The crystal structure described by SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Sm(1) is bonded in a 16-coordinate geometry to four equivalent Sm(1), three equivalent Mn(1), three equivalent Mn(3), and six equivalent Mn(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Sm(1), two equivalent Mn(3), and four equivalent Mn(2) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Sm(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. In the third Mn site, Mn(3) is bonded to six equivalent Sm(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_SmMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   5.180
_cell_length_c   8.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.129
_symmetry_Int_Tables_number   1
_cell_volume   217.892
_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  0.665  0.335  0.564  1.0
  Sm  Sm1  1  0.335  0.665  0.436  1.0
  Sm  Sm2  1  0.335  0.665  0.064  1.0
  Sm  Sm3  1  0.665  0.335  0.936  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.151  0.335  0.750  1.0
  Mn  Mn7  1  0.159  0.841  0.750  1.0
  Mn  Mn8  1  0.665  0.849  0.750  1.0
  Mn  Mn9  1  0.849  0.665  0.250  1.0
  Mn  Mn10  1  0.841  0.159  0.250  1.0
  Mn  Mn11  1  0.335  0.151  0.250  1.0
[/CIF]
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The crystal structure described by SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. Sm(1) is bonded in a 16-coordinate geometry to four equivalent Sm(1), three equivalent Mn(1), three equivalent Mn(3), and six equivalent Mn(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Sm(1), two equivalent Mn(3), and four equivalent Mn(2) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Sm(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Mn(3) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. In the third Mn site, Mn(3) is bonded to six equivalent Sm(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of edge, corner, and face-sharing MnSm6Mn6 cuboctahedra. is represented by the CIF card [CIF]
data_SmMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.180
_cell_length_b   5.180
_cell_length_c   8.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.129
_symmetry_Int_Tables_number   1
_cell_volume   217.892
_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  0.665  0.335  0.564  1.0
  Sm  Sm1  1  0.335  0.665  0.436  1.0
  Sm  Sm2  1  0.335  0.665  0.064  1.0
  Sm  Sm3  1  0.665  0.335  0.936  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.151  0.335  0.750  1.0
  Mn  Mn7  1  0.159  0.841  0.750  1.0
  Mn  Mn8  1  0.665  0.849  0.750  1.0
  Mn  Mn9  1  0.849  0.665  0.250  1.0
  Mn  Mn10  1  0.841  0.159  0.250  1.0
  Mn  Mn11  1  0.335  0.151  0.250  1.0
[/CIF]
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