The material described by Na3In2Bi3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to two equivalent In(6), one Bi(4), two equivalent Bi(10), and two equivalent Bi(7) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent In(4), two equivalent In(7), one Bi(5), two equivalent Bi(11), and two equivalent Bi(8) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to two equivalent In(8), one Bi(6), two equivalent Bi(12), and two equivalent Bi(9) atoms. In the fourth Na site, Na(4) is bonded in a 9-coordinate geometry to two equivalent In(3), two equivalent In(6), one Bi(3), two equivalent Bi(10), and two equivalent Bi(7) atoms. In the fifth Na site, Na(5) is bonded in a 9-coordinate geometry to two equivalent In(4), two equivalent In(7), one Bi(1), two equivalent Bi(11), and two equivalent Bi(8) atoms. In the sixth Na site, Na(6) is bonded in a 9-coordinate geometry to two equivalent In(5), two equivalent In(8), one Bi(2), two equivalent Bi(12), and two equivalent Bi(9) atoms. In the seventh Na site, Na(7) is bonded in a 5-coordinate geometry to one In(7), one Bi(10), two equivalent Bi(1), and two equivalent Bi(4) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to two equivalent In(1), one Bi(11), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the ninth Na site, Na(9) is bonded in a 7-coordinate geometry to two equivalent In(2), one Bi(12), two equivalent Bi(3), and two equivalent Bi(6) atoms. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one In(3), one Bi(8), two equivalent Bi(1), and two equivalent Bi(4) atoms. In the eleventh Na site, Na(11) is bonded in a 5-coordinate geometry to one In(4), one Bi(9), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the twelfth Na site, Na(12) is bonded in a 6-coordinate geometry to one In(5), one Bi(7), two equivalent Bi(3), and two equivalent Bi(6) atoms. There are eight inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent Na(8), one Bi(2), one Bi(5), and two equivalent Bi(9) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent Na(9), one Bi(3), one Bi(6), and two equivalent Bi(7) atoms. In the third In site, In(3) is bonded in a 7-coordinate geometry to one Na(10), two equivalent Na(4), one Bi(10), one Bi(7), and two equivalent Bi(4) atoms. In the fourth In site, In(4) is bonded in a 9-coordinate geometry to one Na(11), two equivalent Na(2), two equivalent Na(5), one Bi(11), one Bi(8), and two equivalent Bi(5) atoms. In the fifth In site, In(5) is bonded in a 7-coordinate geometry to one Na(12), two equivalent Na(6), one Bi(12), one Bi(9), and two equivalent Bi(6) atoms. In the sixth In site, In(6) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(4), one Bi(10), one Bi(7), and two equivalent Bi(3) atoms. In the seventh In site, In(7) is bonded in a 9-coordinate geometry to one Na(7), two equivalent Na(2), two equivalent Na(5), one Bi(11), one Bi(8), and two equivalent Bi(1) atoms. In the eighth In site, In(8) is bonded in a 8-coordinate geometry to two equivalent Na(3), two equivalent Na(6), one Bi(12), one Bi(9), and two equivalent Bi(2) atoms. There are twelve inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one Na(5), two equivalent Na(10), two equivalent Na(7), and two equivalent In(7) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Na(6), two equivalent Na(11), two equivalent Na(8), one In(1), and two equivalent In(8) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one Na(4), two equivalent Na(12), two equivalent Na(9), one In(2), and two equivalent In(6) atoms. In the fourth Bi site, Bi(4) is bonded to one Na(1), two equivalent Na(10), two equivalent Na(7), and two equivalent In(3) atoms to form distorted face-sharing BiNa5In2 pentagonal bipyramids. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to one Na(2), two equivalent Na(11), two equivalent Na(8), one In(1), and two equivalent In(4) atoms. In the sixth Bi site, Bi(6) is bonded in a 8-coordinate geometry to one Na(3), two equivalent Na(12), two equivalent Na(9), one In(2), and two equivalent In(5) atoms. In the seventh Bi site, Bi(7) is bonded in a 9-coordinate geometry to one Na(12), two equivalent Na(1), two equivalent Na(4), one In(3), one In(6), and two equivalent In(2) atoms. In the eighth Bi site, Bi(8) is bonded in a 7-coordinate geometry to one Na(10), two equivalent Na(2), two equivalent Na(5), one In(4), and one In(7) atom. In the ninth Bi site, Bi(9) is bonded in a 