The compound described by SmZn3 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 14-coordinate geometry to four equivalent Zn(3), five equivalent Zn(1), and five equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 10-coordinate geometry to five equivalent Sm(1), two equivalent Zn(1), and three equivalent Zn(3) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to five equivalent Sm(1), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four equivalent Sm(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.437
_cell_length_b   6.702
_cell_length_c   10.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.958
_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  0.250  0.282  0.658  1.0
  Sm  Sm1  1  0.250  0.782  0.842  1.0
  Sm  Sm2  1  0.750  0.718  0.342  1.0
  Sm  Sm3  1  0.750  0.218  0.158  1.0
  Zn  Zn4  1  0.250  0.534  0.106  1.0
  Zn  Zn5  1  0.250  0.034  0.394  1.0
  Zn  Zn6  1  0.750  0.466  0.894  1.0
  Zn  Zn7  1  0.750  0.966  0.606  1.0
  Zn  Zn8  1  0.250  0.911  0.147  1.0
  Zn  Zn9  1  0.250  0.411  0.353  1.0
  Zn  Zn10  1  0.750  0.089  0.852  1.0
  Zn  Zn11  1  0.750  0.589  0.648  1.0
  Zn  Zn12  1  0.250  0.222  0.954  1.0
  Zn  Zn13  1  0.250  0.722  0.546  1.0
  Zn  Zn14  1  0.750  0.778  0.046  1.0
  Zn  Zn15  1  0.750  0.278  0.454  1.0
[/CIF]
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The compound described by SmZn3 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 14-coordinate geometry to four equivalent Zn(3), five equivalent Zn(1), and five equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a 10-coordinate geometry to five equivalent Sm(1), two equivalent Zn(1), and three equivalent Zn(3) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to five equivalent Sm(1), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four equivalent Sm(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.437
_cell_length_b   6.702
_cell_length_c   10.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.958
_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  0.250  0.282  0.658  1.0
  Sm  Sm1  1  0.250  0.782  0.842  1.0
  Sm  Sm2  1  0.750  0.718  0.342  1.0
  Sm  Sm3  1  0.750  0.218  0.158  1.0
  Zn  Zn4  1  0.250  0.534  0.106  1.0
  Zn  Zn5  1  0.250  0.034  0.394  1.0
  Zn  Zn6  1  0.750  0.466  0.894  1.0
  Zn  Zn7  1  0.750  0.966  0.606  1.0
  Zn  Zn8  1  0.250  0.911  0.147  1.0
  Zn  Zn9  1  0.250  0.411  0.353  1.0
  Zn  Zn10  1  0.750  0.089  0.852  1.0
  Zn  Zn11  1  0.750  0.589  0.648  1.0
  Zn  Zn12  1  0.250  0.222  0.954  1.0
  Zn  Zn13  1  0.250  0.722  0.546  1.0
  Zn  Zn14  1  0.750  0.778  0.046  1.0
  Zn  Zn15  1  0.750  0.278  0.454  1.0
[/CIF]
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