The material structure described by Sc19(RuBr7)4 crystallizes in the trigonal R3m space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ru(1), one Br(1), two equivalent Br(3), and two equivalent Br(6) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ru(2), one Br(2), two equivalent Br(3), and two equivalent Br(8) atoms. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one Ru(2), one Br(1), one Br(2), one Br(3), one Br(7), and one Br(8) atom. In the fourth Sc site, Sc(4) is bonded to three equivalent Ru(2) and three equivalent Br(2) atoms to form edge-sharing ScRu3Br3 octahedra. In the fifth Sc site, Sc(5) is bonded to one Ru(1), two equivalent Ru(2), one Br(1), and two equivalent Br(3) atoms to form edge-sharing ScRu3Br3 octahedra. In the sixth Sc site, Sc(6) is bonded to one Br(4), one Br(7), two equivalent Br(5), and two equivalent Br(8) atoms to form edge-sharing ScBr6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent Sc(1) and three equivalent Sc(5) atoms to form distorted edge-sharing RuSc6 octahedra. In the second Ru site, Ru(2) is bonded to one Sc(2), one Sc(4), two equivalent Sc(3), and two equivalent Sc(5) atoms to form distorted edge-sharing RuSc6 octahedra. There are eight inequivalent Br sites. In the first Br site, Br(8) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(3), and one Sc(6) atom. In the second Br site, Br(1) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(5), and two equivalent Sc(3) atoms. In the third Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Sc(2), one Sc(4), and two equivalent Sc(3) atoms. In the fourth Br site, Br(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Sc(3), and one Sc(5) atom. In the fifth Br site, Br(4) is bonded in a distorted T-shaped geometry to three equivalent Sc(6) atoms. In the sixth Br site, Br(5) is bonded in an L-shaped geometry to two equivalent Sc(6) atoms. In the seventh Br site, Br(6) is bonded in a distorted L-shaped geometry to two equivalent Sc(1) atoms. In the eighth Br site, Br(7) is bonded in a distorted T-shaped geometry to one Sc(6) and two equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc19(RuBr7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.235
_cell_length_b   11.235
_cell_length_c   11.235
_cell_angle_alpha   89.287
_cell_angle_beta   89.287
_cell_angle_gamma   89.287
_symmetry_Int_Tables_number   1
_cell_volume   1417.890
_cell_formula_units_Z   1
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  0.326  0.118  0.118  1.0
  Sc  Sc1  1  0.118  0.326  0.118  1.0
  Sc  Sc2  1  0.118  0.118  0.326  1.0
  Sc  Sc3  1  0.323  0.886  0.886  1.0
  Sc  Sc4  1  0.116  0.676  0.886  1.0
  Sc  Sc5  1  0.116  0.886  0.676  1.0
  Sc  Sc6  1  0.676  0.886  0.116  1.0
  Sc  Sc7  1  0.886  0.676  0.116  1.0
  Sc  Sc8  1  0.886  0.886  0.323  1.0
  Sc  Sc9  1  0.676  0.116  0.886  1.0
  Sc  Sc10  1  0.886  0.323  0.886  1.0
  Sc  Sc11  1  0.886  0.116  0.676  1.0
  Sc  Sc12  1  0.865  0.865  0.865  1.0
  Sc  Sc13  1  0.866  0.134  0.134  1.0
