The structure described by La3InPb4 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one In(2), one Pb(3), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one In(1), one Pb(4), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one In(1), one In(2), one Pb(2), one Pb(3), one Pb(4), one Pb(5), and two equivalent Pb(1) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to one In(1), one In(2), one Pb(3), one Pb(4), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), one Pb(3), and two equivalent Pb(5) atoms. In the second In site, In(2) is bonded in a 8-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), one Pb(4), and two equivalent Pb(5) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one La(1), one La(2), two equivalent La(3), and two equivalent La(4) atoms to form corner-sharing PbLa6 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent La(4) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), and one In(1) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one In(2) atom. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(4), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_La3InPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.911
_cell_length_b   8.911
_cell_length_c   8.869
_cell_angle_alpha   60.228
_cell_angle_beta   60.228
_cell_angle_gamma   90.683
_symmetry_Int_Tables_number   1
_cell_volume   498.432
_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
  La  La0  1  0.666  0.166  0.173  1.0
  La  La1  1  0.339  0.839  0.827  1.0
  La  La2  1  0.156  0.340  0.500  1.0
  La  La3  1  0.840  0.656  0.500  1.0
  La  La4  1  0.754  0.754  0.000  1.0
  La  La5  1  0.254  0.254  0.000  1.0
  In  In6  1  0.318  0.818  0.222  1.0
  In  In7  1  0.039  0.539  0.778  1.0
  Pb  Pb8  1  0.505  0.505  1.000  1.0
  Pb  Pb9  1  0.005  0.005  1.000  1.0
  Pb  Pb10  1  0.819  0.034  0.500  1.0
  Pb  Pb11  1  0.534  0.319  0.500  1.0
  Pb  Pb12  1  0.666  0.166  0.800  1.0
  Pb  Pb13  1  0.966  0.466  0.201  1.0
  Pb  Pb14  1  0.176  0.961  0.500  1.0
  Pb  Pb15  1  0.461  0.676  0.500  1.0
[/CIF]
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The structure described by La3InPb4 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one In(2), one Pb(3), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one In(1), one Pb(4), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one In(1), one In(2), one Pb(2), one Pb(3), one Pb(4), one Pb(5), and two equivalent Pb(1) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to one In(1), one In(2), one Pb(3), one Pb(4), two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(5) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), one Pb(3), and two equivalent Pb(5) atoms. In the second In site, In(2) is bonded in a 8-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), one Pb(4), and two equivalent Pb(5) atoms. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one La(1), one La(2), two equivalent La(3), and two equivalent La(4) atoms to form corner-sharing PbLa6 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent La(4) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), and one In(1) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one In(2) atom. In the fifth Pb site, Pb(5) is bonded in a 7-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(4), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_La3InPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.911
_cell_length_b   8.911
_cell_length_c   8.869
_cell_angle_alpha   60.228
_cell_angle_beta   60.228
_cell_angle_gamma   90.683
_symmetry_Int_Tables_number   1
_cell_volume   498.432
_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
  La  La0  1  0.666  0.166  0.173  1.0
  La  La1  1  0.339  0.839  0.827  1.0
  La  La2  1  0.156  0.340  0.500  1.0
  La  La3  1  0.840  0.656  0.500  1.0
  La  La4  1  0.754  0.754  0.000  1.0
  La  La5  1  0.254  0.254  0.000  1.0
  In  In6  1  0.318  0.818  0.222  1.0
  In  In7  1  0.039  0.539  0.778  1.0
  Pb  Pb8  1  0.505  0.505  1.000  1.0
  Pb  Pb9  1  0.005  0.005  1.000  1.0
  Pb  Pb10  1  0.819  0.034  0.500  1.0
  Pb  Pb11  1  0.534  0.319  0.500  1.0
  Pb  Pb12  1  0.666  0.166  0.800  1.0
  Pb  Pb13  1  0.966  0.466  0.201  1.0
  Pb  Pb14  1  0.176  0.961  0.500  1.0
  Pb  Pb15  1  0.461  0.676  0.500  1.0
[/CIF]
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