The compound described by TaCoB crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Co(2), three equivalent Co(1), two equivalent B(2), and three equivalent B(1) atoms. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to two equivalent Co(2), two equivalent Co(3), three equivalent Co(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Co(3), four equivalent Co(2), one B(3), and four equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), two equivalent Co(1), one B(2), and three equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Co(2), one Co(3), one B(1), one B(2), and two equivalent B(3) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Ta(3), four equivalent Ta(2), two equivalent Co(2), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), three equivalent Ta(1), one Co(2), and three equivalent Co(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Co(1), one Co(2), and one Co(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Ta(3), two equivalent Ta(2), two equivalent Co(3), and four equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_TaCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.283
_cell_length_b   5.891
_cell_length_c   16.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.370
_cell_formula_units_Z   10
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
  Ta  Ta0  1  0.000  0.472  0.321  1.0
  Ta  Ta1  1  0.000  0.472  0.679  1.0
  Ta  Ta2  1  0.500  0.528  0.179  1.0
  Ta  Ta3  1  0.500  0.528  0.821  1.0
  Ta  Ta4  1  0.000  0.978  0.375  1.0
  Ta  Ta5  1  0.000  0.978  0.625  1.0
  Ta  Ta6  1  0.500  0.022  0.125  1.0
  Ta  Ta7  1  0.500  0.022  0.875  1.0
  Ta  Ta8  1  0.000  0.356  0.500  1.0
  Ta  Ta9  1  0.500  0.644  0.000  1.0
  Co  Co10  1  0.000  0.855  0.226  1.0
  Co  Co11  1  0.000  0.855  0.774  1.0
  Co  Co12  1  0.500  0.145  0.274  1.0
  Co  Co13  1  0.500  0.145  0.726  1.0
  Co  Co14  1  0.000  0.350  0.071  1.0
  Co  Co15  1  0.000  0.350  0.929  1.0
  Co  Co16  1  0.500  0.650  0.429  1.0
  Co  Co17  1  0.500  0.650  0.571  1.0
  Co  Co18  1  0.000  0.994  0.000  1.0
  Co  Co19  1  0.500  0.006  0.500  1.0
  B  B20  1  0.000  0.232  0.201  1.0
  B  B21  1  0.000  0.232  0.799  1.0
  B  B22  1  0.500  0.768  0.299  1.0
  B  B23  1  0.500  0.768  0.701  1.0
  B  B24  1  0.000  0.729  0.100  1.0
  B  B25  1  0.000  0.729  0.900  1.0
  B  B26  1  0.500  0.271  0.400  1.0
  B  B27  1  0.500  0.271  0.600  1.0
  B  B28  1  0.000  0.769  0.500  1.0
  B  B29  1  0.500  0.231  0.000  1.0
[/CIF]
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The compound described by TaCoB crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Co(2), three equivalent Co(1), two equivalent B(2), and three equivalent B(1) atoms. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to two equivalent Co(2), two equivalent Co(3), three equivalent Co(1), one B(3), two equivalent B(1), and two equivalent B(2) atoms. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Co(3), four equivalent Co(2), one B(3), and four equivalent B(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), two equivalent Co(1), one B(2), and three equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Co(2), one Co(3), one B(1), one B(2), and two equivalent B(3) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Ta(3), four equivalent Ta(2), two equivalent Co(2), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(2), three equivalent Ta(1), one Co(2), and three equivalent Co(1) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Co(1), one Co(2), and one Co(3) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Ta(3), two equivalent Ta(2), two equivalent Co(3), and four equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_TaCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.283
_cell_length_b   5.891
_cell_length_c   16.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.370
_cell_formula_units_Z   10
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
  Ta  Ta0  1  0.000  0.472  0.321  1.0
  Ta  Ta1  1  0.000  0.472  0.679  1.0
  Ta  Ta2  1  0.500  0.528  0.179  1.0
  Ta  Ta3  1  0.500  0.528  0.821  1.0
  Ta  Ta4  1  0.000  0.978  0.375  1.0
  Ta  Ta5  1  0.000  0.978  0.625  1.0
  Ta  Ta6  1  0.500  0.022  0.125  1.0
  Ta  Ta7  1  0.500  0.022  0.875  1.0
  Ta  Ta8  1  0.000  0.356  0.500  1.0
  Ta  Ta9  1  0.500  0.644  0.000  1.0
  Co  Co10  1  0.000  0.855  0.226  1.0
  Co  Co11  1  0.000  0.855  0.774  1.0
  Co  Co12  1  0.500  0.145  0.274  1.0
  Co  Co13  1  0.500  0.145  0.726  1.0
  Co  Co14  1  0.000  0.350  0.071  1.0
  Co  Co15  1  0.000  0.350  0.929  1.0
  Co  Co16  1  0.500  0.650  0.429  1.0
  Co  Co17  1  0.500  0.650  0.571  1.0
  Co  Co18  1  0.000  0.994  0.000  1.0
  Co  Co19  1  0.500  0.006  0.500  1.0
  B  B20  1  0.000  0.232  0.201  1.0
  B  B21  1  0.000  0.232  0.799  1.0
  B  B22  1  0.500  0.768  0.299  1.0
  B  B23  1  0.500  0.768  0.701  1.0
  B  B24  1  0.000  0.729  0.100  1.0
  B  B25  1  0.000  0.729  0.900  1.0
  B  B26  1  0.500  0.271  0.400  1.0
  B  B27  1  0.500  0.271  0.600  1.0
  B  B28  1  0.000  0.769  0.500  1.0
  B  B29  1  0.500  0.231  0.000  1.0
[/CIF]
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