The material described by Na3InSb2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one In(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one In(2), two equivalent In(1), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one In(1), one Sb(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the fourth Na site, Na(4) is bonded to one In(1), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms to form distorted edge-sharing NaInSb4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one In(1), one In(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to two equivalent In(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(6), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Sb(1), one Sb(2), and two equivalent Sb(4) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Na(3), one Na(5), one Na(6), two equivalent Na(2), two equivalent Na(4), one In(1), and one In(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(6), two equivalent Na(1), two equivalent Na(3), two equivalent Na(5), one In(1), and one In(2) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), two equivalent Na(6), and two equivalent In(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(6), two equivalent Na(5), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3InSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   10.334
_cell_length_c   16.654
_cell_angle_alpha   87.249
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1369.028
_cell_formula_units_Z   8
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  0.153  0.871  0.702  1.0
  Na  Na1  1  0.653  0.129  0.798  1.0
  Na  Na2  1  0.847  0.129  0.298  1.0
  Na  Na3  1  0.347  0.871  0.202  1.0
  Na  Na4  1  0.491  0.561  0.107  1.0
  Na  Na5  1  0.991  0.439  0.393  1.0
  Na  Na6  1  0.509  0.439  0.893  1.0
  Na  Na7  1  0.009  0.561  0.607  1.0
  Na  Na8  1  0.972  0.188  0.647  1.0
  Na  Na9  1  0.472  0.812  0.853  1.0
  Na  Na10  1  0.028  0.812  0.353  1.0
  Na  Na11  1  0.528  0.188  0.147  1.0
  Na  Na12  1  0.849  0.383  0.047  1.0
  Na  Na13  1  0.349  0.617  0.453  1.0
  Na  Na14  1  0.151  0.617  0.953  1.0
  Na  Na15  1  0.651  0.383  0.547  1.0
  Na  Na16  1  0.969  0.928  0.892  1.0
  Na  Na17  1  0.469  0.072  0.608  1.0
  Na  Na18  1  0.031  0.072  0.108  1.0
  Na  Na19  1  0.531  0.928  0.392  1.0
  Na  Na20  1  0.013  0.322  0.862  1.0
  Na  Na21  1  0.513  0.678  0.638  1.0
  Na  Na22  1  0.987  0.678  0.138  1.0
  Na  Na23  1  0.487  0.322  0.362  1.0
  In  In24  1  0.852  0.639  0.792  1.0
  In  In25  1  0.352  0.361  0.708  1.0
  In  In26  1  0.148  0.361  0.208  1.0
  In  In27  1  0.648  0.639  0.292  1.0
  In  In28  1  0.863  0.874  0.543  1.0
  In  In29  1  0.363  0.126  0.957  1.0
  In  In30  1  0.137  0.126  0.457  1.0
  In  In31  1  0.637  0.874  0.043  1.0
  Sb  Sb32  1  0.762  0.649  0.962  1.0
  Sb  Sb33  1  0.262  0.351  0.538  1.0
  Sb  Sb34  1  0.238  0.351  0.038  1.0
  Sb  Sb35  1  0.738  0.649  0.462  1.0
  Sb  Sb36  1  0.758  0.880  0.709  1.0
  Sb  Sb37  1  0.258  0.120  0.791  1.0
  Sb  Sb38  1  0.242  0.120  0.291  1.0
  Sb  Sb39  1  0.742  0.880  0.209  1.0
  Sb  Sb40  1  0.781  0.406  0.226  1.0
  Sb  Sb41  1  0.281  0.594  0.274  1.0
  Sb  Sb42  1  0.219  0.594  0.774  1.0
  Sb  Sb43  1  0.719  0.406  0.726  1.0
  Sb  Sb44  1  0.272  0.873  0.022  1.0
  Sb  Sb45  1  0.772  0.127  0.478  1.0
  Sb  Sb46  1  0.728  0.127  0.978  1.0
  Sb  Sb47  1  0.228  0.873  0.522  1.0
[/CIF]
.
