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(1), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(3), and one O(4) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(4), one O(5), one O(8), and one O(9) 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(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-75°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(14), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner 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(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(11), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(2) 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 1-coordinate geometry to one Li(3), one Li(4), one Fe(1), 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 distorted corner-sharing OLi3C tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Fe(1), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one P(2) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), 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(2) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.188
_cell_length_b   8.280
_cell_length_c   8.462
_cell_angle_alpha   92.799
_cell_angle_beta   94.042
_cell_angle_gamma   104.158
_symmetry_Int_Tables_number   1
_cell_volume   553.542
_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  0.740  0.496  0.099  1.0
  Li  Li1  1  0.249  0.976  0.095  1.0
  Li  Li2  1  0.890  0.852  0.272  1.0
  Li  Li3  1  0.592  0.111  0.274  1.0
  Li  Li4  1  0.383  0.363  0.278  1.0
  Li  Li5  1  0.408  0.889  0.726  1.0
  Li  Li6  1  0.617  0.637  0.722  1.0
  Li  Li7  1  0.110  0.148  0.728  1.0
  Li  Li8  1  0.260  0.504  0.901  1.0
  Li  Li9  1  0.751  0.024  0.905  1.0
  Fe  Fe10  1  0.470  0.725  0.321  1.0
  Fe  Fe11  1  0.977  0.232  0.343  1.0
  Fe  Fe12  1  0.023  0.768  0.657  1.0
  Fe  Fe13  1  0.530  0.275  0.679  1.0
  P  P14  1  0.756  0.517  0.414  1.0
  P  P15  1  0.262  0.016  0.418  1.0
  P  P16  1  0.738  0.984  0.582  1.0
  P  P17  1  0.244  0.483  0.586  1.0
  C  C18  1  0.527  0.780  0.027  1.0
  C  C19  1  0.039  0.263  0.053  1.0
  C  C20  1  0.961  0.737  0.947  1.0
  C  C21  1  0.473  0.220  0.973  1.0
  O  O22  1  0.405  0.657  0.059  1.0
  O  O23  1  0.901  0.155  0.083  1.0
  O  O24  1  0.915  0.710  0.086  1.0
  O  O25  1  0.615  0.877  0.146  1.0
  O  O26  1  0.438  0.189  0.117  1.0
  O  O27  1  0.129  0.347  0.179  1.0
  O  O28  1  0.624  0.556  0.290  1.0
  O  O29  1  0.817  0.377  0.322  1.0
  O  O30  1  0.321  0.892  0.308  1.0
  O  O31  1  0.101  0.045  0.325  1.0
  O  O32  1  0.904  0.679  0.447  1.0
  O  O33  1  0.784  0.053  0.418  1.0
  O  O34  1  0.314  0.533  0.429  1.0
  O  O35  1  0.404  0.180  0.445  1.0
  O  O36  1  0.596  0.820  0.555  1.0
  O  O37  1  0.686  0.467  0.571  1.0
  O  O38  1  0.216  0.947  0.582  1.0
  O  O39  1  0.096  0.321  0.553  1.0
  O  O40  1  0.899  0.955  0.675  1.0
  O  O41  1  0.183  0.623  0.678  1.0
  O  O42  1  0.679  0.108  0.692  1.0
  O  O43  1  0.376  0.444  0.710  1.0
  O  O44  1  0.871  0.653  0.821  1.0
  O  O45  1  0.562  0.811  0.883  1.0
  O  O46  1  0.385  0.123  0.854  1.0
  O  O47  1  0.085  0.290  0.914  1.0
  O  O48  1  0.595  0.343  0.941  1.0
  O  O49  1  0.099  0.845  0.917  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(1), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(3), and one O(4) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(4), one O(5), one O(8), and one O(9) 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(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-75°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(14), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner 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(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(11), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one C(2) 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 1-coordinate geometry to one Li(3), one Li(4), one Fe(1), 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 distorted corner-sharing OLi3C tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Fe(1), and one P(1) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one P(2) atom to form distorted corner-sharing OLi2FeP tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), 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(2) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.188
_cell_length_b   8.280
_cell_length_c   8.462
_cell_angle_alpha   92.799
_cell_angle_beta   94.042
_cell_angle_gamma   104.158
_symmetry_Int_Tables_number   1
_cell_volume   553.542
_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  0.740  0.496  0.099  1.0
  Li  Li1  1  0.249  0.976  0.095  1.0
  Li  Li2  1  0.890  0.852  0.272  1.0
  Li  Li3  1  0.592  0.111  0.274  1.0
  Li  Li4  1  0.383  0.363  0.278  1.0
  Li  Li5  1  0.408  0.889  0.726  1.0
  Li  Li6  1  0.617  0.637  0.722  1.0
  Li  Li7  1  0.110  0.148  0.728  1.0
  Li  Li8  1  0.260  0.504  0.901  1.0
  Li  Li9  1  0.751  0.024  0.905  1.0
  Fe  Fe10  1  0.470  0.725  0.321  1.0
  Fe  Fe11  1  0.977  0.232  0.343  1.0
  Fe  Fe12  1  0.023  0.768  0.657  1.0
  Fe  Fe13  1  0.530  0.275  0.679  1.0
  P  P14  1  0.756  0.517  0.414  1.0
  P  P15  1  0.262  0.016  0.418  1.0
  P  P16  1  0.738  0.984  0.582  1.0
  P  P17  1  0.244  0.483  0.586  1.0
  C  C18  1  0.527  0.780  0.027  1.0
  C  C19  1  0.039  0.263  0.053  1.0
  C  C20  1  0.961  0.737  0.947  1.0
  C  C21  1  0.473  0.220  0.973  1.0
  O  O22  1  0.405  0.657  0.059  1.0
  O  O23  1  0.901  0.155  0.083  1.0
  O  O24  1  0.915  0.710  0.086  1.0
  O  O25  1  0.615  0.877  0.146  1.0
  O  O26  1  0.438  0.189  0.117  1.0
  O  O27  1  0.129  0.347  0.179  1.0
  O  O28  1  0.624  0.556  0.290  1.0
  O  O29  1  0.817  0.377  0.322  1.0
  O  O30  1  0.321  0.892  0.308  1.0
  O  O31  1  0.101  0.045  0.325  1.0
  O  O32  1  0.904  0.679  0.447  1.0
  O  O33  1  0.784  0.053  0.418  1.0
  O  O34  1  0.314  0.533  0.429  1.0
  O  O35  1  0.404  0.180  0.445  1.0
  O  O36  1  0.596  0.820  0.555  1.0
  O  O37  1  0.686  0.467  0.571  1.0
  O  O38  1  0.216  0.947  0.582  1.0
  O  O39  1  0.096  0.321  0.553  1.0
  O  O40  1  0.899  0.955  0.675  1.0
  O  O41  1  0.183  0.623  0.678  1.0
  O  O42  1  0.679  0.108  0.692  1.0
  O  O43  1  0.376  0.444  0.710  1.0
  O  O44  1  0.871  0.653  0.821  1.0
  O  O45  1  0.562  0.811  0.883  1.0
  O  O46  1  0.385  0.123  0.854  1.0
  O  O47  1  0.085  0.290  0.914  1.0
  O  O48  1  0.595  0.343  0.941  1.0
  O  O49  1  0.099  0.845  0.917  1.0
[/CIF]
.