The material described by TbSm(Co2Ni3)2 crystallizes in the orthorhombic Pmmm space group. Tb(1) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Ni(1), and eight equivalent Ni(3) atoms. Sm(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Ni(2), and eight equivalent Ni(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), one Sm(1), two equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Sm(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tb(1), four equivalent Co(1), and four equivalent Ni(3) atoms to form NiTb4Co4Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Sm(1), four equivalent Co(2), and four equivalent Ni(3) atoms to form NiSm4Co4Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Tb(1), two equivalent Sm(1), two equivalent Co(1), two equivalent Co(2), one Ni(1), one Ni(2), and two equivalent Ni(3) atoms to form NiTb2Sm2Co4Ni4 cuboctahedra that share corners with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with twelve equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, edges with six equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, and faces with six equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbSm(Co2Ni3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   4.924
_cell_length_c   8.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.180
_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  0.000  0.500  1.0
  Sm  Sm1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.334  1.0
  Co  Co3  1  0.000  0.000  0.833  1.0
  Co  Co4  1  0.000  0.000  0.167  1.0
  Co  Co5  1  0.000  0.500  0.666  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.750  0.250  1.0
  Ni  Ni9  1  0.500  0.250  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.250  1.0
  Ni  Ni11  1  0.500  0.750  0.750  1.0
[/CIF]
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The material described by TbSm(Co2Ni3)2 crystallizes in the orthorhombic Pmmm space group. Tb(1) is bonded in a 18-coordinate geometry to two equivalent Co(2), four equivalent Co(1), four equivalent Ni(1), and eight equivalent Ni(3) atoms. Sm(1) is bonded in a 18-coordinate geometry to two equivalent Co(1), four equivalent Co(2), four equivalent Ni(2), and eight equivalent Ni(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), one Sm(1), two equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Sm(1), two equivalent Ni(2), and four equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tb(1), four equivalent Co(1), and four equivalent Ni(3) atoms to form NiTb4Co4Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Sm(1), four equivalent Co(2), and four equivalent Ni(3) atoms to form NiSm4Co4Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with four equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, edges with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, and faces with eight equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Tb(1), two equivalent Sm(1), two equivalent Co(1), two equivalent Co(2), one Ni(1), one Ni(2), and two equivalent Ni(3) atoms to form NiTb2Sm2Co4Ni4 cuboctahedra that share corners with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, corners with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, corners with twelve equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, edges with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, edges with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, edges with six equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm4Co4Ni4 cuboctahedra, faces with two equivalent Ni(1)Tb4Co4Ni4 cuboctahedra, and faces with six equivalent Ni(3)Tb2Sm2Co4Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbSm(Co2Ni3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   4.924
_cell_length_c   8.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.180
_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  0.000  0.500  1.0
  Sm  Sm1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.000  0.500  0.334  1.0
  Co  Co3  1  0.000  0.000  0.833  1.0
  Co  Co4  1  0.000  0.000  0.167  1.0
  Co  Co5  1  0.000  0.500  0.666  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.500  0.000  0.000  1.0
  Ni  Ni8  1  0.500  0.750  0.250  1.0
  Ni  Ni9  1  0.500  0.250  0.750  1.0
  Ni  Ni10  1  0.500  0.250  0.250  1.0
  Ni  Ni11  1  0.500  0.750  0.750  1.0
[/CIF]
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