The crystal 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 5-coordinate geometry to one O(2), one O(3), one O(5), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(3), one O(5), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-84°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(4), one O(6), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(14), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(3)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(2), 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(1), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with three equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-60°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), and one C(1) atom to form distorted edge-sharing OLi3C tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), 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(1), one Li(4), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(4), one Li(5), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Fe(2), and one P(1) atom to form distorted edge-sharing OLi2FeP tetrahedra. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(5), one Fe(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   8.446
_cell_length_c   13.022
_cell_angle_alpha   90.083
_cell_angle_beta   90.650
_cell_angle_gamma   95.303
_symmetry_Int_Tables_number   1
_cell_volume   554.745
_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  0.242  0.087  0.116  1.0
  Li  Li1  1  0.227  0.100  0.638  1.0
  Li  Li2  1  0.734  0.268  0.003  1.0
  Li  Li3  1  0.750  0.284  0.226  1.0
  Li  Li4  1  0.751  0.275  0.521  1.0
  Li  Li5  1  0.249  0.725  0.479  1.0
  Li  Li6  1  0.250  0.716  0.774  1.0
  Li  Li7  1  0.267  0.732  0.997  1.0
  Li  Li8  1  0.773  0.900  0.362  1.0
  Li  Li9  1  0.758  0.913  0.884  1.0
  Fe  Fe10  1  0.204  0.337  0.373  1.0
  Fe  Fe11  1  0.205  0.327  0.874  1.0
  Fe  Fe12  1  0.795  0.673  0.126  1.0
  Fe  Fe13  1  0.796  0.663  0.627  1.0
  P  P14  1  0.276  0.416  0.123  1.0
  P  P15  1  0.278  0.417  0.622  1.0
  P  P16  1  0.722  0.583  0.378  1.0
  P  P17  1  0.724  0.584  0.877  1.0
  C  C18  1  0.303  0.030  0.879  1.0
  C  C19  1  0.305  0.048  0.382  1.0
  C  C20  1  0.697  0.970  0.121  1.0
  C  C21  1  0.695  0.952  0.618  1.0
  O  O22  1  0.057  0.080  0.378  1.0
  O  O23  1  0.061  0.067  0.871  1.0
  O  O24  1  0.641  0.117  0.128  1.0
  O  O25  1  0.620  0.090  0.605  1.0
  O  O26  1  0.492  0.142  0.894  1.0
  O  O27  1  0.479  0.174  0.374  1.0
  O  O28  1  0.161  0.314  0.529  1.0
  O  O29  1  0.179  0.296  0.036  1.0
  O  O30  1  0.170  0.325  0.223  1.0
  O  O31  1  0.219  0.311  0.715  1.0
  O  O32  1  0.843  0.421  0.374  1.0
  O  O33  1  0.835  0.424  0.888  1.0
  O  O34  1  0.585  0.436  0.128  1.0
  O  O35  1  0.583  0.456  0.606  1.0
  O  O36  1  0.417  0.544  0.394  1.0
  O  O37  1  0.415  0.564  0.872  1.0
  O  O38  1  0.165  0.576  0.112  1.0
  O  O39  1  0.157  0.579  0.626  1.0
  O  O40  1  0.781  0.689  0.285  1.0
  O  O41  1  0.839  0.686  0.471  1.0
  O  O42  1  0.830  0.675  0.777  1.0
  O  O43  1  0.821  0.704  0.964  1.0
  O  O44  1  0.508  0.858  0.106  1.0
  O  O45  1  0.521  0.826  0.626  1.0
  O  O46  1  0.380  0.910  0.395  1.0
  O  O47  1  0.359  0.883  0.872  1.0
  O  O48  1  0.939  0.933  0.129  1.0
  O  O49  1  0.943  0.920  0.622  1.0
[/CIF]
.
The crystal 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 5-coordinate geometry to one O(2), one O(3), one O(5), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(3), one O(5), and one O(8) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-84°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(3), one O(6), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(4), one O(6), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(14), one O(6), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(3)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(2), 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(1), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with three equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-60°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), and one C(1) atom to form distorted edge-sharing OLi3C tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), 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(1), one Li(4), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(4), one Li(5), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Fe(2), and one P(1) atom to form distorted edge-sharing OLi2FeP tetrahedra. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(5), one Fe(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   8.446
_cell_length_c   13.022
_cell_angle_alpha   90.083
_cell_angle_beta   90.650
_cell_angle_gamma   95.303
_symmetry_Int_Tables_number   1
_cell_volume   554.745
_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  0.242  0.087  0.116  1.0
  Li  Li1  1  0.227  0.100  0.638  1.0
  Li  Li2  1  0.734  0.268  0.003  1.0
  Li  Li3  1  0.750  0.284  0.226  1.0
  Li  Li4  1  0.751  0.275  0.521  1.0
  Li  Li5  1  0.249  0.725  0.479  1.0
  Li  Li6  1  0.250  0.716  0.774  1.0
  Li  Li7  1  0.267  0.732  0.997  1.0
  Li  Li8  1  0.773  0.900  0.362  1.0
  Li  Li9  1  0.758  0.913  0.884  1.0
  Fe  Fe10  1  0.204  0.337  0.373  1.0
  Fe  Fe11  1  0.205  0.327  0.874  1.0
  Fe  Fe12  1  0.795  0.673  0.126  1.0
  Fe  Fe13  1  0.796  0.663  0.627  1.0
  P  P14  1  0.276  0.416  0.123  1.0
  P  P15  1  0.278  0.417  0.622  1.0
  P  P16  1  0.722  0.583  0.378  1.0
  P  P17  1  0.724  0.584  0.877  1.0
  C  C18  1  0.303  0.030  0.879  1.0
  C  C19  1  0.305  0.048  0.382  1.0
  C  C20  1  0.697  0.970  0.121  1.0
  C  C21  1  0.695  0.952  0.618  1.0
  O  O22  1  0.057  0.080  0.378  1.0
  O  O23  1  0.061  0.067  0.871  1.0
  O  O24  1  0.641  0.117  0.128  1.0
  O  O25  1  0.620  0.090  0.605  1.0
  O  O26  1  0.492  0.142  0.894  1.0
  O  O27  1  0.479  0.174  0.374  1.0
  O  O28  1  0.161  0.314  0.529  1.0
  O  O29  1  0.179  0.296  0.036  1.0
  O  O30  1  0.170  0.325  0.223  1.0
  O  O31  1  0.219  0.311  0.715  1.0
  O  O32  1  0.843  0.421  0.374  1.0
  O  O33  1  0.835  0.424  0.888  1.0
  O  O34  1  0.585  0.436  0.128  1.0
  O  O35  1  0.583  0.456  0.606  1.0
  O  O36  1  0.417  0.544  0.394  1.0
  O  O37  1  0.415  0.564  0.872  1.0
  O  O38  1  0.165  0.576  0.112  1.0
  O  O39  1  0.157  0.579  0.626  1.0
  O  O40  1  0.781  0.689  0.285  1.0
  O  O41  1  0.839  0.686  0.471  1.0
  O  O42  1  0.830  0.675  0.777  1.0
  O  O43  1  0.821  0.704  0.964  1.0
  O  O44  1  0.508  0.858  0.106  1.0
  O  O45  1  0.521  0.826  0.626  1.0
  O  O46  1  0.380  0.910  0.395  1.0
  O  O47  1  0.359  0.883  0.872  1.0
  O  O48  1  0.939  0.933  0.129  1.0
  O  O49  1  0.943  0.920  0.622  1.0
[/CIF]
.