The material described by LuOsB4 crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 18-coordinate geometry to four equivalent Os(1), two equivalent B(4), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. Os(1) is bonded in a 15-coordinate geometry to four equivalent Lu(1), one Os(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Os(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_LuB4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.528
_cell_length_b   5.898
_cell_length_c   11.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.291
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.500  0.129  0.650  1.0
  Lu  Lu1  1  0.500  0.871  0.350  1.0
  Lu  Lu2  1  0.500  0.629  0.850  1.0
  Lu  Lu3  1  0.500  0.371  0.150  1.0
  B  B4  1  0.000  0.476  0.693  1.0
  B  B5  1  0.000  0.524  0.307  1.0
  B  B6  1  0.000  0.976  0.807  1.0
  B  B7  1  0.000  0.024  0.193  1.0
  B  B8  1  0.000  0.292  0.814  1.0
  B  B9  1  0.000  0.708  0.186  1.0
  B  B10  1  0.000  0.792  0.686  1.0
  B  B11  1  0.000  0.208  0.314  1.0
  B  B12  1  0.000  0.365  0.971  1.0
  B  B13  1  0.000  0.635  0.029  1.0
  B  B14  1  0.000  0.865  0.529  1.0
  B  B15  1  0.000  0.135  0.471  1.0
  B  B16  1  0.000  0.387  0.548  1.0
  B  B17  1  0.000  0.613  0.452  1.0
  B  B18  1  0.000  0.887  0.952  1.0
  B  B19  1  0.000  0.113  0.048  1.0
  Os  Os20  1  0.500  0.143  0.906  1.0
  Os  Os21  1  0.500  0.857  0.094  1.0
  Os  Os22  1  0.500  0.643  0.594  1.0
  Os  Os23  1  0.500  0.357  0.406  1.0
[/CIF]
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The material described by LuOsB4 crystallizes in the orthorhombic Pbam space group. Lu(1) is bonded in a 18-coordinate geometry to four equivalent Os(1), two equivalent B(4), four equivalent B(1), four equivalent B(2), and four equivalent B(3) atoms. Os(1) is bonded in a 15-coordinate geometry to four equivalent Lu(1), one Os(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), and four equivalent B(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(4), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(3), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Lu(1), two equivalent Os(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Os(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF card [CIF]
data_LuB4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.528
_cell_length_b   5.898
_cell_length_c   11.404
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.291
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.500  0.129  0.650  1.0
  Lu  Lu1  1  0.500  0.871  0.350  1.0
  Lu  Lu2  1  0.500  0.629  0.850  1.0
  Lu  Lu3  1  0.500  0.371  0.150  1.0
  B  B4  1  0.000  0.476  0.693  1.0
  B  B5  1  0.000  0.524  0.307  1.0
  B  B6  1  0.000  0.976  0.807  1.0
  B  B7  1  0.000  0.024  0.193  1.0
  B  B8  1  0.000  0.292  0.814  1.0
  B  B9  1  0.000  0.708  0.186  1.0
  B  B10  1  0.000  0.792  0.686  1.0
  B  B11  1  0.000  0.208  0.314  1.0
  B  B12  1  0.000  0.365  0.971  1.0
  B  B13  1  0.000  0.635  0.029  1.0
  B  B14  1  0.000  0.865  0.529  1.0
  B  B15  1  0.000  0.135  0.471  1.0
  B  B16  1  0.000  0.387  0.548  1.0
  B  B17  1  0.000  0.613  0.452  1.0
  B  B18  1  0.000  0.887  0.952  1.0
  B  B19  1  0.000  0.113  0.048  1.0
  Os  Os20  1  0.500  0.143  0.906  1.0
  Os  Os21  1  0.500  0.857  0.094  1.0
  Os  Os22  1  0.500  0.643  0.594  1.0
  Os  Os23  1  0.500  0.357  0.406  1.0
[/CIF]
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