The material structure described by PuOsB4 crystallizes in the orthorhombic Cmmm space group. Pu(1) is bonded in a 18-coordinate geometry to four equivalent Os(1), two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. Os(1) is bonded in a 15-coordinate geometry to four equivalent Pu(1), one Os(1), two equivalent B(2), four equivalent B(1), and four 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 four equivalent Pu(1), two equivalent Os(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Pu(1), two equivalent Os(1), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Pu(1), four equivalent Os(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_PuB4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   3.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.982
_symmetry_Int_Tables_number   1
_cell_volume   124.183
_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
  Pu  Pu0  1  0.300  0.700  0.000  1.0
  Pu  Pu1  1  0.700  0.300  0.000  1.0
  B  B2  1  0.379  0.063  0.500  1.0
  B  B3  1  0.621  0.937  0.500  1.0
  B  B4  1  0.063  0.379  0.500  1.0
  B  B5  1  0.937  0.621  0.500  1.0
  B  B6  1  0.376  0.376  0.500  1.0
  B  B7  1  0.624  0.624  0.500  1.0
  B  B8  1  0.091  0.909  0.500  1.0
  B  B9  1  0.909  0.091  0.500  1.0
  Os  Os10  1  0.186  0.186  0.000  1.0
  Os  Os11  1  0.814  0.814  0.000  1.0
[/CIF]
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The material structure described by PuOsB4 crystallizes in the orthorhombic Cmmm space group. Pu(1) is bonded in a 18-coordinate geometry to four equivalent Os(1), two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. Os(1) is bonded in a 15-coordinate geometry to four equivalent Pu(1), one Os(1), two equivalent B(2), four equivalent B(1), and four 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 four equivalent Pu(1), two equivalent Os(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Pu(1), two equivalent Os(1), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Pu(1), four equivalent Os(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_PuB4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.007
_cell_length_c   3.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.982
_symmetry_Int_Tables_number   1
_cell_volume   124.183
_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
  Pu  Pu0  1  0.300  0.700  0.000  1.0
  Pu  Pu1  1  0.700  0.300  0.000  1.0
  B  B2  1  0.379  0.063  0.500  1.0
  B  B3  1  0.621  0.937  0.500  1.0
  B  B4  1  0.063  0.379  0.500  1.0
  B  B5  1  0.937  0.621  0.500  1.0
  B  B6  1  0.376  0.376  0.500  1.0
  B  B7  1  0.624  0.624  0.500  1.0
  B  B8  1  0.091  0.909  0.500  1.0
  B  B9  1  0.909  0.091  0.500  1.0
  Os  Os10  1  0.186  0.186  0.000  1.0
  Os  Os11  1  0.814  0.814  0.000  1.0
[/CIF]
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