The material structure described by Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(19), one O(20), one O(23), one O(26), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(19), one O(20), one O(24), one O(25), and one O(28) atom. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(13), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(12), one O(14), one O(2), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(17), one O(22), and one O(27) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(21), one O(24), and one O(28) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one O(21), one O(27), and one O(4) atom. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(18), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)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(16), one O(19), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(15), one O(20), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), 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(28), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(16), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-61°. In the third P site, P(3) is bonded to one O(13), one O(17), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-53°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(4), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Li(6), one Fe(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(3), one Li(5), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(3), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Li(2), one Fe(3), and one P(1) atom to form distorted corner-sharing ONaLiFeP trigonal pyramids. In the eighth O site, O(8) is bonded to one Na(2), one Li(1), one Fe(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONaLiFeP trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(2), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(15)NaLiFeP trigonal pyramid,  a cornercorner with one O(16)NaLiFeP trigonal pyramid,  a cornercorner with one O(7)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and corners with two equivalent O(13)NaLiFeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Na(4), one Li(2), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(22)Li2FeP tetrahedra,  a cornercorner with one O(15)NaLiFeP trigonal pyramid,  a cornercorner with one O(16)NaLiFeP trigonal pyramid,  a cornercorner with one O(7)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(1), one Fe(1), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra, and  an edgeedge with one O(8)NaLiFeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Li(2), one Fe(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Na(5), one Li(3), one Fe(4), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra, corners with two equivalent O(27)NaLi2C tetrahedra,  a cornercorner with one O(7)NaLiFeP trigonal pyramid, and  an edgeedge with one O(22)Li2FeP tetrahedra. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(4), one Fe(2), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(21)Li2FeP tetrahedra. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(5), one Li(3), one Fe(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded to one Na(6), one Li(4), one Fe(1), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra,  a cornercorner with one O(13)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, corners with two equivalent O(16)NaLiFeP trigonal pyramids, and  an edgeedge with one O(28)NaLi2C tetrahedra. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), one Fe(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), one Fe(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(5), one Fe(2), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(27)NaLi2C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP trigonal pyramid, and  an edgeedge with one O(16)NaLiFeP trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(3), one Li(6), one Fe(4), and one P(4) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(27)NaLi2C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, and  an edgeedge with one O(15)NaLiFeP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(2), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(6), one Li(4), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Fe(2), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(5), one Li(3), one Li(5), and one C(1) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra, and corners with two equivalent O(15)NaLiFeP trigonal pyramids. In the twenty-eighth O site, O(28) is bonded to one Na(6), one Li(4), one Li(6), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra, corners with two equivalent O(16)NaLiFeP trigonal pyramids, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   6.637
_cell_length_c   8.768
_cell_angle_alpha   93.298
_cell_angle_beta   92.382
_cell_angle_gamma   90.470
_symmetry_Int_Tables_number   1
_cell_volume   299.255
_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  0.721  0.763  0.961  1.0
  C  C1  1  0.279  0.234  0.047  1.0
  Fe  Fe2  1  0.783  0.759  0.650  1.0
  Fe  Fe3  1  0.216  0.236  0.345  1.0
  Li  Li4  1  0.225  0.045  0.706  1.0
  Li  Li5  1  0.760  0.965  0.283  1.0
  Li  Li6  1  0.248  0.801  0.093  1.0
  Na  Na7  1  0.758  0.223  0.916  1.0
  Na  Na8  1  0.253  0.509  0.745  1.0
  Na  Na9  1  0.749  0.497  0.255  1.0
  O  O10  1  0.296  0.234  0.900  1.0
  O  O11  1  0.966  0.755  0.933  1.0
  O  O12  1  0.551  0.767  0.847  1.0
  O  O13  1  0.827  0.073  0.678  1.0
  O  O14  1  0.794  0.445  0.669  1.0
  O  O15  1  0.410  0.226  0.567  1.0
  O  O16  1  0.177  0.774  0.577  1.0
  O  O17  1  0.820  0.227  0.417  1.0
  O  O18  1  0.592  0.772  0.431  1.0
  O  O19  1  0.213  0.547  0.331  1.0
  O  O20  1  0.179  0.916  0.309  1.0
  O  O21  1  0.487  0.231  0.137  1.0
  O  O22  1  0.054  0.236  0.109  1.0
  O  O23  1  0.639  0.770  0.099  1.0
  P  P24  1  0.713  0.243  0.580  1.0
  P  P25  1  0.290  0.751  0.415  1.0
[/CIF]
.