9-coordinate geometry to one Na(11), two equivalent Na(3), two equivalent Na(6), one In(5), one In(8), and two equivalent In(1) atoms. In the tenth Bi site, Bi(10) is bonded in a 7-coordinate geometry to one Na(7), two equivalent Na(1), two equivalent Na(4), one In(3), and one In(6) atom. In the eleventh Bi site, Bi(11) is bonded in a 7-coordinate geometry to one Na(8), two equivalent Na(2), two equivalent Na(5), one In(4), and one In(7) atom. In the twelfth Bi site, Bi(12) is bonded in a 7-coordinate geometry to one Na(9), two equivalent Na(3), two equivalent Na(6), one In(5), and one In(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3In2Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.726
_cell_length_b   8.228
_cell_length_c   27.495
_cell_angle_alpha   89.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.299
_cell_formula_units_Z   4
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  0.500  0.476  0.891  1.0
  Na  Na1  1  0.500  0.475  0.561  1.0
  Na  Na2  1  0.500  0.478  0.226  1.0
  Na  Na3  1  0.500  0.965  0.938  1.0
  Na  Na4  1  0.500  0.969  0.608  1.0
  Na  Na5  1  0.500  0.964  0.273  1.0
  Na  Na6  1  0.000  0.523  0.772  1.0
  Na  Na7  1  0.000  0.529  0.443  1.0
  Na  Na8  1  0.000  0.530  0.108  1.0
  Na  Na9  1  0.000  0.021  0.727  1.0
  Na  Na10  1  0.000  0.021  0.397  1.0
  Na  Na11  1  0.000  0.022  0.063  1.0
  In  In12  1  0.500  0.362  0.358  1.0
  In  In13  1  0.500  0.366  0.023  1.0
  In  In14  1  0.000  0.131  0.854  1.0
  In  In15  1  0.000  0.135  0.527  1.0
  In  In16  1  0.000  0.123  0.188  1.0
  In  In17  1  0.000  0.660  0.973  1.0
  In  In18  1  0.000  0.646  0.641  1.0
  In  In19  1  0.000  0.659  0.308  1.0
  Bi  Bi20  1  0.500  0.719  0.707  1.0
  Bi  Bi21  1  0.500  0.735  0.375  1.0
  Bi  Bi22  1  0.500  0.735  0.041  1.0
  Bi  Bi23  1  0.500  0.230  0.793  1.0
  Bi  Bi24  1  0.500  0.225  0.462  1.0
  Bi  Bi25  1  0.500  0.235  0.129  1.0
  Bi  Bi26  1  0.000  0.262  0.963  1.0
  Bi  Bi27  1  0.000  0.274  0.628  1.0
  Bi  Bi28  1  0.000  0.263  0.295  1.0
  Bi  Bi29  1  0.000  0.767  0.869  1.0
  Bi  Bi30  1  0.000  0.771  0.537  1.0
  Bi  Bi31  1  0.000  0.763  0.203  1.0
[/CIF]
.
The material described by Na3In2Bi3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to two equivalent In(6), one Bi(4), two equivalent Bi(10), and two equivalent Bi(7) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to two equivalent In(4), two equivalent In(7), one Bi(5), two equivalent Bi(11), and two equivalent Bi(8) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to two equivalent In(8), one Bi(6), two equivalent Bi(12), and two equivalent Bi(9) atoms. In the fourth Na site, Na(4) is bonded in a 9-coordinate geometry to two equivalent In(3), two equivalent In(6), one Bi(3), two equivalent Bi(10), and two equivalent Bi(7) atoms. In the fifth Na site, Na(5) is bonded in a 9-coordinate geometry to two equivalent In(4), two equivalent In(7), one Bi(1), two equivalent Bi(11), and two equivalent Bi(8) atoms. In the sixth Na site, Na(6) is bonded in a 9-coordinate geometry to two equivalent In(5), two equivalent In(8), one Bi(2), two equivalent Bi(12), and two equivalent Bi(9) atoms. In the seventh Na site, Na(7) is bonded in a 5-coordinate geometry to one In(7), one Bi(10), two equivalent Bi(1), and two equivalent Bi(4) atoms. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to two equivalent In(1), one Bi(11), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the ninth Na site, Na(9) is bonded in a 7-coordinate geometry to two equivalent In(2), one Bi(12), two equivalent Bi(3), and two equivalent Bi(6) atoms. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one In(3), one Bi(8), two equivalent Bi(1), and two equivalent Bi(4) atoms. In the eleventh Na site, Na(11) is bonded in a 5-coordinate geometry to one In(4), one Bi(9), two equivalent Bi(2), and two equivalent Bi(5) atoms. In the twelfth Na site, Na(12) is bonded in a 6-coordinate geometry to one In(5), one Bi(7), two equivalent Bi(3), and two equivalent Bi(6) atoms. There are eight inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent Na(8), one Bi(2), one Bi(5), and two equivalent Bi(9) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent Na(9), one Bi(3), one Bi(6), and two equivalent Bi(7) atoms. In the third In site, In(3) is bonded in a 7-coordinate geometry to one Na(10), two equivalent Na(4), one