The crystal structure described by ScOs3B4 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 4-coordinate geometry to four equivalent Os(2), two equivalent B(1), and four equivalent B(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to one B(2), two equivalent B(1), and three equivalent B(3) atoms. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to four equivalent Sc(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Os(2), and four equivalent Os(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Os(2), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), one Os(2), three equivalent Os(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScB4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   9.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.953
_symmetry_Int_Tables_number   1
_cell_volume   173.134
_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
  Sc  Sc0  1  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.371  0.629  0.250  1.0
  B  B3  1  0.629  0.371  0.750  1.0
  B  B4  1  0.650  0.350  0.250  1.0
  B  B5  1  0.350  0.650  0.750  1.0
  B  B6  1  0.844  0.156  0.891  1.0
  B  B7  1  0.156  0.844  0.391  1.0
  B  B8  1  0.156  0.844  0.109  1.0
  B  B9  1  0.844  0.156  0.609  1.0
  Os  Os10  1  0.798  0.202  0.108  1.0
  Os  Os11  1  0.989  0.011  0.750  1.0
  Os  Os12  1  0.011  0.989  0.250  1.0
  Os  Os13  1  0.202  0.798  0.892  1.0
  Os  Os14  1  0.202  0.798  0.608  1.0
  Os  Os15  1  0.798  0.202  0.392  1.0
[/CIF]
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The crystal structure described by ScOs3B4 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded in a 4-coordinate geometry to four equivalent Os(2), two equivalent B(1), and four equivalent B(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to one B(2), two equivalent B(1), and three equivalent B(3) atoms. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to four equivalent Sc(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Os(2), and four equivalent Os(1) atoms. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Os(2), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), one Os(2), three equivalent Os(1), and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScB4Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.108
_cell_length_b   6.108
_cell_length_c   9.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.953
_symmetry_Int_Tables_number   1
_cell_volume   173.134
_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
  Sc  Sc0  1  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.371  0.629  0.250  1.0
  B  B3  1  0.629  0.371  0.750  1.0
  B  B4  1  0.650  0.350  0.250  1.0
  B  B5  1  0.350  0.650  0.750  1.0
  B  B6  1  0.844  0.156  0.891  1.0
  B  B7  1  0.156  0.844  0.391  1.0
  B  B8  1  0.156  0.844  0.109  1.0
  B  B9  1  0.844  0.156  0.609  1.0
  Os  Os10  1  0.798  0.202  0.108  1.0
  Os  Os11  1  0.989  0.011  0.750  1.0
  Os  Os12  1  0.011  0.989  0.250  1.0
  Os  Os13  1  0.202  0.798  0.892  1.0
  Os  Os14  1  0.202  0.798  0.608  1.0
  Os  Os15  1  0.798  0.202  0.392  1.0
[/CIF]
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