The material structure described by Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(19), one O(20), one O(23), one O(26), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(19), one O(20), one O(24), one O(25), and one O(28) atom. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(13), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(12), one O(14), one O(2), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(17), one O(22), and one O(27) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(21), one O(24), and one O(28) atom. In the fifth Li site, Li(5) is bonded in a distorted trigonal planar geometry to one O(21), one O(27), and one O(4) atom. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(18), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)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(16), one O(19), one O(21), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(14), one O(17), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(15), one O(20), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), 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(28), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(16), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-61°. In the third P site, P(3) is bonded to one O(13), one O(17), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Fe(4)O6 octahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-53°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(4), one Li(2), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Li(6), one Fe(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(3), one Li(5), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(3), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Li(2), one Fe(3), and one P(1) atom to form distorted corner-sharing ONaLiFeP trigonal pyramids. In the eighth O site, O(8) is bonded to one Na(2), one Li(1), one Fe(1), and one P(2) atom to form a mixture of distorted corner and edge-sharing ONaLiFeP trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(2), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(15)NaLiFeP trigonal pyramid,  a cornercorner with one O(16)NaLiFeP trigonal pyramid,  a cornercorner with one O(7)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and corners with two equivalent O(13)NaLiFeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Na(4), one Li(2), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(22)Li2FeP tetrahedra,  a cornercorner with one O(15)NaLiFeP trigonal pyramid,  a cornercorner with one O(16)NaLiFeP trigonal pyramid,  a cornercorner with one O(7)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(1), one Fe(1), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra, and  an edgeedge with one O(8)NaLiFeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Li(2), one Fe(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Na(5), one Li(3), one Fe(4), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra, corners with two equivalent O(27)NaLi2C tetrahedra,  a cornercorner with one O(7)NaLiFeP trigonal pyramid, and  an edgeedge with one O(22)Li2FeP tetrahedra. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(4), one Fe(2), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(21)Li2FeP tetrahedra. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(5), one Li(3), one Fe(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded to one Na(6), one Li(4), one Fe(1), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra,  a cornercorner with one O(13)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, corners with two equivalent O(16)NaLiFeP trigonal pyramids, and  an edgeedge with one O(28)NaLi2C tetrahedra. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), one Fe(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), one Fe(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded to one Li(4), one Li(5), one Fe(2), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(27)NaLi2C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP trigonal pyramid, and  an edgeedge with one O(16)NaLiFeP trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(3), one Li(6), one Fe(4), and one P(4) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(27)NaLi2C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(12)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, and  an edgeedge with one O(15)NaLiFeP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(2), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(2), one Na(6), one Li(4), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Fe(2), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(5), one Li(3), one Li(5), and one C(1) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra, and corners with two equivalent O(15)NaLiFeP trigonal pyramids. In the twenty-eighth O site, O(28) is bonded to one Na(6), one Li(4), one Li(6), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(21)Li2FeP tetrahedra,  a cornercorner with one O(22)Li2FeP tetrahedra, corners with two equivalent O(16)NaLiFeP trigonal pyramids, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   6.637
_cell_length_c   8.768
_cell_angle_alpha   93.298
_cell_angle_beta   92.382
_cell_angle_gamma   90.470
_symmetry_Int_Tables_number   1
_cell_volume   299.255
_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  0.721  0.763  0.961  1.0
  C  C1  1  0.279  0.234  0.047  1.0
  Fe  Fe2  1  0.783  0.759  0.650  1.0
  Fe  Fe3  1  0.216  0.236  0.345  1.0
  Li  Li4  1  0.225  0.045  0.706  1.0
  Li  Li5  1  0.760  0.965  0.283  1.0
  Li  Li6  1  0.248  0.801  0.093  1.0
  Na  Na7  1  0.758  0.223  0.916  1.0
  Na  Na8  1  0.253  0.509  0.745  1.0
  Na  Na9  1  0.749  0.497  0.255  1.0
  O  O10  1  0.296  0.234  0.900  1.0
  O  O11  1  0.966  0.755  0.933  1.0
  O  O12  1  0.551  0.767  0.847  1.0
  O  O13  1  0.827  0.073  0.678  1.0
  O  O14  1  0.794  0.445  0.669  1.0
  O  O15  1  0.410  0.226  0.567  1.0
  O  O16  1  0.177  0.774  0.577  1.0
  O  O17  1  0.820  0.227  0.417  1.0
  O  O18  1  0.592  0.772  0.431  1.0
  O  O19  1  0.213  0.547  0.331  1.0
  O  O20  1  0.179  0.916  0.309  1.0
  O  O21  1  0.487  0.231  0.137  1.0
  O  O22  1  0.054  0.236  0.109  1.0
  O  O23  1  0.639  0.770  0.099  1.0
  P  P24  1  0.713  0.243  0.580  1.0
  P  P25  1  0.290  0.751  0.415  1.0
[/CIF]
.