The structure 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(14), one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-74°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(13), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), and one O(14) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-80°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(13), one O(14), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. 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(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(9) 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)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(13), one O(14), one O(2), and one O(4) 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(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Fe(2) and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(14)Li2FeP trigonal pyramid,  an edgeedge with one O(5)Li3C tetrahedra,  an edgeedge with one O(3)Li2FeC trigonal pyramid, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Fe(2), and one C(1) atom to form distorted OLi2FeC trigonal pyramids that share corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(14)Li2FeP trigonal pyramid, corners with three equivalent O(3)Li2FeC trigonal pyramids, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), 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(1), one Fe(1), and one C(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Fe(1), and one C(2) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(5), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(10)Li2FeC trigonal pyramid,  a cornercorner with one O(3)Li2FeC trigonal pyramid,  a cornercorner with one O(2)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   9.473
_cell_length_c   10.260
_cell_angle_alpha   62.602
_cell_angle_beta   86.132
_cell_angle_gamma   83.819
_symmetry_Int_Tables_number   1
_cell_volume   548.828
_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  0.257  0.896  0.700  1.0
  Li  Li1  1  0.523  0.761  0.549  1.0
  Li  Li2  1  0.054  0.749  0.513  1.0
  Li  Li3  1  0.946  0.251  0.487  1.0
  Li  Li4  1  0.477  0.239  0.451  1.0
  Li  Li5  1  0.502  0.762  0.060  1.0
  Li  Li6  1  0.743  0.104  0.300  1.0
  Li  Li7  1  0.042  0.744  0.016  1.0
  Li  Li8  1  0.958  0.256  0.984  1.0
  Li  Li9  1  0.498  0.238  0.940  1.0
  Fe  Fe10  1  0.246  0.343  0.669  1.0
  Fe  Fe11  1  0.754  0.657  0.331  1.0
  Fe  Fe12  1  0.244  0.337  0.179  1.0
  Fe  Fe13  1  0.756  0.663  0.821  1.0
  P  P14  1  0.744  0.413  0.680  1.0
  P  P15  1  0.256  0.587  0.320  1.0
  P  P16  1  0.740  0.424  0.181  1.0
  P  P17  1  0.260  0.576  0.819  1.0
  C  C18  1  0.757  0.953  0.614  1.0
  C  C19  1  0.753  0.949  0.142  1.0
  C  C20  1  0.243  0.047  0.386  1.0
  C  C21  1  0.247  0.051  0.858  1.0
  O  O22  1  0.736  0.925  0.748  1.0
  O  O23  1  0.442  0.686  0.765  1.0
  O  O24  1  0.793  0.832  0.583  1.0
  O  O25  1  0.201  0.546  0.687  1.0
  O  O26  1  0.258  0.903  0.498  1.0
  O  O27  1  0.555  0.310  0.720  1.0
  O  O28  1  0.685  0.578  0.544  1.0
  O  O29  1  0.269  0.096  0.717  1.0
  O  O30  1  0.940  0.332  0.635  1.0
  O  O31  1  0.731  0.904  0.283  1.0
  O  O32  1  0.315  0.422  0.456  1.0
  O  O33  1  0.060  0.668  0.365  1.0
  O  O34  1  0.445  0.690  0.280  1.0
  O  O35  1  0.742  0.097  0.502  1.0
  O  O36  1  0.799  0.454  0.313  1.0
  O  O37  1  0.207  0.168  0.417  1.0
  O  O38  1  0.784  0.830  0.107  1.0
  O  O39  1  0.209  0.567  0.184  1.0
  O  O40  1  0.256  0.905  0.951  1.0
  O  O41  1  0.558  0.314  0.235  1.0
  O  O42  1  0.684  0.585  0.048  1.0
  O  O43  1  0.264  0.075  0.252  1.0
  O  O44  1  0.927  0.324  0.149  1.0
  O  O45  1  0.316  0.415  0.952  1.0
  O  O46  1  0.073  0.676  0.851  1.0
  O  O47  1  0.744  0.095  0.049  1.0
  O  O48  1  0.791  0.433  0.816  1.0
  O  O49  1  0.216  0.170  0.893  1.0
[/CIF]
.
