The compound described by Li5Mn2P2(CO7)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) 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 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(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 64-83°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(4), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. In the second P site, P(2) is bonded to one O(12), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(6)Li2MnC trigonal pyramid, corners with two equivalent O(4)Li2MnC trigonal pyramids, corners with two equivalent O(7)Li2MnP trigonal pyramids, corners with two equivalent O(9)Li2MnP trigonal pyramids, and  an edgeedge with one O(10)Li2MnP tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(2) and one C(2) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Mn(1), and one C(1) atom to form distorted OLi2MnC trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(10)Li2MnP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(11)Li2MnP trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids, and  an edgeedge with one O(9)Li2MnP trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Li(3) and one C(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Mn(2), and one C(2) atom to form distorted OLi2MnC trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(9)Li2MnP trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids, and  an edgeedge with one O(11)Li2MnP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnC trigonal pyramid,  a cornercorner with one O(6)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  an edgeedge with one O(11)Li2MnP trigonal pyramid, and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the ninth O site, O(9) is bonded to two equivalent Li(2), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(10)Li2MnP tetrahedra,  a cornercorner with one O(6)Li2MnC trigonal pyramid, and  an edgeedge with one O(4)Li2MnC trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Mn(2), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid, corners with two equivalent O(4)Li2MnC trigonal pyramids, corners with two equivalent O(7)Li2MnP trigonal pyramids, corners with three equivalent O(9)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnC trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids,  an edgeedge with one O(6)Li2MnC trigonal pyramid, and edges with two equivalent O(7)Li2MnP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(3), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(4)Li2MnC trigonal pyramid,  a cornercorner with one O(9)Li2MnP trigonal pyramid, corners with two equivalent O(6)Li2MnC trigonal pyramids, corners with three equivalent O(11)Li2MnP trigonal pyramids, and corners with four equivalent O(7)Li2MnP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.442
_cell_length_b   8.514
_cell_length_c   10.091
_cell_angle_alpha   86.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.185
_cell_formula_units_Z   2
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  0.750  0.903  0.617  1.0
  Li  Li1  1  0.980  0.752  0.881  1.0
  Li  Li2  1  0.520  0.752  0.881  1.0
  Li  Li3  1  0.979  0.738  0.364  1.0
  Li  Li4  1  0.521  0.738  0.364  1.0
  Li  Li5  1  0.479  0.262  0.636  1.0
  Li  Li6  1  0.021  0.262  0.636  1.0
  Li  Li7  1  0.480  0.248  0.119  1.0
  Li  Li8  1  0.020  0.248  0.119  1.0
  Li  Li9  1  0.250  0.097  0.383  1.0
  Mn  Mn10  1  0.250  0.661  0.607  1.0
  Mn  Mn11  1  0.250  0.659  0.101  1.0
  Mn  Mn12  1  0.750  0.341  0.899  1.0
  Mn  Mn13  1  0.750  0.339  0.393  1.0
  P  P14  1  0.750  0.586  0.639  1.0
  P  P15  1  0.750  0.582  0.137  1.0
  P  P16  1  0.250  0.418  0.863  1.0
  P  P17  1  0.250  0.414  0.361  1.0
  C  C18  1  0.250  0.964  0.639  1.0
  C  C19  1  0.250  0.954  0.146  1.0
  C  C20  1  0.750  0.046  0.854  1.0
  C  C21  1  0.750  0.036  0.361  1.0
  O  O22  1  0.250  0.924  0.517  1.0
  O  O23  1  0.750  0.904  0.815  1.0
  O  O24  1  0.250  0.920  0.026  1.0
  O  O25  1  0.250  0.848  0.733  1.0
  O  O26  1  0.750  0.893  0.332  1.0
  O  O27  1  0.250  0.835  0.240  1.0
  O  O28  1  0.936  0.688  0.586  1.0
  O  O29  1  0.564  0.688  0.586  1.0
  O  O30  1  0.940  0.674  0.079  1.0
  O  O31  1  0.560  0.674  0.079  1.0
  O  O32  1  0.250  0.591  0.905  1.0
  O  O33  1  0.750  0.570  0.793  1.0
  O  O34  1  0.250  0.581  0.414  1.0
  O  O35  1  0.750  0.573  0.292  1.0
  O  O36  1  0.250  0.427  0.708  1.0
  O  O37  1  0.750  0.419  0.586  1.0
  O  O38  1  0.250  0.430  0.207  1.0
  O  O39  1  0.750  0.409  0.095  1.0
  O  O40  1  0.060  0.326  0.921  1.0
  O  O41  1  0.440  0.326  0.921  1.0
  O  O42  1  0.436  0.312  0.414  1.0
  O  O43  1  0.064  0.312  0.414  1.0
  O  O44  1  0.750  0.165  0.760  1.0
  O  O45  1  0.250  0.107  0.668  1.0
  O  O46  1  0.750  0.152  0.267  1.0
  O  O47  1  0.750  0.080  0.974  1.0
  O  O48  1  0.250  0.096  0.185  1.0
  O  O49  1  0.750  0.076  0.483  1.0
[/CIF]
.
