The material described by SmReB4 crystallizes in the orthorhombic Pbam space group. Sm(1) is bonded in a 18-coordinate geometry to four equivalent Re(1), two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Re(1) is bonded in a 15-coordinate geometry to four equivalent Sm(1), one Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Re(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 Sm(1), two equivalent Re(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Sm(1), two equivalent Re(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Sm(1), two equivalent Re(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_SmReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   6.034
_cell_length_c   11.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.268
_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
  Sm  Sm0  1  0.500  0.375  0.151  1.0
  Sm  Sm1  1  0.500  0.625  0.849  1.0
  Sm  Sm2  1  0.500  0.125  0.651  1.0
  Sm  Sm3  1  0.500  0.875  0.349  1.0
  Re  Re4  1  0.500  0.370  0.414  1.0
  Re  Re5  1  0.500  0.630  0.586  1.0
  Re  Re6  1  0.500  0.130  0.914  1.0
  Re  Re7  1  0.500  0.870  0.086  1.0
  B  B8  1  0.000  0.113  0.046  1.0
  B  B9  1  0.000  0.887  0.954  1.0
  B  B10  1  0.000  0.387  0.546  1.0
  B  B11  1  0.000  0.613  0.454  1.0
  B  B12  1  0.000  0.140  0.468  1.0
  B  B13  1  0.000  0.860  0.532  1.0
  B  B14  1  0.000  0.360  0.968  1.0
  B  B15  1  0.000  0.640  0.032  1.0
  B  B16  1  0.000  0.024  0.190  1.0
  B  B17  1  0.000  0.976  0.810  1.0
  B  B18  1  0.000  0.476  0.690  1.0
  B  B19  1  0.000  0.524  0.310  1.0
  B  B20  1  0.000  0.217  0.316  1.0
  B  B21  1  0.000  0.783  0.684  1.0
  B  B22  1  0.000  0.283  0.816  1.0
  B  B23  1  0.000  0.717  0.184  1.0
[/CIF]
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The material described by SmReB4 crystallizes in the orthorhombic Pbam space group. Sm(1) is bonded in a 18-coordinate geometry to four equivalent Re(1), two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Re(1) is bonded in a 15-coordinate geometry to four equivalent Sm(1), one Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Re(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 Sm(1), two equivalent Re(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Sm(1), two equivalent Re(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Sm(1), two equivalent Re(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_SmReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.655
_cell_length_b   6.034
_cell_length_c   11.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.268
_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
  Sm  Sm0  1  0.500  0.375  0.151  1.0
  Sm  Sm1  1  0.500  0.625  0.849  1.0
  Sm  Sm2  1  0.500  0.125  0.651  1.0
  Sm  Sm3  1  0.500  0.875  0.349  1.0
  Re  Re4  1  0.500  0.370  0.414  1.0
  Re  Re5  1  0.500  0.630  0.586  1.0
  Re  Re6  1  0.500  0.130  0.914  1.0
  Re  Re7  1  0.500  0.870  0.086  1.0
  B  B8  1  0.000  0.113  0.046  1.0
  B  B9  1  0.000  0.887  0.954  1.0
  B  B10  1  0.000  0.387  0.546  1.0
  B  B11  1  0.000  0.613  0.454  1.0
  B  B12  1  0.000  0.140  0.468  1.0
  B  B13  1  0.000  0.860  0.532  1.0
  B  B14  1  0.000  0.360  0.968  1.0
  B  B15  1  0.000  0.640  0.032  1.0
  B  B16  1  0.000  0.024  0.190  1.0
  B  B17  1  0.000  0.976  0.810  1.0
  B  B18  1  0.000  0.476  0.690  1.0
  B  B19  1  0.000  0.524  0.310  1.0
  B  B20  1  0.000  0.217  0.316  1.0
  B  B21  1  0.000  0.783  0.684  1.0
  B  B22  1  0.000  0.283  0.816  1.0
  B  B23  1  0.000  0.717  0.184  1.0
[/CIF]
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