The material described by Li5Fe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-87°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(14), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-77°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(14), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), 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(1), 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(13), one O(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-54°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-59°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(10)Li2FeP trigonal pyramid and corners with two equivalent O(6)Li2FeC trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(1), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra and  a cornercorner with one O(10)Li2FeP trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra and  a cornercorner with one O(6)Li2FeC trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   9.418
_cell_length_c   10.098
_cell_angle_alpha   117.033
_cell_angle_beta   89.835
_cell_angle_gamma   91.055
_symmetry_Int_Tables_number   1
_cell_volume   549.643
_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  0.254  0.107  0.440  1.0
  Li  Li1  1  0.259  0.089  0.925  1.0
  Li  Li2  1  0.039  0.278  0.270  1.0
  Li  Li3  1  0.484  0.271  0.759  1.0
  Li  Li4  1  0.011  0.270  0.759  1.0
  Li  Li5  1  0.516  0.729  0.241  1.0
  Li  Li6  1  0.989  0.730  0.241  1.0
  Li  Li7  1  0.961  0.722  0.730  1.0
  Li  Li8  1  0.741  0.911  0.075  1.0
  Li  Li9  1  0.746  0.893  0.560  1.0
  Fe  Fe10  1  0.745  0.331  0.070  1.0
  Fe  Fe11  1  0.745  0.331  0.553  1.0
  Fe  Fe12  1  0.255  0.669  0.447  1.0
  Fe  Fe13  1  0.255  0.669  0.930  1.0
  P  P14  1  0.248  0.417  0.064  1.0
  P  P15  1  0.238  0.415  0.574  1.0
  P  P16  1  0.762  0.585  0.426  1.0
  P  P17  1  0.752  0.583  0.936  1.0
  C  C18  1  0.755  0.030  0.367  1.0
  C  C19  1  0.763  0.045  0.867  1.0
  C  C20  1  0.237  0.955  0.133  1.0
  C  C21  1  0.245  0.970  0.633  1.0
  O  O22  1  0.753  0.080  0.009  1.0
  O  O23  1  0.739  0.066  0.507  1.0
  O  O24  1  0.218  0.094  0.237  1.0
  O  O25  1  0.772  0.144  0.329  1.0
  O  O26  1  0.249  0.118  0.736  1.0
  O  O27  1  0.754  0.170  0.841  1.0
  O  O28  1  0.065  0.306  0.061  1.0
  O  O29  1  0.439  0.311  0.043  1.0
  O  O30  1  0.059  0.303  0.575  1.0
  O  O31  1  0.432  0.320  0.575  1.0
  O  O32  1  0.771  0.420  0.286  1.0
  O  O33  1  0.223  0.440  0.434  1.0
  O  O34  1  0.744  0.423  0.796  1.0
  O  O35  1  0.232  0.451  0.925  1.0
  O  O36  1  0.768  0.549  0.075  1.0
  O  O37  1  0.256  0.577  0.204  1.0
  O  O38  1  0.777  0.560  0.566  1.0
  O  O39  1  0.229  0.580  0.714  1.0
  O  O40  1  0.568  0.680  0.425  1.0
  O  O41  1  0.941  0.697  0.425  1.0
  O  O42  1  0.935  0.694  0.939  1.0
  O  O43  1  0.561  0.689  0.957  1.0
  O  O44  1  0.246  0.830  0.159  1.0
  O  O45  1  0.751  0.882  0.264  1.0
  O  O46  1  0.228  0.856  0.671  1.0
  O  O47  1  0.782  0.906  0.763  1.0
  O  O48  1  0.261  0.934  0.493  1.0
  O  O49  1  0.247  0.920  0.991  1.0
[/CIF]
.
The material described by Li5Fe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-87°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(14), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-77°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(14), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(4), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), 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(1), 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(13), one O(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-54°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-59°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(10)Li2FeP trigonal pyramid and corners with two equivalent O(6)Li2FeC trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(1), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra and  a cornercorner with one O(10)Li2FeP trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra and  a cornercorner with one O(6)Li2FeC trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   9.418
_cell_length_c   10.098
_cell_angle_alpha   117.033
_cell_angle_beta   89.835
_cell_angle_gamma   91.055
_symmetry_Int_Tables_number   1
_cell_volume   549.643
_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  0.254  0.107  0.440  1.0
  Li  Li1  1  0.259  0.089  0.925  1.0
  Li  Li2  1  0.039  0.278  0.270  1.0
  Li  Li3  1  0.484  0.271  0.759  1.0
  Li  Li4  1  0.011  0.270  0.759  1.0
  Li  Li5  1  0.516  0.729  0.241  1.0
  Li  Li6  1  0.989  0.730  0.241  1.0
  Li  Li7  1  0.961  0.722  0.730  1.0
  Li  Li8  1  0.741  0.911  0.075  1.0
  Li  Li9  1  0.746  0.893  0.560  1.0
  Fe  Fe10  1  0.745  0.331  0.070  1.0
  Fe  Fe11  1  0.745  0.331  0.553  1.0
  Fe  Fe12  1  0.255  0.669  0.447  1.0
  Fe  Fe13  1  0.255  0.669  0.930  1.0
  P  P14  1  0.248  0.417  0.064  1.0
  P  P15  1  0.238  0.415  0.574  1.0
  P  P16  1  0.762  0.585  0.426  1.0
  P  P17  1  0.752  0.583  0.936  1.0
  C  C18  1  0.755  0.030  0.367  1.0
  C  C19  1  0.763  0.045  0.867  1.0
  C  C20  1  0.237  0.955  0.133  1.0
  C  C21  1  0.245  0.970  0.633  1.0
  O  O22  1  0.753  0.080  0.009  1.0
  O  O23  1  0.739  0.066  0.507  1.0
  O  O24  1  0.218  0.094  0.237  1.0
  O  O25  1  0.772  0.144  0.329  1.0
  O  O26  1  0.249  0.118  0.736  1.0
  O  O27  1  0.754  0.170  0.841  1.0
  O  O28  1  0.065  0.306  0.061  1.0
  O  O29  1  0.439  0.311  0.043  1.0
  O  O30  1  0.059  0.303  0.575  1.0
  O  O31  1  0.432  0.320  0.575  1.0
  O  O32  1  0.771  0.420  0.286  1.0
  O  O33  1  0.223  0.440  0.434  1.0
  O  O34  1  0.744  0.423  0.796  1.0
  O  O35  1  0.232  0.451  0.925  1.0
  O  O36  1  0.768  0.549  0.075  1.0
  O  O37  1  0.256  0.577  0.204  1.0
  O  O38  1  0.777  0.560  0.566  1.0
  O  O39  1  0.229  0.580  0.714  1.0
  O  O40  1  0.568  0.680  0.425  1.0
  O  O41  1  0.941  0.697  0.425  1.0
  O  O42  1  0.935  0.694  0.939  1.0
  O  O43  1  0.561  0.689  0.957  1.0
  O  O44  1  0.246  0.830  0.159  1.0
  O  O45  1  0.751  0.882  0.264  1.0
  O  O46  1  0.228  0.856  0.671  1.0
  O  O47  1  0.782  0.906  0.763  1.0
  O  O48  1  0.261  0.934  0.493  1.0
  O  O49  1  0.247  0.920  0.991  1.0
[/CIF]
.