The material structure described by Sm5Si4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form a mixture of distorted corner and face-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Sm site, Sm(3) is bonded to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms to form a mixture of distorted corner, face, and edge-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), four equivalent Sm(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Sm(1), three equivalent Sm(2), three equivalent Sm(3), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), four equivalent Sm(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.851
_cell_length_c   14.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   901.158
_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  0.861  0.490  0.250  1.0
  Sm  Sm1  1  0.312  0.181  0.878  1.0
  Sm  Sm2  1  0.139  0.510  0.750  1.0
  Sm  Sm3  1  0.812  0.319  0.622  1.0
  Sm  Sm4  1  0.463  0.686  0.600  1.0
  Sm  Sm5  1  0.688  0.819  0.122  1.0
  Sm  Sm6  1  0.537  0.314  0.100  1.0
  Sm  Sm7  1  0.963  0.814  0.900  1.0
  Sm  Sm8  1  0.639  0.990  0.750  1.0
  Sm  Sm9  1  0.361  0.010  0.250  1.0
  Sm  Sm10  1  0.537  0.314  0.400  1.0
  Sm  Sm11  1  0.037  0.186  0.100  1.0
  Sm  Sm12  1  0.963  0.814  0.600  1.0
  Sm  Sm13  1  0.188  0.681  0.122  1.0
  Sm  Sm14  1  0.688  0.819  0.378  1.0
  Sm  Sm15  1  0.312  0.181  0.622  1.0
  Sm  Sm16  1  0.463  0.686  0.900  1.0
  Sm  Sm17  1  0.037  0.186  0.400  1.0
  Sm  Sm18  1  0.188  0.681  0.378  1.0
  Sm  Sm19  1  0.812  0.319  0.878  1.0
  Si  Si20  1  0.518  0.403  0.750  1.0
  Si  Si21  1  0.136  0.475  0.959  1.0
  Si  Si22  1  0.636  0.025  0.959  1.0
  Si  Si23  1  0.250  0.877  0.750  1.0
  Si  Si24  1  0.250  0.377  0.250  1.0
  Si  Si25  1  0.864  0.525  0.041  1.0
  Si  Si26  1  0.750  0.123  0.250  1.0
  Si  Si27  1  0.482  0.597  0.250  1.0
  Si  Si28  1  0.364  0.975  0.041  1.0
  Si  Si29  1  0.982  0.903  0.250  1.0
  Si  Si30  1  0.864  0.525  0.459  1.0
  Si  Si31  1  0.364  0.975  0.459  1.0
  Si  Si32  1  0.750  0.623  0.750  1.0
  Si  Si33  1  0.136  0.475  0.541  1.0
  Si  Si34  1  0.018  0.097  0.750  1.0
  Si  Si35  1  0.636  0.025  0.541  1.0
[/CIF]
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The material structure described by Sm5Si4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form a mixture of distorted corner and face-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to one Si(3), two equivalent Si(1), and three equivalent Si(2) atoms. In the third Sm site, Sm(3) is bonded to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms to form a mixture of distorted corner, face, and edge-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(3), four equivalent Sm(2), and one Si(3) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Sm(1), three equivalent Sm(2), three equivalent Sm(3), and one Si(2) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), four equivalent Sm(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.851
_cell_length_c   14.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   901.158
_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  0.861  0.490  0.250  1.0
  Sm  Sm1  1  0.312  0.181  0.878  1.0
  Sm  Sm2  1  0.139  0.510  0.750  1.0
  Sm  Sm3  1  0.812  0.319  0.622  1.0
  Sm  Sm4  1  0.463  0.686  0.600  1.0
  Sm  Sm5  1  0.688  0.819  0.122  1.0
  Sm  Sm6  1  0.537  0.314  0.100  1.0
  Sm  Sm7  1  0.963  0.814  0.900  1.0
  Sm  Sm8  1  0.639  0.990  0.750  1.0
  Sm  Sm9  1  0.361  0.010  0.250  1.0
  Sm  Sm10  1  0.537  0.314  0.400  1.0
  Sm  Sm11  1  0.037  0.186  0.100  1.0
  Sm  Sm12  1  0.963  0.814  0.600  1.0
  Sm  Sm13  1  0.188  0.681  0.122  1.0
  Sm  Sm14  1  0.688  0.819  0.378  1.0
  Sm  Sm15  1  0.312  0.181  0.622  1.0
  Sm  Sm16  1  0.463  0.686  0.900  1.0
  Sm  Sm17  1  0.037  0.186  0.400  1.0
  Sm  Sm18  1  0.188  0.681  0.378  1.0
  Sm  Sm19  1  0.812  0.319  0.878  1.0
  Si  Si20  1  0.518  0.403  0.750  1.0
  Si  Si21  1  0.136  0.475  0.959  1.0
  Si  Si22  1  0.636  0.025  0.959  1.0
  Si  Si23  1  0.250  0.877  0.750  1.0
  Si  Si24  1  0.250  0.377  0.250  1.0
  Si  Si25  1  0.864  0.525  0.041  1.0
  Si  Si26  1  0.750  0.123  0.250  1.0
  Si  Si27  1  0.482  0.597  0.250  1.0
  Si  Si28  1  0.364  0.975  0.041  1.0
  Si  Si29  1  0.982  0.903  0.250  1.0
  Si  Si30  1  0.864  0.525  0.459  1.0
  Si  Si31  1  0.364  0.975  0.459  1.0
  Si  Si32  1  0.750  0.623  0.750  1.0
  Si  Si33  1  0.136  0.475  0.541  1.0
  Si  Si34  1  0.018  0.097  0.750  1.0
  Si  Si35  1  0.636  0.025  0.541  1.0
[/CIF]
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