The compound described by Na5Fe2P2(CO7)2 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), 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(2), one O(3), one O(5), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(3), one O(5), and one O(8) atom. In the fourth Na site, Na(4) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(5)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the fifth Na site, Na(5) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 65°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(3), one O(6), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(4)O7 pentagonal bipyramid,  a cornercorner with one Na(5)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(5)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Na(4)O7 pentagonal bipyramid, and  a faceface with one Na(5)O7 pentagonal 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(4), 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(3), 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(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid,  a cornercorner with one Na(5)O7 pentagonal bipyramid,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-49°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(13), 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,  a cornercorner with one Na(4)O7 pentagonal bipyramid, and  a cornercorner with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(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 Na(2), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.412
_cell_length_b   10.495
_cell_length_c   6.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.059
_symmetry_Int_Tables_number   1
_cell_volume   627.661
_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
  Na  Na0  1  0.914  0.417  0.758  1.0
  Na  Na1  1  0.922  0.926  0.751  1.0
  Na  Na2  1  0.735  0.258  0.513  1.0
  Na  Na3  1  0.737  0.756  0.999  1.0
  Na  Na4  1  0.738  0.756  0.501  1.0
  Na  Na5  1  0.263  0.244  0.499  1.0
  Na  Na6  1  0.262  0.244  0.001  1.0
  Na  Na7  1  0.265  0.742  0.013  1.0
  Na  Na8  1  0.078  0.074  0.251  1.0
  Na  Na9  1  0.086  0.583  0.258  1.0
  Fe  Fe10  1  0.652  0.070  0.240  1.0
  Fe  Fe11  1  0.648  0.557  0.244  1.0
  Fe  Fe12  1  0.352  0.443  0.744  1.0
  Fe  Fe13  1  0.348  0.930  0.740  1.0
  P  P14  1  0.580  0.059  0.748  1.0
  P  P15  1  0.581  0.567  0.747  1.0
  P  P16  1  0.419  0.433  0.247  1.0
  P  P17  1  0.420  0.941  0.248  1.0
  C  C18  1  0.942  0.397  0.256  1.0
  C  C19  1  0.932  0.897  0.249  1.0
  C  C20  1  0.068  0.103  0.749  1.0
  C  C21  1  0.058  0.603  0.756  1.0
  O  O22  1  0.928  0.184  0.731  1.0
  O  O23  1  0.916  0.687  0.750  1.0
  O  O24  1  0.869  0.039  0.264  1.0
  O  O25  1  0.881  0.540  0.246  1.0
  O  O26  1  0.855  0.342  0.269  1.0
  O  O27  1  0.843  0.841  0.251  1.0
  O  O28  1  0.679  0.034  0.938  1.0
  O  O29  1  0.677  0.046  0.561  1.0
  O  O30  1  0.679  0.552  0.935  1.0
  O  O31  1  0.677  0.557  0.561  1.0
  O  O32  1  0.568  0.286  0.257  1.0
  O  O33  1  0.565  0.791  0.253  1.0
  O  O34  1  0.544  0.440  0.737  1.0
  O  O35  1  0.545  0.930  0.743  1.0
  O  O36  1  0.455  0.070  0.243  1.0
  O  O37  1  0.456  0.560  0.237  1.0
  O  O38  1  0.435  0.209  0.752  1.0
  O  O39  1  0.432  0.714  0.757  1.0
  O  O40  1  0.321  0.448  0.435  1.0
  O  O41  1  0.323  0.443  0.061  1.0
  O  O42  1  0.323  0.954  0.061  1.0
  O  O43  1  0.321  0.966  0.438  1.0
  O  O44  1  0.157  0.159  0.751  1.0
  O  O45  1  0.145  0.658  0.769  1.0
  O  O46  1  0.119  0.460  0.746  1.0
  O  O47  1  0.131  0.961  0.764  1.0
  O  O48  1  0.084  0.313  0.250  1.0
  O  O49  1  0.072  0.816  0.231  1.0
[/CIF]
.
