The material structure described by Hg(B)6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure consists of one 7439-97-6 atom inside a B framework. In the B framework, B(1) is bonded in a 5-coordinate geometry to five equivalent B(1) atoms. is represented by the CIF card [CIF]
data_HgB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.193
_cell_length_b   4.193
_cell_length_c   4.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   73.723
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.200  0.500  0.500  1.0
  B  B2  1  0.500  0.500  0.800  1.0
  B  B3  1  0.500  0.500  0.200  1.0
  B  B4  1  0.500  0.200  0.500  1.0
  B  B5  1  0.500  0.800  0.500  1.0
  B  B6  1  0.800  0.500  0.500  1.0
[/CIF]
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The material structure described by Hg(B)6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure consists of one 7439-97-6 atom inside a B framework. In the B framework, B(1) is bonded in a 5-coordinate geometry to five equivalent B(1) atoms. is represented by the CIF card [CIF]
data_HgB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.193
_cell_length_b   4.193
_cell_length_c   4.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   73.723
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.200  0.500  0.500  1.0
  B  B2  1  0.500  0.500  0.800  1.0
  B  B3  1  0.500  0.500  0.200  1.0
  B  B4  1  0.500  0.200  0.500  1.0
  B  B5  1  0.500  0.800  0.500  1.0
  B  B6  1  0.800  0.500  0.500  1.0
[/CIF]
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