The material described by ScReGe2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to one Re(2), three equivalent Re(1), one Ge(4), one Ge(5), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to two equivalent Re(2), four equivalent Re(1), two equivalent Ge(1), two equivalent Ge(3), and three equivalent Ge(5) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), one Re(2), one Ge(2), one Ge(3), one Ge(4), one Ge(5), and two equivalent Ge(1) atoms. In the second Re site, Re(2) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Re(1), two equivalent Ge(1), two equivalent Ge(4), and two equivalent Ge(5) atoms to form a mixture of distorted face and edge-sharing ReSc4Re2Ge6 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 7-coordinate geometry to four equivalent Sc(1), two equivalent Re(1), and one Ge(2) atom. In the second Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Re(1), and one Ge(3) atom. In the third Ge site, Ge(4) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 9-coordinate geometry to two equivalent Sc(1), three equivalent Sc(2), two equivalent Re(1), and two equivalent Re(2) atoms. In the fifth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Sc(2), two equivalent Sc(1), one Re(2), two equivalent Re(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_ScReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.329
_cell_length_b   9.428
_cell_length_c   10.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   799.139
_cell_formula_units_Z   12
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  0.245  0.829  0.452  1.0
  Sc  Sc1  1  0.245  0.171  0.548  1.0
  Sc  Sc2  1  0.755  0.329  0.048  1.0
  Sc  Sc3  1  0.755  0.671  0.952  1.0
  Sc  Sc4  1  0.755  0.171  0.548  1.0
  Sc  Sc5  1  0.755  0.829  0.452  1.0
  Sc  Sc6  1  0.245  0.671  0.952  1.0
  Sc  Sc7  1  0.245  0.329  0.048  1.0
  Sc  Sc8  1  0.000  0.835  0.178  1.0
  Sc  Sc9  1  0.000  0.165  0.822  1.0
  Sc  Sc10  1  0.000  0.335  0.322  1.0
  Sc  Sc11  1  0.000  0.665  0.678  1.0
  Re  Re12  1  0.250  0.578  0.248  1.0
  Re  Re13  1  0.250  0.422  0.752  1.0
  Re  Re14  1  0.750  0.078  0.252  1.0
  Re  Re15  1  0.750  0.922  0.748  1.0
  Re  Re16  1  0.750  0.422  0.752  1.0
  Re  Re17  1  0.750  0.578  0.248  1.0
  Re  Re18  1  0.250  0.922  0.748  1.0
  Re  Re19  1  0.250  0.078  0.252  1.0
  Re  Re20  1  0.244  0.500  0.500  1.0
  Re  Re21  1  0.756  0.000  0.000  1.0
  Re  Re22  1  0.756  0.500  0.500  1.0
  Re  Re23  1  0.244  0.000  0.000  1.0
  Ge  Ge24  1  0.348  0.827  0.181  1.0
  Ge  Ge25  1  0.348  0.173  0.819  1.0
  Ge  Ge26  1  0.652  0.327  0.319  1.0
  Ge  Ge27  1  0.652  0.673  0.681  1.0
  Ge  Ge28  1  0.652  0.173  0.819  1.0
  Ge  Ge29  1  0.652  0.827  0.181  1.0
  Ge  Ge30  1  0.348  0.673  0.681  1.0
  Ge  Ge31  1  0.348  0.327  0.319  1.0
  Ge  Ge32  1  0.500  0.536  0.119  1.0
  Ge  Ge33  1  0.500  0.464  0.881  1.0
  Ge  Ge34  1  0.500  0.036  0.381  1.0
  Ge  Ge35  1  0.500  0.964  0.619  1.0
  Ge  Ge36  1  0.000  0.542  0.118  1.0
  Ge  Ge37  1  0.000  0.458  0.882  1.0
  Ge  Ge38  1  0.000  0.042  0.382  1.0
  Ge  Ge39  1  0.000  0.958  0.618  1.0
  Ge  Ge40  1  0.500  0.635  0.413  1.0
  Ge  Ge41  1  0.500  0.365  0.587  1.0
  Ge  Ge42  1  0.500  0.135  0.087  1.0
  Ge  Ge43  1  0.500  0.865  0.913  1.0
  Ge  Ge44  1  0.000  0.641  0.402  1.0
  Ge  Ge45  1  0.000  0.359  0.598  1.0
  Ge  Ge46  1  0.000  0.141  0.098  1.0
  Ge  Ge47  1  0.000  0.859  0.902  1.0
[/CIF]
.
