The compound described by TbAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 16-coordinate geometry to two equivalent B(1), two equivalent B(2), four equivalent B(5), and eight equivalent B(4) atoms. Al(1) is bonded to four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms to form distorted face-sharing AlB12 cuboctahedra. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Tb(1), one B(1), one B(3), two equivalent B(4), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Al(1), one B(2), one B(3), and two equivalent B(5) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Al(1), one B(1), one B(2), two equivalent B(4), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to two equivalent Tb(1), one B(1), one B(3), two equivalent B(4), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to one Tb(1), one Al(1), one B(1), one B(2), one B(3), one B(5), and two equivalent B(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAlB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.301
_cell_length_b   7.301
_cell_length_c   7.301
_cell_angle_alpha   132.220
_cell_angle_beta   111.030
_cell_angle_gamma   88.233
_symmetry_Int_Tables_number   1
_cell_volume   256.306
_cell_formula_units_Z   2
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  0.599  0.250  0.349  1.0
  Tb  Tb1  1  0.401  0.750  0.651  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  B  B4  1  0.634  0.667  0.966  1.0
  B  B5  1  0.366  0.333  0.034  1.0
  B  B6  1  0.201  0.167  0.034  1.0
  B  B7  1  0.799  0.833  0.966  1.0
  B  B8  1  0.770  0.143  0.627  1.0
  B  B9  1  0.230  0.857  0.373  1.0
  B  B10  1  0.017  0.643  0.373  1.0
  B  B11  1  0.983  0.357  0.627  1.0
  B  B12  1  0.924  0.090  0.833  1.0
  B  B13  1  0.076  0.910  0.167  1.0
  B  B14  1  0.757  0.590  0.167  1.0
  B  B15  1  0.243  0.410  0.833  1.0
  B  B16  1  0.398  0.398  0.676  1.0
  B  B17  1  0.602  0.277  1.000  1.0
  B  B18  1  0.222  0.898  1.000  1.0
  B  B19  1  0.778  0.777  0.676  1.0
  B  B20  1  0.602  0.602  0.324  1.0
  B  B21  1  0.398  0.723  0.000  1.0
  B  B22  1  0.778  0.102  0.000  1.0
  B  B23  1  0.222  0.223  0.324  1.0
  B  B24  1  0.031  0.832  0.704  1.0
  B  B25  1  0.969  0.672  0.800  1.0
  B  B26  1  0.628  0.332  0.800  1.0
  B  B27  1  0.372  0.172  0.704  1.0
  B  B28  1  0.969  0.168  0.296  1.0
  B  B29  1  0.031  0.328  0.200  1.0
  B  B30  1  0.372  0.668  0.200  1.0
  B  B31  1  0.628  0.828  0.296  1.0
[/CIF]
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The compound described by TbAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 16-coordinate geometry to two equivalent B(1), two equivalent B(2), four equivalent B(5), and eight equivalent B(4) atoms. Al(1) is bonded to four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms to form distorted face-sharing AlB12 cuboctahedra. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Tb(1), one B(1), one B(3), two equivalent B(4), and two equivalent B(5) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Al(1), one B(2), one B(3), and two equivalent B(5) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Al(1), one B(1), one B(2), two equivalent B(4), and two equivalent B(5) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to two equivalent Tb(1), one B(1), one B(3), two equivalent B(4), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to one Tb(1), one Al(1), one B(1), one B(2), one B(3), one B(5), and two equivalent B(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbAlB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.301
_cell_length_b   7.301
_cell_length_c   7.301
_cell_angle_alpha   132.220
_cell_angle_beta   111.030
_cell_angle_gamma   88.233
_symmetry_Int_Tables_number   1
_cell_volume   256.306
_cell_formula_units_Z   2
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  0.599  0.250  0.349  1.0
  Tb  Tb1  1  0.401  0.750  0.651  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  B  B4  1  0.634  0.667  0.966  1.0
  B  B5  1  0.366  0.333  0.034  1.0
  B  B6  1  0.201  0.167  0.034  1.0
  B  B7  1  0.799  0.833  0.966  1.0
  B  B8  1  0.770  0.143  0.627  1.0
  B  B9  1  0.230  0.857  0.373  1.0
  B  B10  1  0.017  0.643  0.373  1.0
  B  B11  1  0.983  0.357  0.627  1.0
  B  B12  1  0.924  0.090  0.833  1.0
  B  B13  1  0.076  0.910  0.167  1.0
  B  B14  1  0.757  0.590  0.167  1.0
  B  B15  1  0.243  0.410  0.833  1.0
  B  B16  1  0.398  0.398  0.676  1.0
  B  B17  1  0.602  0.277  1.000  1.0
  B  B18  1  0.222  0.898  1.000  1.0
  B  B19  1  0.778  0.777  0.676  1.0
  B  B20  1  0.602  0.602  0.324  1.0
  B  B21  1  0.398  0.723  0.000  1.0
  B  B22  1  0.778  0.102  0.000  1.0
  B  B23  1  0.222  0.223  0.324  1.0
  B  B24  1  0.031  0.832  0.704  1.0
  B  B25  1  0.969  0.672  0.800  1.0
  B  B26  1  0.628  0.332  0.800  1.0
  B  B27  1  0.372  0.172  0.704  1.0
  B  B28  1  0.969  0.168  0.296  1.0
  B  B29  1  0.031  0.328  0.200  1.0
  B  B30  1  0.372  0.668  0.200  1.0
  B  B31  1  0.628  0.828  0.296  1.0
[/CIF]
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