The material 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 in a 4-coordinate geometry to one O(14), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) 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, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-78°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) 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(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-82°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(13) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), 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,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(4)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(13), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), 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,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-59°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), 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,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), 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(1), one Li(2), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(13)Li3C tetrahedra and corners with two equivalent O(12)Li2FeC trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(13)Li3C tetrahedra and corners with two equivalent O(11)Li2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(12)Li2FeC trigonal pyramids and corners with two equivalent O(11)Li2FeP trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(2) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   6.471
_cell_length_c   8.430
_cell_angle_alpha   89.282
_cell_angle_beta   83.862
_cell_angle_gamma   88.962
_symmetry_Int_Tables_number   1
_cell_volume   275.829
_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
  C  C0  1  0.688  0.742  0.041  1.0
  C  C1  1  0.333  0.258  0.961  1.0
  Fe  Fe2  1  0.790  0.760  0.329  1.0
  Fe  Fe3  1  0.216  0.246  0.666  1.0
  Li  Li4  1  0.798  0.243  0.104  1.0
  Li  Li5  1  0.255  0.458  0.276  1.0
  Li  Li6  1  0.741  0.485  0.742  1.0
  Li  Li7  1  0.739  0.996  0.734  1.0
  Li  Li8  1  0.220  0.753  0.899  1.0
  O  O9  1  0.933  0.759  0.072  1.0
  O  O10  1  0.410  0.291  0.097  1.0
  O  O11  1  0.513  0.730  0.165  1.0
  O  O12  1  0.792  0.064  0.310  1.0
  O  O13  1  0.845  0.439  0.303  1.0
  O  O14  1  0.128  0.732  0.426  1.0
  O  O15  1  0.420  0.296  0.441  1.0
  O  O16  1  0.563  0.750  0.542  1.0
  O  O17  1  0.838  0.250  0.574  1.0
  O  O18  1  0.176  0.563  0.700  1.0
  O  O19  1  0.159  0.934  0.686  1.0
  O  O20  1  0.511  0.233  0.835  1.0
  O  O21  1  0.623  0.740  0.897  1.0
  O  O22  1  0.086  0.250  0.935  1.0
  P  P23  1  0.722  0.260  0.413  1.0
  P  P24  1  0.255  0.745  0.583  1.0
[/CIF]
.
The material 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 in a 4-coordinate geometry to one O(14), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) 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, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-78°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) 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(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-82°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(13) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), 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,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(4)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(13), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), 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,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-59°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), 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,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-50°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), 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(1), one Li(2), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Fe(2), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share corners with two equivalent O(13)Li3C tetrahedra and corners with two equivalent O(12)Li2FeC trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share corners with two equivalent O(13)Li3C tetrahedra and corners with two equivalent O(11)Li2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(12)Li2FeC trigonal pyramids and corners with two equivalent O(11)Li2FeP trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(2) atom. is represented by the CIF card [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   6.471
_cell_length_c   8.430
_cell_angle_alpha   89.282
_cell_angle_beta   83.862
_cell_angle_gamma   88.962
_symmetry_Int_Tables_number   1
_cell_volume   275.829
_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
  C  C0  1  0.688  0.742  0.041  1.0
  C  C1  1  0.333  0.258  0.961  1.0
  Fe  Fe2  1  0.790  0.760  0.329  1.0
  Fe  Fe3  1  0.216  0.246  0.666  1.0
  Li  Li4  1  0.798  0.243  0.104  1.0
  Li  Li5  1  0.255  0.458  0.276  1.0
  Li  Li6  1  0.741  0.485  0.742  1.0
  Li  Li7  1  0.739  0.996  0.734  1.0
  Li  Li8  1  0.220  0.753  0.899  1.0
  O  O9  1  0.933  0.759  0.072  1.0
  O  O10  1  0.410  0.291  0.097  1.0
  O  O11  1  0.513  0.730  0.165  1.0
  O  O12  1  0.792  0.064  0.310  1.0
  O  O13  1  0.845  0.439  0.303  1.0
  O  O14  1  0.128  0.732  0.426  1.0
  O  O15  1  0.420  0.296  0.441  1.0
  O  O16  1  0.563  0.750  0.542  1.0
  O  O17  1  0.838  0.250  0.574  1.0
  O  O18  1  0.176  0.563  0.700  1.0
  O  O19  1  0.159  0.934  0.686  1.0
  O  O20  1  0.511  0.233  0.835  1.0
  O  O21  1  0.623  0.740  0.897  1.0
  O  O22  1  0.086  0.250  0.935  1.0
  P  P23  1  0.722  0.260  0.413  1.0
  P  P24  1  0.255  0.745  0.583  1.0
[/CIF]
.