The compound described by Er2ReB6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 14-coordinate geometry to three equivalent Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), two equivalent B(6), and four equivalent B(1) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and four equivalent B(6) atoms. Re(1) is bonded in a 15-coordinate geometry to two equivalent Er(2), three equivalent Er(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and two equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one B(2), one B(4), and one B(6) atom. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), two equivalent Re(1), one B(1), one B(2), and one B(5) atom. In the third B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(1), one B(3), and one B(6) atom. In the fourth B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(2), one B(4), and one B(5) atom. In the fifth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(3), one B(5), and one B(6) atom. In the sixth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_Er2ReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   9.111
_cell_length_c   11.472
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.438
_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
  Er  Er0  1  0.000  0.324  0.414  1.0
  Er  Er1  1  0.000  0.676  0.586  1.0
  Er  Er2  1  1.000  0.824  0.086  1.0
  Er  Er3  1  0.000  0.176  0.914  1.0
  Er  Er4  1  1.000  0.943  0.370  1.0
  Er  Er5  1  0.000  0.057  0.630  1.0
  Er  Er6  1  0.000  0.443  0.130  1.0
  Er  Er7  1  1.000  0.557  0.870  1.0
  Re  Re8  1  0.000  0.639  0.321  1.0
  Re  Re9  1  0.000  0.361  0.679  1.0
  Re  Re10  1  0.000  0.139  0.179  1.0
  Re  Re11  1  1.000  0.861  0.821  1.0
  B  B12  1  0.500  0.553  0.433  1.0
  B  B13  1  0.500  0.447  0.567  1.0
  B  B14  1  0.500  0.053  0.067  1.0
  B  B15  1  0.500  0.947  0.933  1.0
  B  B16  1  0.500  0.750  0.419  1.0
  B  B17  1  0.500  0.250  0.581  1.0
  B  B18  1  0.500  0.249  0.081  1.0
  B  B19  1  0.500  0.751  0.919  1.0
  B  B20  1  0.500  0.792  0.265  1.0
  B  B21  1  0.500  0.208  0.735  1.0
  B  B22  1  0.500  0.292  0.235  1.0
  B  B23  1  0.500  0.708  0.765  1.0
  B  B24  1  0.500  0.631  0.185  1.0
  B  B25  1  0.500  0.369  0.815  1.0
  B  B26  1  0.500  0.131  0.315  1.0
  B  B27  1  0.500  0.869  0.685  1.0
  B  B28  1  0.500  0.982  0.212  1.0
  B  B29  1  0.500  0.018  0.788  1.0
  B  B30  1  0.500  0.482  0.288  1.0
  B  B31  1  0.500  0.518  0.712  1.0
  B  B32  1  0.500  0.600  0.028  1.0
  B  B33  1  0.500  0.400  0.972  1.0
  B  B34  1  0.500  0.100  0.472  1.0
  B  B35  1  0.500  0.900  0.528  1.0
[/CIF]
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The compound described by Er2ReB6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 14-coordinate geometry to three equivalent Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), two equivalent B(6), and four equivalent B(1) atoms. In the second Er site, Er(2) is bonded in a 14-coordinate geometry to two equivalent Re(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and four equivalent B(6) atoms. Re(1) is bonded in a 15-coordinate geometry to two equivalent Er(2), three equivalent Er(1), two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), and two equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Er(1), four equivalent Er(2), one B(2), one B(4), and one B(6) atom. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Er(1), two equivalent Re(1), one B(1), one B(2), and one B(5) atom. In the third B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(1), one B(3), and one B(6) atom. In the fourth B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(2), one B(4), and one B(5) atom. In the fifth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(3), one B(5), and one B(6) atom. In the sixth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Er(1), two equivalent Er(2), two equivalent Re(1), one B(1), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_Er2ReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.650
_cell_length_b   9.111
_cell_length_c   11.472
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.438
_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
  Er  Er0  1  0.000  0.324  0.414  1.0
  Er  Er1  1  0.000  0.676  0.586  1.0
  Er  Er2  1  1.000  0.824  0.086  1.0
  Er  Er3  1  0.000  0.176  0.914  1.0
  Er  Er4  1  1.000  0.943  0.370  1.0
  Er  Er5  1  0.000  0.057  0.630  1.0
  Er  Er6  1  0.000  0.443  0.130  1.0
  Er  Er7  1  1.000  0.557  0.870  1.0
  Re  Re8  1  0.000  0.639  0.321  1.0
  Re  Re9  1  0.000  0.361  0.679  1.0
  Re  Re10  1  0.000  0.139  0.179  1.0
  Re  Re11  1  1.000  0.861  0.821  1.0
  B  B12  1  0.500  0.553  0.433  1.0
  B  B13  1  0.500  0.447  0.567  1.0
  B  B14  1  0.500  0.053  0.067  1.0
  B  B15  1  0.500  0.947  0.933  1.0
  B  B16  1  0.500  0.750  0.419  1.0
  B  B17  1  0.500  0.250  0.581  1.0
  B  B18  1  0.500  0.249  0.081  1.0
  B  B19  1  0.500  0.751  0.919  1.0
  B  B20  1  0.500  0.792  0.265  1.0
  B  B21  1  0.500  0.208  0.735  1.0
  B  B22  1  0.500  0.292  0.235  1.0
  B  B23  1  0.500  0.708  0.765  1.0
  B  B24  1  0.500  0.631  0.185  1.0
  B  B25  1  0.500  0.369  0.815  1.0
  B  B26  1  0.500  0.131  0.315  1.0
  B  B27  1  0.500  0.869  0.685  1.0
  B  B28  1  0.500  0.982  0.212  1.0
  B  B29  1  0.500  0.018  0.788  1.0
  B  B30  1  0.500  0.482  0.288  1.0
  B  B31  1  0.500  0.518  0.712  1.0
  B  B32  1  0.500  0.600  0.028  1.0
  B  B33  1  0.500  0.400  0.972  1.0
  B  B34  1  0.500  0.100  0.472  1.0
  B  B35  1  0.500  0.900  0.528  1.0
[/CIF]
.