  Sc  Sc14  1  0.134  0.134  0.866  1.0
  Sc  Sc15  1  0.134  0.866  0.134  1.0
  Sc  Sc16  1  0.379  0.621  0.621  1.0
  Sc  Sc17  1  0.621  0.621  0.379  1.0
  Sc  Sc18  1  0.621  0.379  0.621  1.0
  Ru  Ru19  1  0.099  0.099  0.099  1.0
  Ru  Ru20  1  0.098  0.900  0.900  1.0
  Ru  Ru21  1  0.900  0.900  0.098  1.0
  Ru  Ru22  1  0.900  0.098  0.900  1.0
  Br  Br23  1  0.606  0.126  0.126  1.0
  Br  Br24  1  0.126  0.606  0.126  1.0
  Br  Br25  1  0.126  0.126  0.606  1.0
  Br  Br26  1  0.607  0.875  0.875  1.0
  Br  Br27  1  0.123  0.394  0.874  1.0
  Br  Br28  1  0.123  0.874  0.394  1.0
  Br  Br29  1  0.394  0.874  0.123  1.0
  Br  Br30  1  0.874  0.394  0.123  1.0
  Br  Br31  1  0.875  0.875  0.607  1.0
  Br  Br32  1  0.394  0.123  0.874  1.0
  Br  Br33  1  0.875  0.607  0.875  1.0
  Br  Br34  1  0.874  0.123  0.394  1.0
  Br  Br35  1  0.625  0.625  0.625  1.0
  Br  Br36  1  0.632  0.385  0.385  1.0
  Br  Br37  1  0.385  0.385  0.632  1.0
  Br  Br38  1  0.385  0.632  0.385  1.0
  Br  Br39  1  0.111  0.355  0.355  1.0
  Br  Br40  1  0.355  0.111  0.355  1.0
  Br  Br41  1  0.355  0.355  0.111  1.0
  Br  Br42  1  0.133  0.638  0.638  1.0
  Br  Br43  1  0.364  0.868  0.637  1.0
  Br  Br44  1  0.364  0.637  0.868  1.0
  Br  Br45  1  0.868  0.637  0.364  1.0
  Br  Br46  1  0.637  0.868  0.364  1.0
  Br  Br47  1  0.638  0.638  0.133  1.0
  Br  Br48  1  0.868  0.364  0.637  1.0
  Br  Br49  1  0.638  0.133  0.638  1.0
  Br  Br50  1  0.637  0.364  0.868  1.0
[/CIF]
.
The material structure described by Sc19(RuBr7)4 crystallizes in the trigonal R3m space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ru(1), one Br(1), two equivalent Br(3), and two equivalent Br(6) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ru(2), one Br(2), two equivalent Br(3), and two equivalent Br(8) atoms. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one Ru(2), one Br(1), one Br(2), one Br(3), one Br(7), and one Br(8) atom. In the fourth Sc site, Sc(4) is bonded to three equivalent Ru(2) and three equivalent Br(2) atoms to form edge-sharing ScRu3Br3 octahedra. In the fifth Sc site, Sc(5) is bonded to one Ru(1), two equivalent Ru(2), one Br(1), and two equivalent Br(3) atoms to form edge-sharing ScRu3Br3 octahedra. In the sixth Sc site, Sc(6) is bonded to one Br(4), one Br(7), two equivalent Br(5), and two equivalent Br(8) atoms to form edge-sharing ScBr6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent Sc(1) and three equivalent Sc(5) atoms to form distorted edge-sharing RuSc6 octahedra. In the second Ru site, Ru(2) is bonded to one Sc(2), one Sc(4), two equivalent Sc(3), and two equivalent Sc(5) atoms to form distorted edge-sharing RuSc6 octahedra. There are eight inequivalent Br sites. In the first Br site, Br(8) is bonded in a distorted T-shaped geometry to one Sc(2), one Sc(3), and one Sc(6) atom. In the second Br site, Br(1) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(5), and two equivalent Sc(3) atoms. In the third Br site, Br(2) is bonded in