The crystal structure described by Ta3W3B4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent W(1), four equivalent W(2), one B(1), one B(2), and two equivalent B(3) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to two equivalent B(2) and four equivalent B(3) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), and four equivalent B(3) atoms. In the second W site, W(2) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), 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(1), two equivalent W(1), four equivalent W(2), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), four equivalent W(2), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent W(1), two equivalent W(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3B4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.156
_cell_length_b   6.156
_cell_length_c   3.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.253
_symmetry_Int_Tables_number   1
_cell_volume   122.225
_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
  Ta  Ta0  1  0.497  0.999  0.000  1.0
  Ta  Ta1  1  0.001  0.503  0.000  1.0
  Ta  Ta2  1  0.826  0.174  0.500  1.0
  B  B3  1  0.390  0.610  0.000  1.0
  B  B4  1  0.611  0.389  0.000  1.0
  B  B5  1  0.114  0.112  0.000  1.0
  B  B6  1  0.888  0.886  0.000  1.0
  W  W7  1  0.175  0.825  0.500  1.0
  W  W8  1  0.670  0.672  0.500  1.0
  W  W9  1  0.328  0.330  0.500  1.0
[/CIF]
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The crystal structure described by Ta3W3B4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 10-coordinate geometry to two equivalent W(1), four equivalent W(2), one B(1), one B(2), and two equivalent B(3) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to two equivalent B(2) and four equivalent B(3) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), and four equivalent B(3) atoms. In the second W site, W(2) is bonded in a 10-coordinate geometry to four equivalent Ta(1), two equivalent B(1), 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(1), two equivalent W(1), four equivalent W(2), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), four equivalent W(2), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent W(1), two equivalent W(2), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta3B4W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.156
_cell_length_b   6.156
_cell_length_c   3.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.253
_symmetry_Int_Tables_number   1
_cell_volume   122.225
_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
  Ta  Ta0  1  0.497  0.999  0.000  1.0
  Ta  Ta1  1  0.001  0.503  0.000  1.0
  Ta  Ta2  1  0.826  0.174  0.500  1.0
  B  B3  1  0.390  0.610  0.000  1.0
  B  B4  1  0.611  0.389  0.000  1.0
  B  B5  1  0.114  0.112  0.000  1.0
  B  B6  1  0.888  0.886  0.000  1.0
  W  W7  1  0.175  0.825  0.500  1.0
  W  W8  1  0.670  0.672  0.500  1.0
  W  W9  1  0.328  0.330  0.500  1.0
[/CIF]
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