Bi(10), one Bi(7), and two equivalent Bi(4) atoms. In the fourth In site, In(4) is bonded in a 9-coordinate geometry to one Na(11), two equivalent Na(2), two equivalent Na(5), one Bi(11), one Bi(8), and two equivalent Bi(5) atoms. In the fifth In site, In(5) is bonded in a 7-coordinate geometry to one Na(12), two equivalent Na(6), one Bi(12), one Bi(9), and two equivalent Bi(6) atoms. In the sixth In site, In(6) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(4), one Bi(10), one Bi(7), and two equivalent Bi(3) atoms. In the seventh In site, In(7) is bonded in a 9-coordinate geometry to one Na(7), two equivalent Na(2), two equivalent Na(5), one Bi(11), one Bi(8), and two equivalent Bi(1) atoms. In the eighth In site, In(8) is bonded in a 8-coordinate geometry to two equivalent Na(3), two equivalent Na(6), one Bi(12), one Bi(9), and two equivalent Bi(2) atoms. There are twelve inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one Na(5), two equivalent Na(10), two equivalent Na(7), and two equivalent In(7) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one Na(6), two equivalent Na(11), two equivalent Na(8), one In(1), and two equivalent In(8) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one Na(4), two equivalent Na(12), two equivalent Na(9), one In(2), and two equivalent In(6) atoms. In the fourth Bi site, Bi(4) is bonded to one Na(1), two equivalent Na(10), two equivalent Na(7), and two equivalent In(3) atoms to form distorted face-sharing BiNa5In2 pentagonal bipyramids. In the fifth Bi site, Bi(5) is bonded in a 8-coordinate geometry to one Na(2), two equivalent Na(11), two equivalent Na(8), one In(1), and two equivalent In(4) atoms. In the sixth Bi site, Bi(6) is bonded in a 8-coordinate geometry to one Na(3), two equivalent Na(12), two equivalent Na(9), one In(2), and two equivalent In(5) atoms. In the seventh Bi site, Bi(7) is bonded in a 9-coordinate geometry to one Na(12), two equivalent Na(1), two equivalent Na(4), one In(3), one In(6), and two equivalent In(2) atoms. In the eighth Bi site, Bi(8) is bonded in a 7-coordinate geometry to one Na(10), two equivalent Na(2), two equivalent Na(5), one In(4), and one In(7) atom. In the ninth Bi site, Bi(9) is bonded in a 9-coordinate geometry to one Na(11), two equivalent Na(3), two equivalent Na(6), one In(5), one In(8), and two equivalent In(1) atoms. In the tenth Bi site, Bi(10) is bonded in a 7-coordinate geometry to one Na(7), two equivalent Na(1), two equivalent Na(4), one In(3), and one In(6) atom. In the eleventh Bi site, Bi(11) is bonded in a 7-coordinate geometry to one Na(8), two equivalent Na(2), two equivalent Na(5), one In(4), and one In(7) atom. In the twelfth Bi site, Bi(12) is bonded in a 7-coordinate geometry to one Na(9), two equivalent Na(3), two equivalent Na(6), one In(5), and one In(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3In2Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.726
_cell_length_b   8.228
_cell_length_c   27.495
_cell_angle_alpha   89.790
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.299
_cell_formula_units_Z   4
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  0.500  0.476  0.891  1.0
  Na  Na1  1  0.500  0.475  0.561  1.0
  Na  Na2  1  0.500  0.478  0.226  1.0
  Na  Na3  1  0.500  0.965  0.938  1.0
  Na  Na4  1  0.500  0.969  0.608  1.0
  Na  Na5  1  0.500  0.964  0.273  1.0
  Na  Na6  1  0.000  0.523  0.772  1.0
  Na  Na7  1  0.000  0.529  0.443  1.0
  Na  Na8  1  0.000  0.530  0.108  1.0
  Na  Na9  1  0.000  0.021  0.727  1.0
  Na  Na10  1  0.000  0.021  0.397  1.0
  Na  Na11  1  0.000  0.022  0.063  1.0
  In  In12  1  0.500  0.362  0.358  1.0
  In  In13  1  0.500  0.366  0.023  1.0
  In  In14  1  0.000  0.131  0.854  1.0
  In  In15  1  0.000  0.135  0.527  1.0
  In  In16  1  0.000  0.123  0.188  1.0
  In  In17  1  0.000  0.660  0.973  1.0
  In  In18  1  0.000  0.646  0.641  1.0
  In  In19  1  0.000  0.659  0.308  1.0
  Bi  Bi20  1  0.500  0.719  0.707  1.0
  Bi  Bi21  1  0.500  0.735  0.375  1.0
  Bi  Bi22  1  0.500  0.735  0.041  1.0
  Bi  Bi23  1  0.500  0.230  0.793  1.0
  Bi  Bi24  1  0.500  0.225  0.462  1.0
  Bi  Bi25  1  0.500  0.235  0.129  1.0
  Bi  Bi26  1  0.000  0.262  0.963  1.0
  Bi  Bi27  1  0.000  0.274  0.628  1.0
  Bi  Bi28  1  0.000  0.263  0.295  1.0
  Bi  Bi29  1  0.000  0.767  0.869  1.0
  Bi  Bi30  1  0.000  0.771  0.537  1.0
  Bi  Bi31  1  0.000  0.763  0.203  1.0
[/CIF]
.