The compound described by ZrBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight zirconium tetrabromide molecules. Zr(1) is bonded in a tetrahedral geometry to one Br(2) and three equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.791
_cell_length_b   11.791
_cell_length_c   11.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1639.173
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.129  0.129  0.129  1.0
  Zr  Zr1  1  0.871  0.871  0.871  1.0
  Zr  Zr2  1  0.371  0.871  0.629  1.0
  Zr  Zr3  1  0.871  0.629  0.371  1.0
  Zr  Zr4  1  0.629  0.129  0.371  1.0
  Zr  Zr5  1  0.129  0.371  0.629  1.0
  Zr  Zr6  1  0.629  0.371  0.871  1.0
  Zr  Zr7  1  0.371  0.629  0.129  1.0
  Br  Br8  1  0.991  0.505  0.251  1.0
  Br  Br9  1  0.009  0.495  0.749  1.0
  Br  Br10  1  0.509  0.495  0.751  1.0
  Br  Br11  1  0.009  0.005  0.249  1.0
  Br  Br12  1  0.251  0.991  0.505  1.0
  Br  Br13  1  0.491  0.505  0.249  1.0
  Br  Br14  1  0.991  0.995  0.751  1.0
  Br  Br15  1  0.749  0.009  0.495  1.0
  Br  Br16  1  0.491  0.995  0.749  1.0
  Br  Br17  1  0.751  0.509  0.495  1.0
  Br  Br18  1  0.509  0.005  0.251  1.0
  Br  Br19  1  0.249  0.491  0.505  1.0
  Br  Br20  1  0.249  0.009  0.005  1.0
  Br  Br21  1  0.751  0.991  0.995  1.0
  Br  Br22  1  0.749  0.491  0.995  1.0
  Br  Br23  1  0.251  0.509  0.005  1.0
  Br  Br24  1  0.505  0.251  0.991  1.0
  Br  Br25  1  0.495  0.749  0.009  1.0
  Br  Br26  1  0.005  0.249  0.009  1.0
  Br  Br27  1  0.995  0.751  0.991  1.0
  Br  Br28  1  0.995  0.749  0.491  1.0
  Br  Br29  1  0.005  0.251  0.509  1.0
  Br  Br30  1  0.495  0.751  0.509  1.0
  Br  Br31  1  0.505  0.249  0.491  1.0
  Br  Br32  1  0.250  0.250  0.250  1.0
  Br  Br33  1  0.750  0.750  0.750  1.0
  Br  Br34  1  0.250  0.750  0.750  1.0
  Br  Br35  1  0.750  0.750  0.250  1.0
  Br  Br36  1  0.750  0.250  0.250  1.0
  Br  Br37  1  0.250  0.250  0.750  1.0
  Br  Br38  1  0.750  0.250  0.750  1.0
  Br  Br39  1  0.250  0.750  0.250  1.0
[/CIF]
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The compound described by ZrBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight zirconium tetrabromide molecules. Zr(1) is bonded in a tetrahedral geometry to one Br(2) and three equivalent Br(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.791
_cell_length_b   11.791
_cell_length_c   11.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1639.173
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.129  0.129  0.129  1.0
  Zr  Zr1  1  0.871  0.871  0.871  1.0
  Zr  Zr2  1  0.371  0.871  0.629  1.0
  Zr  Zr3  1  0.871  0.629  0.371  1.0
  Zr  Zr4  1  0.629  0.129  0.371  1.0
  Zr  Zr5  1  0.129  0.371  0.629  1.0
  Zr  Zr6  1  0.629  0.371  0.871  1.0
  Zr  Zr7  1  0.371  0.629  0.129  1.0
  Br  Br8  1  0.991  0.505  0.251  1.0
  Br  Br9  1  0.009  0.495  0.749  1.0
  Br  Br10  1  0.509  0.495  0.751  1.0
  Br  Br11  1  0.009  0.005  0.249  1.0
  Br  Br12  1  0.251  0.991  0.505  1.0
  Br  Br13  1  0.491  0.505  0.249  1.0
  Br  Br14  1  0.991  0.995  0.751  1.0
  Br  Br15  1  0.749  0.009  0.495  1.0
  Br  Br16  1  0.491  0.995  0.749  1.0
  Br  Br17  1  0.751  0.509  0.495  1.0
  Br  Br18  1  0.509  0.005  0.251  1.0
  Br  Br19  1  0.249  0.491  0.505  1.0
  Br  Br20  1  0.249  0.009  0.005  1.0
  Br  Br21  1  0.751  0.991  0.995  1.0
  Br  Br22  1  0.749  0.491  0.995  1.0
  Br  Br23  1  0.251  0.509  0.005  1.0
  Br  Br24  1  0.505  0.251  0.991  1.0
  Br  Br25  1  0.495  0.749  0.009  1.0
  Br  Br26  1  0.005  0.249  0.009  1.0
  Br  Br27  1  0.995  0.751  0.991  1.0
  Br  Br28  1  0.995  0.749  0.491  1.0
  Br  Br29  1  0.005  0.251  0.509  1.0
  Br  Br30  1  0.495  0.751  0.509  1.0
  Br  Br31  1  0.505  0.249  0.491  1.0
  Br  Br32  1  0.250  0.250  0.250  1.0
  Br  Br33  1  0.750  0.750  0.750  1.0
  Br  Br34  1  0.250  0.750  0.750  1.0
  Br  Br35  1  0.750  0.750  0.250  1.0
  Br  Br36  1  0.750  0.250  0.250  1.0
  Br  Br37  1  0.250  0.250  0.750  1.0
  Br  Br38  1  0.750  0.250  0.750  1.0
  Br  Br39  1  0.250  0.750  0.250  1.0
[/CIF]
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