The compound described by Sm5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing SmPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. In the third Sm site, Sm(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of corner and face-sharing SmPb6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), and four equivalent Sm(2) atoms. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Sm(3), three equivalent Sm(1), and three equivalent Sm(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), and four equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.351
_cell_length_b   8.434
_cell_length_c   15.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1121.141
_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
  Sm  Sm0  1  0.384  0.843  0.882  1.0
  Sm  Sm1  1  0.884  0.657  0.618  1.0
  Sm  Sm2  1  0.616  0.157  0.382  1.0
  Sm  Sm3  1  0.116  0.343  0.118  1.0
  Sm  Sm4  1  0.616  0.157  0.118  1.0
  Sm  Sm5  1  0.116  0.343  0.382  1.0
  Sm  Sm6  1  0.384  0.843  0.618  1.0
  Sm  Sm7  1  0.884  0.657  0.882  1.0
  Sm  Sm8  1  0.541  0.325  0.897  1.0
  Sm  Sm9  1  0.041  0.175  0.603  1.0
  Sm  Sm10  1  0.459  0.675  0.397  1.0
  Sm  Sm11  1  0.959  0.825  0.103  1.0
  Sm  Sm12  1  0.459  0.675  0.103  1.0
  Sm  Sm13  1  0.959  0.825  0.397  1.0
  Sm  Sm14  1  0.541  0.325  0.603  1.0
  Sm  Sm15  1  0.041  0.175  0.897  1.0
  Sm  Sm16  1  0.218  0.503  0.750  1.0
  Sm  Sm17  1  0.718  0.997  0.750  1.0
  Sm  Sm18  1  0.782  0.497  0.250  1.0
  Sm  Sm19  1  0.282  0.003  0.250  1.0
  Pb  Pb20  1  0.274  0.029  0.044  1.0
  Pb  Pb21  1  0.774  0.471  0.456  1.0
  Pb  Pb22  1  0.726  0.971  0.544  1.0
  Pb  Pb23  1  0.226  0.529  0.956  1.0
  Pb  Pb24  1  0.726  0.971  0.956  1.0
  Pb  Pb25  1  0.226  0.529  0.544  1.0
  Pb  Pb26  1  0.274  0.029  0.456  1.0
  Pb  Pb27  1  0.774  0.471  0.044  1.0
  Pb  Pb28  1  0.581  0.626  0.750  1.0
  Pb  Pb29  1  0.081  0.874  0.750  1.0
  Pb  Pb30  1  0.419  0.374  0.250  1.0
  Pb  Pb31  1  0.919  0.126  0.250  1.0
  Pb  Pb32  1  0.350  0.147  0.750  1.0
  Pb  Pb33  1  0.850  0.353  0.750  1.0
  Pb  Pb34  1  0.650  0.853  0.250  1.0
  Pb  Pb35  1  0.150  0.647  0.250  1.0
[/CIF]
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The compound described by Sm5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing SmPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Pb(2), two equivalent Pb(3), and three equivalent Pb(1) atoms. In the third Sm site, Sm(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of corner and face-sharing SmPb6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), and four equivalent Sm(2) atoms. In the second Pb site, Pb(1) is bonded in a 7-coordinate geometry to one Sm(3), three equivalent Sm(1), and three equivalent Sm(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), and four equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.351
_cell_length_b   8.434
_cell_length_c   15.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1121.141
_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
  Sm  Sm0  1  0.384  0.843  0.882  1.0
  Sm  Sm1  1  0.884  0.657  0.618  1.0
  Sm  Sm2  1  0.616  0.157  0.382  1.0
  Sm  Sm3  1  0.116  0.343  0.118  1.0
  Sm  Sm4  1  0.616  0.157  0.118  1.0
  Sm  Sm5  1  0.116  0.343  0.382  1.0
  Sm  Sm6  1  0.384  0.843  0.618  1.0
  Sm  Sm7  1  0.884  0.657  0.882  1.0
  Sm  Sm8  1  0.541  0.325  0.897  1.0
  Sm  Sm9  1  0.041  0.175  0.603  1.0
  Sm  Sm10  1  0.459  0.675  0.397  1.0
  Sm  Sm11  1  0.959  0.825  0.103  1.0
  Sm  Sm12  1  0.459  0.675  0.103  1.0
  Sm  Sm13  1  0.959  0.825  0.397  1.0
  Sm  Sm14  1  0.541  0.325  0.603  1.0
  Sm  Sm15  1  0.041  0.175  0.897  1.0
  Sm  Sm16  1  0.218  0.503  0.750  1.0
  Sm  Sm17  1  0.718  0.997  0.750  1.0
  Sm  Sm18  1  0.782  0.497  0.250  1.0
  Sm  Sm19  1  0.282  0.003  0.250  1.0
  Pb  Pb20  1  0.274  0.029  0.044  1.0
  Pb  Pb21  1  0.774  0.471  0.456  1.0
  Pb  Pb22  1  0.726  0.971  0.544  1.0
  Pb  Pb23  1  0.226  0.529  0.956  1.0
  Pb  Pb24  1  0.726  0.971  0.956  1.0
  Pb  Pb25  1  0.226  0.529  0.544  1.0
  Pb  Pb26  1  0.274  0.029  0.456  1.0
  Pb  Pb27  1  0.774  0.471  0.044  1.0
  Pb  Pb28  1  0.581  0.626  0.750  1.0
  Pb  Pb29  1  0.081  0.874  0.750  1.0
  Pb  Pb30  1  0.419  0.374  0.250  1.0
  Pb  Pb31  1  0.919  0.126  0.250  1.0
  Pb  Pb32  1  0.350  0.147  0.750  1.0
  Pb  Pb33  1  0.850  0.353  0.750  1.0
  Pb  Pb34  1  0.650  0.853  0.250  1.0
  Pb  Pb35  1  0.150  0.647  0.250  1.0
[/CIF]
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