The structure 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(14), one O(2), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-74°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(13), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), and one O(14) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-80°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(13), one O(14), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. 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(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(6), one O(7), and one O(9) 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)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(13), one O(14), one O(2), and one O(4) 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(3)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Fe(2) and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(14)Li2FeP trigonal pyramid,  an edgeedge with one O(5)Li3C tetrahedra,  an edgeedge with one O(3)Li2FeC trigonal pyramid, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Fe(2), and one C(1) atom to form distorted OLi2FeC trigonal pyramids that share corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(14)Li2FeP trigonal pyramid, corners with three equivalent O(3)Li2FeC trigonal pyramids, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(4), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), 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(1), one Fe(1), and one C(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(3), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Fe(1), and one C(2) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(5), one Fe(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Fe(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(5), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(10)Li2FeC trigonal pyramid,  a cornercorner with one O(3)Li2FeC trigonal pyramid,  a cornercorner with one O(2)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li2FeP trigonal pyramid. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   9.473
_cell_length_c   10.260
_cell_angle_alpha   62.602
_cell_angle_beta   86.132
_cell_angle_gamma   83.819
_symmetry_Int_Tables_number   1
_cell_volume   548.828
_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  0.257  0.896  0.700  1.0
  Li  Li1  1  0.523  0.761  0.549  1.0
  Li  Li2  1  0.054  0.749  0.513  1.0
  Li  Li3  1  0.946  0.251  0.487  1.0
  Li  Li4  1  0.477  0.239  0.451  1.0
  Li  Li5  1  0.502  0.762  0.060  1.0
  Li  Li6  1  0.743  0.104  0.300  1.0
  Li  Li7  1  0.042  0.744  0.016  1.0
  Li  Li8  1  0.958  0.256  0.984  1.0
  Li  Li9  1  0.498  0.238  0.940  1.0
  Fe  Fe10  1  0.246  0.343  0.669  1.0
  Fe  Fe11  1  0.754  0.657  0.331  1.0
  Fe  Fe12  1  0.244  0.337  0.179  1.0
  Fe  Fe13  1  0.756  0.663  0.821  1.0
  P  P14  1  0.744  0.413  0.680  1.0
  P  P15  1  0.256  0.587  0.320  1.0
  P  P16  1  0.740  0.424  0.181  1.0
  P  P17  1  0.260  0.576  0.819  1.0
  C  C18  1  0.757  0.953  0.614  1.0
  C  C19  1  0.753  0.949  0.142  1.0
  C  C20  1  0.243  0.047  0.386  1.0
  C  C21  1  0.247  0.051  0.858  1.0
  O  O22  1  0.736  0.925  0.748  1.0
  O  O23  1  0.442  0.686  0.765  1.0
  O  O24  1  0.793  0.832  0.583  1.0
  O  O25  1  0.201  0.546  0.687  1.0
  O  O26  1  0.258  0.903  0.498  1.0
  O  O27  1  0.555  0.310  0.720  1.0
  O  O28  1  0.685  0.578  0.544  1.0
  O  O29  1  0.269  0.096  0.717  1.0
  O  O30  1  0.940  0.332  0.635  1.0
  O  O31  1  0.731  0.904  0.283  1.0
  O  O32  1  0.315  0.422  0.456  1.0
  O  O33  1  0.060  0.668  0.365  1.0
  O  O34  1  0.445  0.690  0.280  1.0
  O  O35  1  0.742  0.097  0.502  1.0
  O  O36  1  0.799  0.454  0.313  1.0
  O  O37  1  0.207  0.168  0.417  1.0
  O  O38  1  0.784  0.830  0.107  1.0
  O  O39  1  0.209  0.567  0.184  1.0
  O  O40  1  0.256  0.905  0.951  1.0
  O  O41  1  0.558  0.314  0.235  1.0
  O  O42  1  0.684  0.585  0.048  1.0
  O  O43  1  0.264  0.075  0.252  1.0
  O  O44  1  0.927  0.324  0.149  1.0
  O  O45  1  0.316  0.415  0.952  1.0
  O  O46  1  0.073  0.676  0.851  1.0
  O  O47  1  0.744  0.095  0.049  1.0
  O  O48  1  0.791  0.433  0.816  1.0
  O  O49  1  0.216  0.170  0.893  1.0
[/CIF]
.