The structure described by Li5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-78°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. 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(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two 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(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), 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 corners with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(14), and one O(6) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(8)Li2FeC trigonal pyramid, corners with two equivalent O(7)Li2FeC trigonal pyramids, and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(5), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one C(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  an edgeedge with one O(5)Li3C tetrahedra and  an edgeedge with one O(7)Li2FeC trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Fe(2) and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   6.458
_cell_length_c   8.471
_cell_angle_alpha   94.841
_cell_angle_beta   94.879
_cell_angle_gamma   94.064
_symmetry_Int_Tables_number   1
_cell_volume   276.683
_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  0.304  0.044  0.719  1.0
  Li  Li1  1  0.378  0.569  0.741  1.0
  Li  Li2  1  0.642  0.597  0.215  1.0
  Li  Li3  1  0.814  0.836  0.876  1.0
  Li  Li4  1  0.755  0.143  0.225  1.0
  Fe  Fe5  1  0.211  0.840  0.318  1.0
  Fe  Fe6  1  0.832  0.334  0.630  1.0
  P  P7  1  0.295  0.345  0.394  1.0
  P  P8  1  0.737  0.830  0.556  1.0
  C  C9  1  0.336  0.854  0.021  1.0
  C  C10  1  0.751  0.344  0.920  1.0
  O  O11  1  0.092  0.840  0.045  1.0
  O  O12  1  0.185  0.401  0.559  1.0
  O  O13  1  0.129  0.153  0.310  1.0
  O  O14  1  0.295  0.528  0.291  1.0
  O  O15  1  0.415  0.839  0.878  1.0
  O  O16  1  0.447  0.883  0.536  1.0
  O  O17  1  0.556  0.302  0.803  1.0
  O  O18  1  0.513  0.876  0.143  1.0
  O  O19  1  0.592  0.293  0.429  1.0
  O  O20  1  0.707  0.354  0.065  1.0
  O  O21  1  0.757  0.648  0.668  1.0
  O  O22  1  0.844  0.769  0.396  1.0
  O  O23  1  0.982  0.375  0.869  1.0
  O  O24  1  0.905  0.021  0.652  1.0
[/CIF]
.
The structure described by Li5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-78°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. 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(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two 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(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), 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 corners with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(14), and one O(6) 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(8)Li2FeC trigonal pyramid, corners with two equivalent O(7)Li2FeC trigonal pyramids, and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra and  an edgeedge with one O(11)Li2FeP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(5), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(5), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one C(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  an edgeedge with one O(5)Li3C tetrahedra and  an edgeedge with one O(7)Li2FeC trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Fe(2) and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Fe(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   6.458
_cell_length_c   8.471
_cell_angle_alpha   94.841
_cell_angle_beta   94.879
_cell_angle_gamma   94.064
_symmetry_Int_Tables_number   1
_cell_volume   276.683
_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  0.304  0.044  0.719  1.0
  Li  Li1  1  0.378  0.569  0.741  1.0
  Li  Li2  1  0.642  0.597  0.215  1.0
  Li  Li3  1  0.814  0.836  0.876  1.0
  Li  Li4  1  0.755  0.143  0.225  1.0
  Fe  Fe5  1  0.211  0.840  0.318  1.0
  Fe  Fe6  1  0.832  0.334  0.630  1.0
  P  P7  1  0.295  0.345  0.394  1.0
  P  P8  1  0.737  0.830  0.556  1.0
  C  C9  1  0.336  0.854  0.021  1.0
  C  C10  1  0.751  0.344  0.920  1.0
  O  O11  1  0.092  0.840  0.045  1.0
  O  O12  1  0.185  0.401  0.559  1.0
  O  O13  1  0.129  0.153  0.310  1.0
  O  O14  1  0.295  0.528  0.291  1.0
  O  O15  1  0.415  0.839  0.878  1.0
  O  O16  1  0.447  0.883  0.536  1.0
  O  O17  1  0.556  0.302  0.803  1.0
  O  O18  1  0.513  0.876  0.143  1.0
  O  O19  1  0.592  0.293  0.429  1.0
  O  O20  1  0.707  0.354  0.065  1.0
  O  O21  1  0.757  0.648  0.668  1.0
  O  O22  1  0.844  0.769  0.396  1.0
  O  O23  1  0.982  0.375  0.869  1.0
  O  O24  1  0.905  0.021  0.652  1.0
[/CIF]
.