The compound described by Ta3Co5B2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), eight equivalent Co(2), and three equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Ta(2), four equivalent Co(2), and four equivalent B(1) atoms to form distorted face-sharing CoTa4Co4B4 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), one Co(1), three equivalent Co(2), and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Ta(2), two equivalent Co(1), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Co5B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   3.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.062
_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
  Ta  Ta0  1  0.500  0.500  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.825  0.325  0.000  1.0
  Ta  Ta3  1  0.175  0.675  0.000  1.0
  Ta  Ta4  1  0.325  0.175  0.000  1.0
  Ta  Ta5  1  0.675  0.825  0.000  1.0
  Co  Co6  1  0.500  0.000  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.720  0.570  0.500  1.0
  Co  Co9  1  0.280  0.430  0.500  1.0
  Co  Co10  1  0.220  0.930  0.500  1.0
  Co  Co11  1  0.780  0.070  0.500  1.0
  Co  Co12  1  0.430  0.720  0.500  1.0
  Co  Co13  1  0.570  0.280  0.500  1.0
  Co  Co14  1  0.070  0.220  0.500  1.0
  Co  Co15  1  0.930  0.780  0.500  1.0
  B  B16  1  0.618  0.118  0.000  1.0
  B  B17  1  0.382  0.882  0.000  1.0
  B  B18  1  0.118  0.382  0.000  1.0
  B  B19  1  0.882  0.618  0.000  1.0
[/CIF]
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The compound described by Ta3Co5B2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent Co(2) atoms. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), eight equivalent Co(2), and three equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Ta(2), four equivalent Co(2), and four equivalent B(1) atoms to form distorted face-sharing CoTa4Co4B4 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), one Co(1), three equivalent Co(2), and two equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Ta(2), two equivalent Co(1), and four equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3Co5B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   3.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.062
_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
  Ta  Ta0  1  0.500  0.500  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.825  0.325  0.000  1.0
  Ta  Ta3  1  0.175  0.675  0.000  1.0
  Ta  Ta4  1  0.325  0.175  0.000  1.0
  Ta  Ta5  1  0.675  0.825  0.000  1.0
  Co  Co6  1  0.500  0.000  0.500  1.0
  Co  Co7  1  0.000  0.500  0.500  1.0
  Co  Co8  1  0.720  0.570  0.500  1.0
  Co  Co9  1  0.280  0.430  0.500  1.0
  Co  Co10  1  0.220  0.930  0.500  1.0
  Co  Co11  1  0.780  0.070  0.500  1.0
  Co  Co12  1  0.430  0.720  0.500  1.0
  Co  Co13  1  0.570  0.280  0.500  1.0
  Co  Co14  1  0.070  0.220  0.500  1.0
  Co  Co15  1  0.930  0.780  0.500  1.0
  B  B16  1  0.618  0.118  0.000  1.0
  B  B17  1  0.382  0.882  0.000  1.0
  B  B18  1  0.118  0.382  0.000  1.0
  B  B19  1  0.882  0.618  0.000  1.0
[/CIF]
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