The crystal structure described by Zr9W4B crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one W(1), one W(3), two equivalent W(2), and one B(1) atom. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one Zr(2), two equivalent Zr(4), two equivalent W(2), and one B(1) atom. In the third Zr site, Zr(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth Zr site, Zr(4) is bonded in a distorted linear geometry to four equivalent Zr(2), one W(1), and one W(2) atom. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(4), two equivalent W(2), and two equivalent W(3) atoms. In the second W site, W(2) is bonded in a 10-coordinate geometry to one Zr(4), two equivalent Zr(1), four equivalent Zr(2), one W(1), and two equivalent W(3) atoms. In the third W site, W(3) is bonded in a distorted linear geometry to two equivalent Zr(1), two equivalent W(1), and four equivalent W(2) atoms. B(1) is bonded in a 7-coordinate geometry to one Zr(3), two equivalent Zr(1), and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr9BW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.663
_cell_length_b   8.663
_cell_length_c   8.663
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   650.127
_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
  B  B0  1  0.667  0.250  0.667  1.0
  B  B1  1  0.333  0.750  0.333  1.0
  W  W2  1  0.109  0.250  0.109  1.0
  W  W3  1  0.109  0.250  0.781  1.0
  W  W4  1  0.781  0.250  0.109  1.0
  W  W5  1  0.891  0.750  0.891  1.0
  W  W6  1  0.891  0.750  0.219  1.0
  W  W7  1  0.219  0.750  0.891  1.0
  W  W8  1  1.000  0.500  0.000  1.0
  W  W9  1  0.000  0.000  0.000  1.0
  Zr  Zr10  1  0.797  0.445  0.797  1.0
  Zr  Zr11  1  0.797  0.445  0.406  1.0
  Zr  Zr12  1  0.406  0.445  0.797  1.0
  Zr  Zr13  1  0.203  0.555  0.203  1.0
  Zr  Zr14  1  0.203  0.555  0.594  1.0
  Zr  Zr15  1  0.594  0.555  0.203  1.0
  Zr  Zr16  1  0.203  0.945  0.203  1.0
  Zr  Zr17  1  0.203  0.945  0.594  1.0
  Zr  Zr18  1  0.594  0.945  0.203  1.0
  Zr  Zr19  1  0.797  0.055  0.797  1.0
  Zr  Zr20  1  0.797  0.055  0.406  1.0
  Zr  Zr21  1  0.406  0.055  0.797  1.0
  Zr  Zr22  1  0.462  0.250  0.462  1.0
  Zr  Zr23  1  0.462  0.250  0.076  1.0
  Zr  Zr24  1  0.076  0.250  0.462  1.0
  Zr  Zr25  1  0.538  0.750  0.538  1.0
  Zr  Zr26  1  0.538  0.750  0.924  1.0
  Zr  Zr27  1  0.924  0.750  0.538  1.0
[/CIF]
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The crystal structure described by Zr9W4B crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one W(1), one W(3), two equivalent W(2), and one B(1) atom. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one Zr(2), two equivalent Zr(4), two equivalent W(2), and one B(1) atom. In the third Zr site, Zr(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth Zr site, Zr(4) is bonded in a distorted linear geometry to four equivalent Zr(2), one W(1), and one W(2) atom. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(4), two equivalent W(2), and two equivalent W(3) atoms. In the second W site, W(2) is bonded in a 10-coordinate geometry to one Zr(4), two equivalent Zr(1), four equivalent Zr(2), one W(1), and two equivalent W(3) atoms. In the third W site, W(3) is bonded in a distorted linear geometry to two equivalent Zr(1), two equivalent W(1), and four equivalent W(2) atoms. B(1) is bonded in a 7-coordinate geometry to one Zr(3), two equivalent Zr(1), and four equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr9BW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.663
_cell_length_b   8.663
_cell_length_c   8.663
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   650.127
_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
  B  B0  1  0.667  0.250  0.667  1.0
  B  B1  1  0.333  0.750  0.333  1.0
  W  W2  1  0.109  0.250  0.109  1.0
  W  W3  1  0.109  0.250  0.781  1.0
  W  W4  1  0.781  0.250  0.109  1.0
  W  W5  1  0.891  0.750  0.891  1.0
  W  W6  1  0.891  0.750  0.219  1.0
  W  W7  1  0.219  0.750  0.891  1.0
  W  W8  1  1.000  0.500  0.000  1.0
  W  W9  1  0.000  0.000  0.000  1.0
  Zr  Zr10  1  0.797  0.445  0.797  1.0
  Zr  Zr11  1  0.797  0.445  0.406  1.0
  Zr  Zr12  1  0.406  0.445  0.797  1.0
  Zr  Zr13  1  0.203  0.555  0.203  1.0
  Zr  Zr14  1  0.203  0.555  0.594  1.0
  Zr  Zr15  1  0.594  0.555  0.203  1.0
  Zr  Zr16  1  0.203  0.945  0.203  1.0
  Zr  Zr17  1  0.203  0.945  0.594  1.0
  Zr  Zr18  1  0.594  0.945  0.203  1.0
  Zr  Zr19  1  0.797  0.055  0.797  1.0
  Zr  Zr20  1  0.797  0.055  0.406  1.0
  Zr  Zr21  1  0.406  0.055  0.797  1.0
  Zr  Zr22  1  0.462  0.250  0.462  1.0
  Zr  Zr23  1  0.462  0.250  0.076  1.0
  Zr  Zr24  1  0.076  0.250  0.462  1.0
  Zr  Zr25  1  0.538  0.750  0.538  1.0
  Zr  Zr26  1  0.538  0.750  0.924  1.0
  Zr  Zr27  1  0.924  0.750  0.538  1.0
[/CIF]
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