The compound described by Li5Fe2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted 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,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-85°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(7), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), and two equivalent O(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(6), one O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(1)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(11), and one O(3) 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(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(8), and two equivalent O(4) atoms 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 four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-54°. In the second P site, P(2) is bonded to one O(5), one O(7), and two equivalent O(9) atoms 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)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Fe(2), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(10)Li2FeC trigonal pyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and corners with two equivalent O(9)Li2FeP trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(2), one Fe(1), and one P(2) atom to form OLi2FeP tetrahedra that share corners with two equivalent O(10)Li2FeC trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)Li3C tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Fe(2), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(10)Li2FeC trigonal pyramid,  an edgeedge with one O(10)Li2FeC trigonal pyramid, and edges with two equivalent O(9)Li2FeP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, corners with two equivalent O(10)Li2FeC trigonal pyramids,  an edgeedge with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(9)Li2FeP trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(8)Li2FeP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(10)Li2FeC trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(7)Li2FeP tetrahedra. In the twelfth O site, O(12) is bonded in a distorted L-shaped geometry to one Fe(2) and one C(2) atom. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.496
_cell_length_b   5.047
_cell_length_c   8.435
_cell_angle_alpha   85.221
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.586
_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  0.267  0.249  0.260  1.0
  Li  Li1  1  0.733  0.249  0.260  1.0
  Li  Li2  1  0.765  0.746  0.741  1.0
  Li  Li3  1  0.235  0.746  0.741  1.0
  Li  Li4  1  0.000  0.236  0.910  1.0
  Fe  Fe5  1  0.000  0.788  0.337  1.0
  Fe  Fe6  1  0.500  0.211  0.664  1.0
  P  P7  1  0.500  0.737  0.418  1.0
  P  P8  1  0.000  0.286  0.585  1.0
  C  C9  1  0.000  0.698  0.037  1.0
  C  C10  1  0.500  0.285  0.954  1.0
  O  O11  1  0.000  0.941  0.074  1.0
  O  O12  1  0.500  0.328  0.099  1.0
  O  O13  1  0.000  0.508  0.151  1.0
  O  O14  1  0.310  0.837  0.325  1.0
  O  O15  1  0.690  0.837  0.325  1.0
  O  O16  1  0.000  0.187  0.418  1.0
  O  O17  1  0.500  0.422  0.447  1.0
  O  O18  1  0.000  0.595  0.574  1.0
  O  O19  1  0.500  0.839  0.590  1.0
  O  O20  1  0.812  0.177  0.688  1.0
  O  O21  1  0.188  0.177  0.688  1.0
  O  O22  1  0.500  0.482  0.837  1.0
  O  O23  1  0.000  0.638  0.890  1.0
  O  O24  1  0.500  0.050  0.901  1.0
[/CIF]
.
The compound described by Li5Fe2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted 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,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-85°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(7), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), and two equivalent O(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(6), one O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Li(1)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(11), and one O(3) 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(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(8), and two equivalent O(4) atoms 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 four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-54°. In the second P site, P(2) is bonded to one O(5), one O(7), and two equivalent O(9) atoms 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)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Fe(2), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(10)Li2FeC trigonal pyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and corners with two equivalent O(9)Li2FeP trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(2), one Fe(1), and one P(2) atom to form OLi2FeP tetrahedra that share corners with two equivalent O(10)Li2FeC trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)Li3C tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Li(2), one Fe(2), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(10)Li2FeC trigonal pyramid,  an edgeedge with one O(10)Li2FeC trigonal pyramid, and edges with two equivalent O(9)Li2FeP trigonal pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(9)Li2FeP trigonal pyramid, corners with two equivalent O(10)Li2FeC trigonal pyramids,  an edgeedge with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(9)Li2FeP trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(2), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(6)Li2FeP tetrahedra, corners with two equivalent O(7)Li2FeP tetrahedra, corners with two equivalent O(11)Li3C tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(8)Li2FeP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(3), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(10)Li2FeC trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, corners with four equivalent O(9)Li2FeP trigonal pyramids, and  an edgeedge with one O(7)Li2FeP tetrahedra. In the twelfth O site, O(12) is bonded in a distorted L-shaped geometry to one Fe(2) and one C(2) atom. is represented by the CIF file [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.496
_cell_length_b   5.047
_cell_length_c   8.435
_cell_angle_alpha   85.221
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.586
_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  0.267  0.249  0.260  1.0
  Li  Li1  1  0.733  0.249  0.260  1.0
  Li  Li2  1  0.765  0.746  0.741  1.0
  Li  Li3  1  0.235  0.746  0.741  1.0
  Li  Li4  1  0.000  0.236  0.910  1.0
  Fe  Fe5  1  0.000  0.788  0.337  1.0
  Fe  Fe6  1  0.500  0.211  0.664  1.0
  P  P7  1  0.500  0.737  0.418  1.0
  P  P8  1  0.000  0.286  0.585  1.0
  C  C9  1  0.000  0.698  0.037  1.0
  C  C10  1  0.500  0.285  0.954  1.0
  O  O11  1  0.000  0.941  0.074  1.0
  O  O12  1  0.500  0.328  0.099  1.0
  O  O13  1  0.000  0.508  0.151  1.0
  O  O14  1  0.310  0.837  0.325  1.0
  O  O15  1  0.690  0.837  0.325  1.0
  O  O16  1  0.000  0.187  0.418  1.0
  O  O17  1  0.500  0.422  0.447  1.0
  O  O18  1  0.000  0.595  0.574  1.0
  O  O19  1  0.500  0.839  0.590  1.0
  O  O20  1  0.812  0.177  0.688  1.0
  O  O21  1  0.188  0.177  0.688  1.0
  O  O22  1  0.500  0.482  0.837  1.0
  O  O23  1  0.000  0.638  0.890  1.0
  O  O24  1  0.500  0.050  0.901  1.0
[/CIF]
.