.750  1.0
  O  O25  1  0.108  0.181  0.250  1.0
  O  O26  1  0.072  0.974  0.750  1.0
  O  O27  1  0.155  0.257  0.750  1.0
  O  O28  1  0.115  0.680  0.250  1.0
  O  O29  1  0.155  0.757  0.750  1.0
  O  O30  1  0.310  0.411  0.063  1.0
  O  O31  1  0.310  0.411  0.437  1.0
  O  O32  1  0.308  0.916  0.063  1.0
  O  O33  1  0.308  0.916  0.437  1.0
  O  O34  1  0.420  0.086  0.750  1.0
  O  O35  1  0.433  0.202  0.250  1.0
  O  O36  1  0.420  0.585  0.750  1.0
  O  O37  1  0.426  0.708  0.250  1.0
  O  O38  1  0.567  0.295  0.750  1.0
  O  O39  1  0.580  0.410  0.250  1.0
  O  O40  1  0.566  0.794  0.750  1.0
  O  O41  1  0.580  0.911  0.250  1.0
  O  O42  1  0.691  0.087  0.937  1.0
  O  O43  1  0.691  0.087  0.563  1.0
  O  O44  1  0.691  0.585  0.566  1.0
  O  O45  1  0.691  0.585  0.934  1.0
  O  O46  1  0.845  0.244  0.250  1.0
  O  O47  1  0.892  0.319  0.750  1.0
  O  O48  1  0.854  0.746  0.250  1.0
  O  O49  1  0.926  0.027  0.250  1.0
  O  O50  1  0.892  0.819  0.750  1.0
  O  O51  1  0.933  0.526  0.250  1.0
[/CIF]
.
The material described by Li12MnCo3P4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(5), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-87°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), 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 Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-86°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(18), one O(19), and one O(20) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-87°. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Co(3)O6 octahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-90°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. Mn(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form distorted CoO6 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, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CoO6 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third Co site, Co(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. 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(20), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(22) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-62°. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-63°. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Co(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, and  an edgeedge with one O(12)Li2MnP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid,  an edgeedge with one O(11)Li2CoP trigonal pyramid, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Co(2), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(8)Li2CoP trigonal pyramid,  an edgeedge with one O(8)Li2CoP trigonal pyramid, and  an edgeedge with one O(9)Li2CoP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Co(2), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra, corners with two equivalent O(10)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2CoP trigonal pyramids, and edges with two equivalent O(8)Li2CoP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Co(3), and one P(1) atom to form OLi2CoP tetrahedra that share  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(9)Li2CoP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Co(1), and one P(4) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2MnP trigonal pyramids, and edges with two equivalent O(7)Li2CoP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2MnP trigonal pyramid, corners with two equivalent O(11)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one Co(1), and one P(3) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(13)Li2CoP tetrahedra, corners with two equivalent O(20)Li3C tetrahedra, corners with two equivalent O(7)Li2CoP trigonal pyramids, and edges with two equivalent O(18)Li2MnP trigonal pyramids. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one Co(2), and one P(4) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid, corners with two equivalent O(16)Li2CoP trigonal pyramids, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(8)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one Co(3), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(15)Li2CoP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2CoP trigonal pyramids, and edges with two equivalent O(17)Li2CoP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one Co(3), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(10)Li2CoP tetrahedra,  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2CoP trigonal pyramid,  a cornercorner with one O(9)Li2CoP trigonal pyramid,  an edgeedge with one O(16)Li2CoP trigonal pyramid, and  an edgeedge with one O(17)Li2CoP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Mn(1), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2CoP tetrahedra,  a cornercorner with one O(15)Li2CoP tetrahedra,  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(11)Li2CoP trigonal pyramid,  a cornercorner with one O(18)Li2MnP trigonal pyramid,  an edgeedge with one O(14)Li2MnP trigonal pyramid, and  an edgeedge with one O(18)Li2MnP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Co(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(13)Li2CoP tetrahedra. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Li(6), one Mn(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(16)Li2CoP trigonal pyramids, corners with two equivalent O(17)Li2CoP trigonal pyramids, corners with two equivalent O(18)Li2MnP trigonal pyramids, and  an edgeedge with one O(15)Li2CoP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one C(4) atom. is represented by the CIF card [CIF]
data_Li12MnCo3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   10.030
_cell_length_c   6.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   85.115
_symmetry_Int_Tables_number   1
_cell_volume   548.989
_cell_formula_units_Z   1
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  0.099  0.383  0.250  1.0
  Li  Li1  1  0.094  0.882  0.250  1.0
  Li  Li2  1  0.278  0.126  0.023  1.0
  Li  Li3  1  0.278  0.126  0.477  1.0
  Li  Li4  1  0.275  0.624  0.022  1.0
  Li  Li5  1  0.275  0.624  0.478  1.0
  Li  Li6  1  0.722  0.374  0.523  1.0
  Li  Li7  1  0.722  0.374  0.977  1.0
  Li  Li8  1  0.724  0.878  0.523  1.0
  Li  Li9  1  0.724  0.878  0.977  1.0
  Li  Li10  1  0.902  0.117  0.750  1.0
  Li  Li11  1  0.901  0.616  0.750  1.0
  Mn  Mn12  1  0.661  0.611  0.250  1.0
  Co  Co13  1  0.332  0.395  0.750  1.0
  Co  Co14  1  0.331  0.896  0.750  1.0
  Co  Co15  1  0.668  0.105  0.250  1.0
  P  P16  1  0.414  0.359  0.250  1.0
  P  P17  1  0.410  0.864  0.250  1.0
  P  P18  1  0.587  0.139  0.750  1.0
  P  P19  1  0.587  0.638  0.750  1.0
  C  C20  1  0.038  0.351  0.750  1.0
  C  C21  1  0.037  0.851  0.750  1.0
  C  C22  1  0.962  0.150  0.250  1.0
  C  C23  1  0.968  0.649  0.250  1.0
  O  O24  1  0.072  0.474  0.750  1.0
  O  O25  1  0.108  0.181  0.250  1.0
  O  O26  1  0.072  0.974  0.750  1.0
  O  O27  1  0.155  0.257  0.750  1.0
  O  O28  1  0.115  0.680  0.250  1.0
  O  O29  1  0.155  0.757  0.750  1.0
  O  O30  1  0.310  0.411  0.063  1.0
  O  O31  1  0.310  0.411  0.437  1.0
  O  O32  1  0.308  0.916  0.063  1.0
  O  O33  1  0.308  0.916  0.437  1.0
  O  O34  1  0.420  0.086  0.750  1.0
  O  O35  1  0.433  0.202  0.250  1.0
  O  O36  1  0.420  0.585  0.750  1.0
  O  O37  1  0.426  0.708  0.250  1.0
  O  O38  1  0.567  0.295  0.750  1.0
  O  O39  1  0.580  0.410  0.250  1.0
  O  O40  1  0.566  0.794  0.750  1.0
  O  O41  1  0.580  0.911  0.250  1.0
  O  O42  1  0.691  0.087  0.937  1.0
  O  O43  1  0.691  0.087  0.563  1.0
  O  O44  1  0.691  0.585  0.566  1.0
  O  O45  1  0.691  0.585  0.934  1.0
  O  O46  1  0.845  0.244  0.250  1.0
  O  O47  1  0.892  0.319  0.750  1.0
  O  O48  1  0.854  0.746  0.250  1.0
  O  O49  1  0.926  0.027  0.250  1.0
  O  O50  1  0.892  0.819  0.750  1.0
  O  O51  1  0.933  0.526  0.250  1.0
[/CIF]
.