The material described by ScReGe2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to one Re(2), three equivalent Re(1), one Ge(4), one Ge(5), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to two equivalent Re(2), four equivalent Re(1), two equivalent Ge(1), two equivalent Ge(3), and three equivalent Ge(5) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), one Re(2), one Ge(2), one Ge(3), one Ge(4), one Ge(5), and two equivalent Ge(1) atoms. In the second Re site, Re(2) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Re(1), two equivalent Ge(1), two equivalent Ge(4), and two equivalent Ge(5) atoms to form a mixture of distorted face and edge-sharing ReSc4Re2Ge6 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 7-coordinate geometry to four equivalent Sc(1), two equivalent Re(1), and one Ge(2) atom. In the second Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Re(1), and one Ge(3) atom. In the third Ge site, Ge(4) is bonded in a 6-coordinate geometry to two equivalent Sc(1), two equivalent Re(1), and two equivalent Re(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 9-coordinate geometry to two equivalent Sc(1), three equivalent Sc(2), two equivalent Re(1), and two equivalent Re(2) atoms. In the fifth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Sc(2), two equivalent Sc(1), one Re(2), two equivalent Re(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_ScReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.329
_cell_length_b   9.428
_cell_length_c   10.177
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   799.139
_cell_formula_units_Z   12
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  0.245  0.829  0.452  1.0
  Sc  Sc1  1  0.245  0.171  0.548  1.0
  Sc  Sc2  1  0.755  0.329  0.048  1.0
  Sc  Sc3  1  0.755  0.671  0.952  1.0
  Sc  Sc4  1  0.755  0.171  0.548  1.0
  Sc  Sc5  1  0.755  0.829  0.452  1.0
  Sc  Sc6  1  0.245  0.671  0.952  1.0
  Sc  Sc7  1  0.245  0.329  0.048  1.0
  Sc  Sc8  1  0.000  0.835  0.178  1.0
  Sc  Sc9  1  0.000  0.165  0.822  1.0
  Sc  Sc10  1  0.000  0.335  0.322  1.0
  Sc  Sc11  1  0.000  0.665  0.678  1.0
  Re  Re12  1  0.250  0.578  0.248  1.0
  Re  Re13  1  0.250  0.422  0.752  1.0
  Re  Re14  1  0.750  0.078  0.252  1.0
  Re  Re15  1  0.750  0.922  0.748  1.0
  Re  Re16  1  0.750  0.422  0.752  1.0
  Re  Re17  1  0.750  0.578  0.248  1.0
  Re  Re18  1  0.250  0.922  0.748  1.0
  Re  Re19  1  0.250  0.078  0.252  1.0
  Re  Re20  1  0.244  0.500  0.500  1.0
  Re  Re21  1  0.756  0.000  0.000  1.0
  Re  Re22  1  0.756  0.500  0.500  1.0
  Re  Re23  1  0.244  0.000  0.000  1.0
  Ge  Ge24  1  0.348  0.827  0.181  1.0
  Ge  Ge25  1  0.348  0.173  0.819  1.0
  Ge  Ge26  1  0.652  0.327  0.319  1.0
  Ge  Ge27  1  0.652  0.673  0.681  1.0
  Ge  Ge28  1  0.652  0.173  0.819  1.0
  Ge  Ge29  1  0.652  0.827  0.181  1.0
  Ge  Ge30  1  0.348  0.673  0.681  1.0
  Ge  Ge31  1  0.348  0.327  0.319  1.0
  Ge  Ge32  1  0.500  0.536  0.119  1.0
  Ge  Ge33  1  0.500  0.464  0.881  1.0
  Ge  Ge34  1  0.500  0.036  0.381  1.0
  Ge  Ge35  1  0.500  0.964  0.619  1.0
  Ge  Ge36  1  0.000  0.542  0.118  1.0
  Ge  Ge37  1  0.000  0.458  0.882  1.0
  Ge  Ge38  1  0.000  0.042  0.382  1.0
  Ge  Ge39  1  0.000  0.958  0.618  1.0
  Ge  Ge40  1  0.500  0.635  0.413  1.0
  Ge  Ge41  1  0.500  0.365  0.587  1.0
  Ge  Ge42  1  0.500  0.135  0.087  1.0
  Ge  Ge43  1  0.500  0.865  0.913  1.0
  Ge  Ge44  1  0.000  0.641  0.402  1.0
  Ge  Ge45  1  0.000  0.359  0.598  1.0
  Ge  Ge46  1  0.000  0.141  0.098  1.0
  Ge  Ge47  1  0.000  0.859  0.902  1.0
[/CIF]
.