The material described by Na3InSb2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one In(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one In(2), two equivalent In(1), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one In(1), one Sb(1), one Sb(3), one Sb(4), and two equivalent Sb(2) atoms. In the fourth Na site, Na(4) is bonded to one In(1), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms to form distorted edge-sharing NaInSb4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one In(1), one In(2), one Sb(1), two equivalent Sb(2), and two equivalent Sb(4) atoms. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to two equivalent In(1), one Sb(1), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(5), two equivalent Na(2), two equivalent Na(6), one Sb(1), one Sb(2), and two equivalent Sb(3) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(5), one Sb(1), one Sb(2), and two equivalent Sb(4) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Na(3), one Na(5), one Na(6), two equivalent Na(2), two equivalent Na(4), one In(1), and one In(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Na(6), two equivalent Na(1), two equivalent Na(3), two equivalent Na(5), one In(1), and one In(2) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), two equivalent Na(6), and two equivalent In(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to one Na(1), one Na(3), one Na(4), one Na(6), two equivalent Na(5), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3InSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.963
_cell_length_b   10.334
_cell_length_c   16.654
_cell_angle_alpha   87.249
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1369.028
_cell_formula_units_Z   8
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  0.153  0.871  0.702  1.0
  Na  Na1  1  0.653  0.129  0.798  1.0
  Na  Na2  1  0.847  0.129  0.298  1.0
  Na  Na3  1  0.347  0.871  0.202  1.0
  Na  Na4  1  0.491  0.561  0.107  1.0
  Na  Na5  1  0.991  0.439  0.393  1.0
  Na  Na6  1  0.509  0.439  0.893  1.0
  Na  Na7  1  0.009  0.561  0.607  1.0
  Na  Na8  1  0.972  0.188  0.647  1.0
  Na  Na9  1  0.472  0.812  0.853  1.0
  Na  Na10  1  0.028  0.812  0.353  1.0
  Na  Na11  1  0.528  0.188  0.147  1.0
  Na  Na12  1  0.849  0.383  0.047  1.0
  Na  Na13  1  0.349  0.617  0.453  1.0
  Na  Na14  1  0.151  0.617  0.953  1.0
  Na  Na15  1  0.651  0.383  0.547  1.0
  Na  Na16  1  0.969  0.928  0.892  1.0
  Na  Na17  1  0.469  0.072  0.608  1.0
  Na  Na18  1  0.031  0.072  0.108  1.0
  Na  Na19  1  0.531  0.928  0.392  1.0
  Na  Na20  1  0.013  0.322  0.862  1.0
  Na  Na21  1  0.513  0.678  0.638  1.0
  Na  Na22  1  0.987  0.678  0.138  1.0
  Na  Na23  1  0.487  0.322  0.362  1.0
  In  In24  1  0.852  0.639  0.792  1.0
  In  In25  1  0.352  0.361  0.708  1.0
  In  In26  1  0.148  0.361  0.208  1.0
  In  In27  1  0.648  0.639  0.292  1.0
  In  In28  1  0.863  0.874  0.543  1.0
  In  In29  1  0.363  0.126  0.957  1.0
  In  In30  1  0.137  0.126  0.457  1.0
  In  In31  1  0.637  0.874  0.043  1.0
  Sb  Sb32  1  0.762  0.649  0.962  1.0
  Sb  Sb33  1  0.262  0.351  0.538  1.0
  Sb  Sb34  1  0.238  0.351  0.038  1.0
  Sb  Sb35  1  0.738  0.649  0.462  1.0
  Sb  Sb36  1  0.758  0.880  0.709  1.0
  Sb  Sb37  1  0.258  0.120  0.791  1.0
  Sb  Sb38  1  0.242  0.120  0.291  1.0
  Sb  Sb39  1  0.742  0.880  0.209  1.0
  Sb  Sb40  1  0.781  0.406  0.226  1.0
  Sb  Sb41  1  0.281  0.594  0.274  1.0
  Sb  Sb42  1  0.219  0.594  0.774  1.0
  Sb  Sb43  1  0.719  0.406  0.726  1.0
  Sb  Sb44  1  0.272  0.873  0.022  1.0
  Sb  Sb45  1  0.772  0.127  0.478  1.0
  Sb  Sb46  1  0.728  0.127  0.978  1.0
  Sb  Sb47  1  0.228  0.873  0.522  1.0
[/CIF]
.