a distorted see-saw-like geometry to one Sc(2), one Sc(4), and two equivalent Sc(3) atoms. In the fourth Br site, Br(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Sc(3), and one Sc(5) atom. In the fifth Br site, Br(4) is bonded in a distorted T-shaped geometry to three equivalent Sc(6) atoms. In the sixth Br site, Br(5) is bonded in an L-shaped geometry to two equivalent Sc(6) atoms. In the seventh Br site, Br(6) is bonded in a distorted L-shaped geometry to two equivalent Sc(1) atoms. In the eighth Br site, Br(7) is bonded in a distorted T-shaped geometry to one Sc(6) and two equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc19(RuBr7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.235
_cell_length_b   11.235
_cell_length_c   11.235
_cell_angle_alpha   89.287
_cell_angle_beta   89.287
_cell_angle_gamma   89.287
_symmetry_Int_Tables_number   1
_cell_volume   1417.890
_cell_formula_units_Z   1
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  0.326  0.118  0.118  1.0
  Sc  Sc1  1  0.118  0.326  0.118  1.0
  Sc  Sc2  1  0.118  0.118  0.326  1.0
  Sc  Sc3  1  0.323  0.886  0.886  1.0
  Sc  Sc4  1  0.116  0.676  0.886  1.0
  Sc  Sc5  1  0.116  0.886  0.676  1.0
  Sc  Sc6  1  0.676  0.886  0.116  1.0
  Sc  Sc7  1  0.886  0.676  0.116  1.0
  Sc  Sc8  1  0.886  0.886  0.323  1.0
  Sc  Sc9  1  0.676  0.116  0.886  1.0
  Sc  Sc10  1  0.886  0.323  0.886  1.0
  Sc  Sc11  1  0.886  0.116  0.676  1.0
  Sc  Sc12  1  0.865  0.865  0.865  1.0
  Sc  Sc13  1  0.866  0.134  0.134  1.0
  Sc  Sc14  1  0.134  0.134  0.866  1.0
  Sc  Sc15  1  0.134  0.866  0.134  1.0
  Sc  Sc16  1  0.379  0.621  0.621  1.0
  Sc  Sc17  1  0.621  0.621  0.379  1.0
  Sc  Sc18  1  0.621  0.379  0.621  1.0
  Ru  Ru19  1  0.099  0.099  0.099  1.0
  Ru  Ru20  1  0.098  0.900  0.900  1.0
  Ru  Ru21  1  0.900  0.900  0.098  1.0
  Ru  Ru22  1  0.900  0.098  0.900  1.0
  Br  Br23  1  0.606  0.126  0.126  1.0
  Br  Br24  1  0.126  0.606  0.126  1.0
  Br  Br25  1  0.126  0.126  0.606  1.0
  Br  Br26  1  0.607  0.875  0.875  1.0
  Br  Br27  1  0.123  0.394  0.874  1.0
  Br  Br28  1  0.123  0.874  0.394  1.0
  Br  Br29  1  0.394  0.874  0.123  1.0
  Br  Br30  1  0.874  0.394  0.123  1.0
  Br  Br31  1  0.875  0.875  0.607  1.0
  Br  Br32  1  0.394  0.123  0.874  1.0
  Br  Br33  1  0.875  0.607  0.875  1.0
  Br  Br34  1  0.874  0.123  0.394  1.0
  Br  Br35  1  0.625  0.625  0.625  1.0
  Br  Br36  1  0.632  0.385  0.385  1.0
  Br  Br37  1  0.385  0.385  0.632  1.0
  Br  Br38  1  0.385  0.632  0.385  1.0
  Br  Br39  1  0.111  0.355  0.355  1.0
  Br  Br40  1  0.355  0.111  0.355  1.0
  Br  Br41  1  0.355  0.355  0.111  1.0
  Br  Br42  1  0.133  0.638  0.638  1.0
  Br  Br43  1  0.364  0.868  0.637  1.0
  Br  Br44  1  0.364  0.637  0.868  1.0
  Br  Br45  1  0.868  0.637  0.364  1.0
  Br  Br46  1  0.637  0.868  0.364  1.0
  Br  Br47  1  0.638  0.638  0.133  1.0
  Br  Br48  1  0.868  0.364  0.637  1.0
  Br  Br49  1  0.638  0.133  0.638  1.0
  Br  Br50  1  0.637  0.364  0.868  1.0
[/CIF]
.