The structure described by Sm3Ni7B2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted trigonal planar geometry to three equivalent Sm(3) and three equivalent Ni(3) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. In the third Sm site, Sm(3) is bonded in a 12-coordinate geometry to three equivalent Sm(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Sm(3), two equivalent Sm(2), one Ni(3), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Sm(3), two equivalent Sm(2), one Ni(3), one B(1), and one B(2) atom. In the third Ni site, Ni(3) is bonded to three equivalent Sm(1), three equivalent Sm(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form edge-sharing NiSm6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Sm3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.246
_cell_length_c   7.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.891
_symmetry_Int_Tables_number   1
_cell_volume   171.473
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  1.000  1.000  0.500  1.0
  Sm  Sm2  1  0.333  0.666  0.000  1.0
  Ni  Ni3  1  0.505  0.010  0.311  1.0
  Ni  Ni4  1  0.505  0.495  0.311  1.0
  Ni  Ni5  1  0.990  0.495  0.311  1.0
  Ni  Ni6  1  0.505  0.010  0.689  1.0
  Ni  Ni7  1  0.505  0.495  0.689  1.0
  Ni  Ni8  1  0.990  0.495  0.689  1.0
  Ni  Ni9  1  0.667  0.333  0.000  1.0
  B  B10  1  0.333  0.667  0.500  1.0
  B  B11  1  0.667  0.333  0.500  1.0
[/CIF]
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The structure described by Sm3Ni7B2 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted trigonal planar geometry to three equivalent Sm(3) and three equivalent Ni(3) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. In the third Sm site, Sm(3) is bonded in a 12-coordinate geometry to three equivalent Sm(1), two equivalent Ni(2), three equivalent Ni(3), and four equivalent Ni(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Sm(3), two equivalent Sm(2), one Ni(3), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Sm(3), two equivalent Sm(2), one Ni(3), one B(1), and one B(2) atom. In the third Ni site, Ni(3) is bonded to three equivalent Sm(1), three equivalent Sm(3), two equivalent Ni(2), and four equivalent Ni(1) atoms to form edge-sharing NiSm6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Ni(2), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Sm3Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.246
_cell_length_c   7.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.891
_symmetry_Int_Tables_number   1
_cell_volume   171.473
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  1.000  1.000  0.500  1.0
  Sm  Sm2  1  0.333  0.666  0.000  1.0
  Ni  Ni3  1  0.505  0.010  0.311  1.0
  Ni  Ni4  1  0.505  0.495  0.311  1.0
  Ni  Ni5  1  0.990  0.495  0.311  1.0
  Ni  Ni6  1  0.505  0.010  0.689  1.0
  Ni  Ni7  1  0.505  0.495  0.689  1.0
  Ni  Ni8  1  0.990  0.495  0.689  1.0
  Ni  Ni9  1  0.667  0.333  0.000  1.0
  B  B10  1  0.333  0.667  0.500  1.0
  B  B11  1  0.667  0.333  0.500  1.0
[/CIF]
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