The compound described by Na5Fe2P2(CO7)2 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), 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(2), one O(3), one O(5), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(3), one O(5), and one O(8) atom. In the fourth Na site, Na(4) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(5)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the fifth Na site, Na(5) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 65°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(3), one O(6), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(4)O7 pentagonal bipyramid,  a cornercorner with one Na(5)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(5)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Na(4)O7 pentagonal bipyramid, and  a faceface with one Na(5)O7 pentagonal 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(4), 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(3), 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(14), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid,  a cornercorner with one Na(5)O7 pentagonal bipyramid,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-49°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(13), 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,  a cornercorner with one Na(4)O7 pentagonal bipyramid, and  a cornercorner with one Na(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Fe(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(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 Na(2), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(3), one Fe(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.412
_cell_length_b   10.495
_cell_length_c   6.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.059
_symmetry_Int_Tables_number   1
_cell_volume   627.661
_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
  Na  Na0  1  0.914  0.417  0.758  1.0
  Na  Na1  1  0.922  0.926  0.751  1.0
  Na  Na2  1  0.735  0.258  0.513  1.0
  Na  Na3  1  0.737  0.756  0.999  1.0
  Na  Na4  1  0.738  0.756  0.501  1.0
  Na  Na5  1  0.263  0.244  0.499  1.0
  Na  Na6  1  0.262  0.244  0.001  1.0
  Na  Na7  1  0.265  0.742  0.013  1.0
  Na  Na8  1  0.078  0.074  0.251  1.0
  Na  Na9  1  0.086  0.583  0.258  1.0
  Fe  Fe10  1  0.652  0.070  0.240  1.0
  Fe  Fe11  1  0.648  0.557  0.244  1.0
  Fe  Fe12  1  0.352  0.443  0.744  1.0
  Fe  Fe13  1  0.348  0.930  0.740  1.0
  P  P14  1  0.580  0.059  0.748  1.0
  P  P15  1  0.581  0.567  0.747  1.0
  P  P16  1  0.419  0.433  0.247  1.0
  P  P17  1  0.420  0.941  0.248  1.0
  C  C18  1  0.942  0.397  0.256  1.0
  C  C19  1  0.932  0.897  0.249  1.0
  C  C20  1  0.068  0.103  0.749  1.0
  C  C21  1  0.058  0.603  0.756  1.0
  O  O22  1  0.928  0.184  0.731  1.0
  O  O23  1  0.916  0.687  0.750  1.0
  O  O24  1  0.869  0.039  0.264  1.0
  O  O25  1  0.881  0.540  0.246  1.0
  O  O26  1  0.855  0.342  0.269  1.0
  O  O27  1  0.843  0.841  0.251  1.0
  O  O28  1  0.679  0.034  0.938  1.0
  O  O29  1  0.677  0.046  0.561  1.0
  O  O30  1  0.679  0.552  0.935  1.0
  O  O31  1  0.677  0.557  0.561  1.0
  O  O32  1  0.568  0.286  0.257  1.0
  O  O33  1  0.565  0.791  0.253  1.0
  O  O34  1  0.544  0.440  0.737  1.0
  O  O35  1  0.545  0.930  0.743  1.0
  O  O36  1  0.455  0.070  0.243  1.0
  O  O37  1  0.456  0.560  0.237  1.0
  O  O38  1  0.435  0.209  0.752  1.0
  O  O39  1  0.432  0.714  0.757  1.0
  O  O40  1  0.321  0.448  0.435  1.0
  O  O41  1  0.323  0.443  0.061  1.0
  O  O42  1  0.323  0.954  0.061  1.0
  O  O43  1  0.321  0.966  0.438  1.0
  O  O44  1  0.157  0.159  0.751  1.0
  O  O45  1  0.145  0.658  0.769  1.0
  O  O46  1  0.119  0.460  0.746  1.0
  O  O47  1  0.131  0.961  0.764  1.0
  O  O48  1  0.084  0.313  0.250  1.0
  O  O49  1  0.072  0.816  0.231  1.0
[/CIF]
.