The compound described by Tb3SmNi4 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Ni(1), and four equivalent Ni(4) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to one Ni(4), two equivalent Ni(3), and four equivalent Ni(2) atoms. Sm(1) is bonded in a 7-coordinate geometry to one Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), one Sm(1), and two equivalent Ni(4) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Tb(1), four equivalent Tb(3), two equivalent Sm(1), and two equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(3), four equivalent Sm(1), and two equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Tb(3), two equivalent Tb(2), four equivalent Tb(1), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3SmNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   4.214
_cell_length_c   10.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.576
_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
  Tb  Tb0  1  0.000  0.500  0.860  1.0
  Tb  Tb1  1  0.000  0.000  0.135  1.0
  Tb  Tb2  1  0.500  0.000  0.641  1.0
  Sm  Sm3  1  0.500  0.500  0.361  1.0
  Ni  Ni4  1  0.500  0.500  0.069  1.0
  Ni  Ni5  1  0.000  0.500  0.575  1.0
  Ni  Ni6  1  0.000  0.000  0.431  1.0
  Ni  Ni7  1  0.500  0.000  0.928  1.0
[/CIF]
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The compound described by Tb3SmNi4 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Ni(1), and four equivalent Ni(4) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to one Ni(4), two equivalent Ni(3), and four equivalent Ni(2) atoms. Sm(1) is bonded in a 7-coordinate geometry to one Ni(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), one Sm(1), and two equivalent Ni(4) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Tb(1), four equivalent Tb(3), two equivalent Sm(1), and two equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(3), four equivalent Sm(1), and two equivalent Ni(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Tb(3), two equivalent Tb(2), four equivalent Tb(1), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3SmNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.732
_cell_length_b   4.214
_cell_length_c   10.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.576
_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
  Tb  Tb0  1  0.000  0.500  0.860  1.0
  Tb  Tb1  1  0.000  0.000  0.135  1.0
  Tb  Tb2  1  0.500  0.000  0.641  1.0
  Sm  Sm3  1  0.500  0.500  0.361  1.0
  Ni  Ni4  1  0.500  0.500  0.069  1.0
  Ni  Ni5  1  0.000  0.500  0.575  1.0
  Ni  Ni6  1  0.000  0.000  0.431  1.0
  Ni  Ni7  1  0.500  0.000  0.928  1.0
[/CIF]
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