The material structure described by WB4 crystallizes in the tetragonal P4/mbm space group. W(1) is bonded in a 13-coordinate geometry to one W(1), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to four equivalent W(1), one B(1), and four equivalent B(3) atoms. In the second B site, B(3) is bonded in a 7-coordinate geometry to two equivalent W(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(2) is bonded in a 7-coordinate geometry to four equivalent W(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_B4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   6.976
_cell_length_c   6.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.075
_cell_formula_units_Z   4
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
  B  B0  1  0.800  0.500  0.500  1.0
  B  B1  1  0.800  0.000  0.000  1.0
  B  B2  1  0.200  0.500  0.500  1.0
  B  B3  1  0.200  0.000  0.000  1.0
  B  B4  1  0.500  0.912  0.412  1.0
  B  B5  1  0.500  0.088  0.588  1.0
  B  B6  1  0.500  0.588  0.912  1.0
  B  B7  1  0.500  0.412  0.088  1.0
  B  B8  1  0.500  0.524  0.682  1.0
  B  B9  1  0.500  0.476  0.318  1.0
  B  B10  1  0.500  0.976  0.182  1.0
  B  B11  1  0.500  0.024  0.818  1.0
  B  B12  1  0.500  0.682  0.476  1.0
  B  B13  1  0.500  0.318  0.524  1.0
  B  B14  1  0.500  0.182  0.024  1.0
  B  B15  1  0.500  0.818  0.976  1.0
  W  W16  1  0.000  0.380  0.880  1.0
  W  W17  1  0.000  0.620  0.120  1.0
  W  W18  1  0.000  0.120  0.380  1.0
  W  W19  1  0.000  0.880  0.620  1.0
[/CIF]
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The material structure described by WB4 crystallizes in the tetragonal P4/mbm space group. W(1) is bonded in a 13-coordinate geometry to one W(1), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to four equivalent W(1), one B(1), and four equivalent B(3) atoms. In the second B site, B(3) is bonded in a 7-coordinate geometry to two equivalent W(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(2) is bonded in a 7-coordinate geometry to four equivalent W(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_B4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   6.976
_cell_length_c   6.976
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.075
_cell_formula_units_Z   4
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
  B  B0  1  0.800  0.500  0.500  1.0
  B  B1  1  0.800  0.000  0.000  1.0
  B  B2  1  0.200  0.500  0.500  1.0
  B  B3  1  0.200  0.000  0.000  1.0
  B  B4  1  0.500  0.912  0.412  1.0
  B  B5  1  0.500  0.088  0.588  1.0
  B  B6  1  0.500  0.588  0.912  1.0
  B  B7  1  0.500  0.412  0.088  1.0
  B  B8  1  0.500  0.524  0.682  1.0
  B  B9  1  0.500  0.476  0.318  1.0
  B  B10  1  0.500  0.976  0.182  1.0
  B  B11  1  0.500  0.024  0.818  1.0
  B  B12  1  0.500  0.682  0.476  1.0
  B  B13  1  0.500  0.318  0.524  1.0
  B  B14  1  0.500  0.182  0.024  1.0
  B  B15  1  0.500  0.818  0.976  1.0
  W  W16  1  0.000  0.380  0.880  1.0
  W  W17  1  0.000  0.620  0.120  1.0
  W  W18  1  0.000  0.120  0.380  1.0
  W  W19  1  0.000  0.880  0.620  1.0
[/CIF]
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