The crystal structure described by RbSn3As3 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Sn(3), one As(3), two equivalent As(2), and three equivalent As(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form corner-sharing SnAs4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Sn(3), one As(1), and two equivalent As(3) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sn(2), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Rb(1), one Sn(2), and two equivalent Sn(1) atoms to form AsRb3Sn3 octahedra that share corners with two equivalent As(2)Rb2Sn3 square pyramids, edges with four equivalent As(1)Rb3Sn3 octahedra, and edges with three equivalent As(2)Rb2Sn3 square pyramids. In the second As site, As(2) is bonded to two equivalent Rb(1), one Sn(1), and two equivalent Sn(3) atoms to form AsRb2Sn3 square pyramids that share corners with two equivalent As(1)Rb3Sn3 octahedra, edges with three equivalent As(1)Rb3Sn3 octahedra, and edges with two equivalent As(2)Rb2Sn3 square pyramids. The corner-sharing octahedral tilt angles are 15°. In the third As site, As(3) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Sn(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Rb(SnAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.186
_cell_length_b   10.532
_cell_length_c   20.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.000
_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
  Rb  Rb0  1  0.750  0.288  0.960  1.0
  Rb  Rb1  1  0.750  0.788  0.540  1.0
  Rb  Rb2  1  0.250  0.712  0.040  1.0
  Rb  Rb3  1  0.250  0.212  0.460  1.0
  Sn  Sn4  1  0.750  0.181  0.652  1.0
  Sn  Sn5  1  0.750  0.681  0.848  1.0
  Sn  Sn6  1  0.250  0.819  0.348  1.0
  Sn  Sn7  1  0.250  0.319  0.152  1.0
  Sn  Sn8  1  0.750  0.102  0.259  1.0
  Sn  Sn9  1  0.750  0.602  0.241  1.0
  Sn  Sn10  1  0.250  0.898  0.741  1.0
  Sn  Sn11  1  0.250  0.398  0.759  1.0
  Sn  Sn12  1  0.750  0.979  0.124  1.0
  Sn  Sn13  1  0.750  0.479  0.376  1.0
  Sn  Sn14  1  0.250  0.021  0.876  1.0
  Sn  Sn15  1  0.250  0.521  0.624  1.0
  As  As16  1  0.750  0.473  0.124  1.0
  As  As17  1  0.750  0.973  0.376  1.0
  As  As18  1  0.250  0.527  0.876  1.0
  As  As19  1  0.250  0.027  0.624  1.0
  As  As20  1  0.750  0.381  0.572  1.0
  As  As21  1  0.750  0.881  0.928  1.0
  As  As22  1  0.250  0.619  0.428  1.0
  As  As23  1  0.250  0.119  0.072  1.0
  As  As24  1  0.750  0.237  0.781  1.0
  As  As25  1  0.750  0.737  0.719  1.0
  As  As26  1  0.250  0.763  0.219  1.0
  As  As27  1  0.250  0.263  0.281  1.0
[/CIF]
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The crystal structure described by RbSn3As3 crystallizes in the orthorhombic Pnma space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent Sn(3), one As(3), two equivalent As(2), and three equivalent As(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form corner-sharing SnAs4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Sn(3), one As(1), and two equivalent As(3) atoms. In the third Sn site, Sn(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Sn(2), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Rb(1), one Sn(2), and two equivalent Sn(1) atoms to form AsRb3Sn3 octahedra that share corners with two equivalent As(2)Rb2Sn3 square pyramids, edges with four equivalent As(1)Rb3Sn3 octahedra, and edges with three equivalent As(2)Rb2Sn3 square pyramids. In the second As site, As(2) is bonded to two equivalent Rb(1), one Sn(1), and two equivalent Sn(3) atoms to form AsRb2Sn3 square pyramids that share corners with two equivalent As(1)Rb3Sn3 octahedra, edges with three equivalent As(1)Rb3Sn3 octahedra, and edges with two equivalent As(2)Rb2Sn3 square pyramids. The corner-sharing octahedral tilt angles are 15°. In the third As site, As(3) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Sn(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Rb(SnAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.186
_cell_length_b   10.532
_cell_length_c   20.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   882.000
_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
  Rb  Rb0  1  0.750  0.288  0.960  1.0
  Rb  Rb1  1  0.750  0.788  0.540  1.0
  Rb  Rb2  1  0.250  0.712  0.040  1.0
  Rb  Rb3  1  0.250  0.212  0.460  1.0
  Sn  Sn4  1  0.750  0.181  0.652  1.0
  Sn  Sn5  1  0.750  0.681  0.848  1.0
  Sn  Sn6  1  0.250  0.819  0.348  1.0
  Sn  Sn7  1  0.250  0.319  0.152  1.0
  Sn  Sn8  1  0.750  0.102  0.259  1.0
  Sn  Sn9  1  0.750  0.602  0.241  1.0
  Sn  Sn10  1  0.250  0.898  0.741  1.0
  Sn  Sn11  1  0.250  0.398  0.759  1.0
  Sn  Sn12  1  0.750  0.979  0.124  1.0
  Sn  Sn13  1  0.750  0.479  0.376  1.0
  Sn  Sn14  1  0.250  0.021  0.876  1.0
  Sn  Sn15  1  0.250  0.521  0.624  1.0
  As  As16  1  0.750  0.473  0.124  1.0
  As  As17  1  0.750  0.973  0.376  1.0
  As  As18  1  0.250  0.527  0.876  1.0
  As  As19  1  0.250  0.027  0.624  1.0
  As  As20  1  0.750  0.381  0.572  1.0
  As  As21  1  0.750  0.881  0.928  1.0
  As  As22  1  0.250  0.619  0.428  1.0
  As  As23  1  0.250  0.119  0.072  1.0
  As  As24  1  0.750  0.237  0.781  1.0
  As  As25  1  0.750  0.737  0.719  1.0
  As  As26  1  0.250  0.763  0.219  1.0
  As  As27  1  0.250  0.263  0.281  1.0
[/CIF]
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