The material structure described by Na7Al2Sb5 crystallizes in the monoclinic P2_1/m space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fourth Na site, Na(4) is bonded to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted NaSb5 trigonal bipyramids that share corners with four equivalent Al(1)NaSb4 tetrahedra and edges with two equivalent Al(1)NaSb4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to two equivalent Al(1), one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. Al(1) is bonded to one Na(5), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms to form distorted AlNaSb4 tetrahedra that share corners with two equivalent Na(4)Sb5 trigonal bipyramids, edges with two equivalent Al(1)NaSb4 tetrahedra, and  an edgeedge with one Na(4)Sb5 trigonal bipyramid. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), one Al(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), and two equivalent Al(1) atoms. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na7Al2Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.622
_cell_length_b   7.690
_cell_length_c   8.175
_cell_angle_alpha   62.013
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   756.142
_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  0.250  0.901  0.404  1.0
  Na  Na1  1  0.925  0.890  0.417  1.0
  Na  Na2  1  0.923  0.192  0.883  1.0
  Na  Na3  1  0.423  0.808  0.117  1.0
  Na  Na4  1  0.750  0.099  0.596  1.0
  Na  Na5  1  0.250  0.439  0.261  1.0
  Na  Na6  1  0.750  0.767  0.146  1.0
  Na  Na7  1  0.250  0.233  0.854  1.0
  Na  Na8  1  0.075  0.110  0.583  1.0
  Na  Na9  1  0.077  0.808  0.117  1.0
  Na  Na10  1  0.425  0.110  0.583  1.0
  Na  Na11  1  0.750  0.561  0.739  1.0
  Na  Na12  1  0.577  0.192  0.883  1.0
  Na  Na13  1  0.575  0.890  0.417  1.0
  Al  Al14  1  0.089  0.588  0.839  1.0
  Al  Al15  1  0.589  0.412  0.161  1.0
  Al  Al16  1  0.911  0.412  0.161  1.0
  Al  Al17  1  0.411  0.588  0.839  1.0
  Sb  Sb18  1  0.102  0.530  0.536  1.0
  Sb  Sb19  1  0.921  0.777  0.850  1.0
  Sb  Sb20  1  0.421  0.223  0.150  1.0
  Sb  Sb21  1  0.079  0.223  0.150  1.0
  Sb  Sb22  1  0.898  0.470  0.464  1.0
  Sb  Sb23  1  0.398  0.530  0.536  1.0
  Sb  Sb24  1  0.602  0.470  0.464  1.0
  Sb  Sb25  1  0.250  0.803  0.839  1.0
  Sb  Sb26  1  0.750  0.197  0.161  1.0
  Sb  Sb27  1  0.579  0.777  0.850  1.0
[/CIF]
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The material structure described by Na7Al2Sb5 crystallizes in the monoclinic P2_1/m space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the fourth Na site, Na(4) is bonded to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted NaSb5 trigonal bipyramids that share corners with four equivalent Al(1)NaSb4 tetrahedra and edges with two equivalent Al(1)NaSb4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to two equivalent Al(1), one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. Al(1) is bonded to one Na(5), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms to form distorted AlNaSb4 tetrahedra that share corners with two equivalent Na(4)Sb5 trigonal bipyramids, edges with two equivalent Al(1)NaSb4 tetrahedra, and  an edgeedge with one Na(4)Sb5 trigonal bipyramid. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), one Al(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), and two equivalent Al(1) atoms. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(3), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Na7Al2Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.622
_cell_length_b   7.690
_cell_length_c   8.175
_cell_angle_alpha   62.013
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   756.142
_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  0.250  0.901  0.404  1.0
  Na  Na1  1  0.925  0.890  0.417  1.0
  Na  Na2  1  0.923  0.192  0.883  1.0
  Na  Na3  1  0.423  0.808  0.117  1.0
  Na  Na4  1  0.750  0.099  0.596  1.0
  Na  Na5  1  0.250  0.439  0.261  1.0
  Na  Na6  1  0.750  0.767  0.146  1.0
  Na  Na7  1  0.250  0.233  0.854  1.0
  Na  Na8  1  0.075  0.110  0.583  1.0
  Na  Na9  1  0.077  0.808  0.117  1.0
  Na  Na10  1  0.425  0.110  0.583  1.0
  Na  Na11  1  0.750  0.561  0.739  1.0
  Na  Na12  1  0.577  0.192  0.883  1.0
  Na  Na13  1  0.575  0.890  0.417  1.0
  Al  Al14  1  0.089  0.588  0.839  1.0
  Al  Al15  1  0.589  0.412  0.161  1.0
  Al  Al16  1  0.911  0.412  0.161  1.0
  Al  Al17  1  0.411  0.588  0.839  1.0
  Sb  Sb18  1  0.102  0.530  0.536  1.0
  Sb  Sb19  1  0.921  0.777  0.850  1.0
  Sb  Sb20  1  0.421  0.223  0.150  1.0
  Sb  Sb21  1  0.079  0.223  0.150  1.0
  Sb  Sb22  1  0.898  0.470  0.464  1.0
  Sb  Sb23  1  0.398  0.530  0.536  1.0
  Sb  Sb24  1  0.602  0.470  0.464  1.0
  Sb  Sb25  1  0.250  0.803  0.839  1.0
  Sb  Sb26  1  0.750  0.197  0.161  1.0
  Sb  Sb27  1  0.579  0.777  0.850  1.0
[/CIF]
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