The crystal structure described by Tm2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Tm(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), four equivalent B(2), and eight equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tm(1), four equivalent Ni(2), and four equivalent B(1) atoms to form distorted NiTm4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(2)Tm4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Tm4Ni4B4 cuboctahedra, and faces with four equivalent Ni(2)Tm4Ni2B6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tm(1), two equivalent Ni(1), two equivalent B(2), and four equivalent B(1) atoms to form distorted NiTm4Ni2B6 cuboctahedra that share corners with four equivalent Ni(1)Tm4Ni4B4 cuboctahedra, corners with six equivalent Ni(2)Tm4Ni2B6 cuboctahedra, edges with three equivalent Ni(2)Tm4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Tm4Ni4B4 cuboctahedra, and faces with three equivalent Ni(2)Tm4Ni2B6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), one Ni(1), two equivalent Ni(2), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Ni(2), one B(2), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2(NiB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.452
_cell_length_b   5.773
_cell_length_c   5.773
_cell_angle_alpha   96.638
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.271
_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
  Tm  Tm0  1  0.000  0.277  0.723  1.0
  Tm  Tm1  1  0.000  0.723  0.277  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.773  0.773  1.0
  Ni  Ni4  1  0.000  0.227  0.227  1.0
  B  B5  1  0.500  0.916  0.615  1.0
  B  B6  1  0.500  0.084  0.385  1.0
  B  B7  1  0.500  0.615  0.916  1.0
  B  B8  1  0.500  0.385  0.084  1.0
  B  B9  1  0.500  0.613  0.613  1.0
  B  B10  1  0.500  0.387  0.387  1.0
[/CIF]
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The crystal structure described by Tm2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Tm(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), four equivalent B(2), and eight equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tm(1), four equivalent Ni(2), and four equivalent B(1) atoms to form distorted NiTm4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(2)Tm4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Tm4Ni4B4 cuboctahedra, and faces with four equivalent Ni(2)Tm4Ni2B6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tm(1), two equivalent Ni(1), two equivalent B(2), and four equivalent B(1) atoms to form distorted NiTm4Ni2B6 cuboctahedra that share corners with four equivalent Ni(1)Tm4Ni4B4 cuboctahedra, corners with six equivalent Ni(2)Tm4Ni2B6 cuboctahedra, edges with three equivalent Ni(2)Tm4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Tm4Ni4B4 cuboctahedra, and faces with three equivalent Ni(2)Tm4Ni2B6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1), one Ni(1), two equivalent Ni(2), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Tm(1), two equivalent Ni(2), one B(2), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2(NiB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.452
_cell_length_b   5.773
_cell_length_c   5.773
_cell_angle_alpha   96.638
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.271
_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
  Tm  Tm0  1  0.000  0.277  0.723  1.0
  Tm  Tm1  1  0.000  0.723  0.277  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.773  0.773  1.0
  Ni  Ni4  1  0.000  0.227  0.227  1.0
  B  B5  1  0.500  0.916  0.615  1.0
  B  B6  1  0.500  0.084  0.385  1.0
  B  B7  1  0.500  0.615  0.916  1.0
  B  B8  1  0.500  0.385  0.084  1.0
  B  B9  1  0.500  0.613  0.613  1.0
  B  B10  1  0.500  0.387  0.387  1.0
[/CIF]
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