The compound described by Li5Mn2P2(CO7)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) 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 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(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 64-83°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(4), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-59°. In the second P site, P(2) is bonded to one O(12), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(6)Li2MnC trigonal pyramid, corners with two equivalent O(4)Li2MnC trigonal pyramids, corners with two equivalent O(7)Li2MnP trigonal pyramids, corners with two equivalent O(9)Li2MnP trigonal pyramids, and  an edgeedge with one O(10)Li2MnP tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(2) and one C(2) atom. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Mn(1), and one C(1) atom to form distorted OLi2MnC trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(10)Li2MnP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(11)Li2MnP trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids, and  an edgeedge with one O(9)Li2MnP trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Li(3) and one C(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(3), one Mn(2), and one C(2) atom to form distorted OLi2MnC trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(9)Li2MnP trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids, and  an edgeedge with one O(11)Li2MnP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnC trigonal pyramid,  a cornercorner with one O(6)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid,  a cornercorner with one O(7)Li2MnP trigonal pyramid,  an edgeedge with one O(11)Li2MnP trigonal pyramid, and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the ninth O site, O(9) is bonded to two equivalent Li(2), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with three equivalent O(10)Li2MnP tetrahedra,  a cornercorner with one O(6)Li2MnC trigonal pyramid, and  an edgeedge with one O(4)Li2MnC trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Mn(2), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(6)Li2MnC trigonal pyramid,  a cornercorner with one O(11)Li2MnP trigonal pyramid, corners with two equivalent O(4)Li2MnC trigonal pyramids, corners with two equivalent O(7)Li2MnP trigonal pyramids, corners with three equivalent O(9)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(10)Li2MnP tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnC trigonal pyramid, corners with two equivalent O(7)Li2MnP trigonal pyramids,  an edgeedge with one O(6)Li2MnC trigonal pyramid, and edges with two equivalent O(7)Li2MnP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(3), one Mn(1), and one P(2) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(4)Li2MnC trigonal pyramid,  a cornercorner with one O(9)Li2MnP trigonal pyramid, corners with two equivalent O(6)Li2MnC trigonal pyramids, corners with three equivalent O(11)Li2MnP trigonal pyramids, and corners with four equivalent O(7)Li2MnP trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.442
_cell_length_b   8.514
_cell_length_c   10.091
_cell_angle_alpha   86.099
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.185
_cell_formula_units_Z   2
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  0.750  0.903  0.617  1.0
  Li  Li1  1  0.980  0.752  0.881  1.0
  Li  Li2  1  0.520  0.752  0.881  1.0
  Li  Li3  1  0.979  0.738  0.364  1.0
  Li  Li4  1  0.521  0.738  0.364  1.0
  Li  Li5  1  0.479  0.262  0.636  1.0
  Li  Li6  1  0.021  0.262  0.636  1.0
  Li  Li7  1  0.480  0.248  0.119  1.0
  Li  Li8  1  0.020  0.248  0.119  1.0
  Li  Li9  1  0.250  0.097  0.383  1.0
  Mn  Mn10  1  0.250  0.661  0.607  1.0
  Mn  Mn11  1  0.250  0.659  0.101  1.0
  Mn  Mn12  1  0.750  0.341  0.899  1.0
  Mn  Mn13  1  0.750  0.339  0.393  1.0
  P  P14  1  0.750  0.586  0.639  1.0
  P  P15  1  0.750  0.582  0.137  1.0
  P  P16  1  0.250  0.418  0.863  1.0
  P  P17  1  0.250  0.414  0.361  1.0
  C  C18  1  0.250  0.964  0.639  1.0
  C  C19  1  0.250  0.954  0.146  1.0
  C  C20  1  0.750  0.046  0.854  1.0
  C  C21  1  0.750  0.036  0.361  1.0
  O  O22  1  0.250  0.924  0.517  1.0
  O  O23  1  0.750  0.904  0.815  1.0
  O  O24  1  0.250  0.920  0.026  1.0
  O  O25  1  0.250  0.848  0.733  1.0
  O  O26  1  0.750  0.893  0.332  1.0
  O  O27  1  0.250  0.835  0.240  1.0
  O  O28  1  0.936  0.688  0.586  1.0
  O  O29  1  0.564  0.688  0.586  1.0
  O  O30  1  0.940  0.674  0.079  1.0
  O  O31  1  0.560  0.674  0.079  1.0
  O  O32  1  0.250  0.591  0.905  1.0
  O  O33  1  0.750  0.570  0.793  1.0
  O  O34  1  0.250  0.581  0.414  1.0
  O  O35  1  0.750  0.573  0.292  1.0
  O  O36  1  0.250  0.427  0.708  1.0
  O  O37  1  0.750  0.419  0.586  1.0
  O  O38  1  0.250  0.430  0.207  1.0
  O  O39  1  0.750  0.409  0.095  1.0
  O  O40  1  0.060  0.326  0.921  1.0
  O  O41  1  0.440  0.326  0.921  1.0
  O  O42  1  0.436  0.312  0.414  1.0
  O  O43  1  0.064  0.312  0.414  1.0
  O  O44  1  0.750  0.165  0.760  1.0
  O  O45  1  0.250  0.107  0.668  1.0
  O  O46  1  0.750  0.152  0.267  1.0
  O  O47  1  0.750  0.080  0.974  1.0
  O  O48  1  0.250  0.096  0.185  1.0
  O  O49  1  0.750  0.076  0.483  1.0
[/CIF]
.