The crystal structure described by SmAl crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Sm(1), four equivalent Sm(2), and two equivalent Al(1) atoms. In the second Al site, Al(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), two equivalent Al(1), and two equivalent Al(2) atoms to form a mixture of distorted edge, face, and corner-sharing AlSm8Al4 cuboctahedra. is represented by the CIF card [CIF]
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   11.642
_cell_length_c   5.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   391.295
_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
  Sm  Sm0  1  0.165  0.012  0.250  1.0
  Sm  Sm1  1  0.407  0.334  0.250  1.0
  Sm  Sm2  1  0.835  0.512  0.250  1.0
  Sm  Sm3  1  0.593  0.834  0.250  1.0
  Sm  Sm4  1  0.407  0.166  0.750  1.0
  Sm  Sm5  1  0.165  0.488  0.750  1.0
  Sm  Sm6  1  0.593  0.666  0.750  1.0
  Sm  Sm7  1  0.835  0.988  0.750  1.0
  Al  Al8  1  0.931  0.250  1.000  1.0
  Al  Al9  1  0.069  0.750  1.000  1.0
  Al  Al10  1  0.668  0.101  0.250  1.0
  Al  Al11  1  0.332  0.601  0.250  1.0
  Al  Al12  1  0.931  0.250  0.500  1.0
  Al  Al13  1  0.069  0.750  0.500  1.0
  Al  Al14  1  0.668  0.399  0.750  1.0
  Al  Al15  1  0.332  0.899  0.750  1.0
[/CIF]
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The crystal structure described by SmAl crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the second Sm site, Sm(2) is bonded in a 6-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Sm(1), four equivalent Sm(2), and two equivalent Al(1) atoms. In the second Al site, Al(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), two equivalent Al(1), and two equivalent Al(2) atoms to form a mixture of distorted edge, face, and corner-sharing AlSm8Al4 cuboctahedra. is represented by the CIF card [CIF]
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   11.642
_cell_length_c   5.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   391.295
_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
  Sm  Sm0  1  0.165  0.012  0.250  1.0
  Sm  Sm1  1  0.407  0.334  0.250  1.0
  Sm  Sm2  1  0.835  0.512  0.250  1.0
  Sm  Sm3  1  0.593  0.834  0.250  1.0
  Sm  Sm4  1  0.407  0.166  0.750  1.0
  Sm  Sm5  1  0.165  0.488  0.750  1.0
  Sm  Sm6  1  0.593  0.666  0.750  1.0
  Sm  Sm7  1  0.835  0.988  0.750  1.0
  Al  Al8  1  0.931  0.250  1.000  1.0
  Al  Al9  1  0.069  0.750  1.000  1.0
  Al  Al10  1  0.668  0.101  0.250  1.0
  Al  Al11  1  0.332  0.601  0.250  1.0
  Al  Al12  1  0.931  0.250  0.500  1.0
  Al  Al13  1  0.069  0.750  0.500  1.0
  Al  Al14  1  0.668  0.399  0.750  1.0
  Al  Al15  1  0.332  0.899  0.750  1.0
[/CIF]
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