The material structure described by Ba3(SnAs2)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form a mixture of edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ba site, Ba(2) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Ba site, Ba(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one As(3) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one As(3) and two equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(4) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), and two equivalent Sn(2) atoms to form AsBa4Sn2 octahedra that share corners with two equivalent As(3)Ba4Sn2 octahedra, corners with two equivalent As(1)Ba5Sn octahedra, corners with four equivalent As(2)Ba5Sn octahedra,  an edgeedge with one As(2)Ba5Sn octahedra, edges with two equivalent As(4)Ba4Sn2 octahedra, edges with two equivalent As(1)Ba5Sn octahedra, and edges with three equivalent As(3)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 6-93°. In the second As site, As(1) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form AsBa5Sn octahedra that share corners with two equivalent As(4)Ba4Sn2 octahedra, corners with two equivalent As(2)Ba5Sn octahedra, corners with three equivalent As(3)Ba4Sn2 octahedra, edges with two equivalent As(3)Ba4Sn2 octahedra, edges with two equivalent As(4)Ba4Sn2 octahedra, edges with two equivalent As(1)Ba5Sn octahedra, and edges with four equivalent As(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 3-93°. In the third As site, As(2) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form AsBa5Sn octahedra that share  a cornercorner with one As(3)Ba4Sn2 octahedra, corners with two equivalent As(1)Ba5Sn octahedra, corners with four equivalent As(4)Ba4Sn2 octahedra,  an edgeedge with one As(4)Ba4Sn2 octahedra, edges with two equivalent As(2)Ba5Sn octahedra, edges with three equivalent As(3)Ba4Sn2 octahedra, and edges with four equivalent As(1)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 3-83°. In the fourth As site, As(3) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Sn(1), and one Sn(2) atom to form AsBa4Sn2 octahedra that share  a cornercorner with one As(2)Ba5Sn octahedra, corners with two equivalent As(3)Ba4Sn2 octahedra, corners with two equivalent As(4)Ba4Sn2 octahedra, corners with three equivalent As(1)Ba5Sn octahedra, edges with two equivalent As(1)Ba5Sn octahedra, edges with three equivalent As(4)Ba4Sn2 octahedra, and edges with three equivalent As(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-92°. is represented by the CIF card [CIF]
data_Ba3(SnAs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.070
_cell_length_b   8.019
_cell_length_c   8.162
_cell_angle_alpha   67.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1215.242
_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
  Ba  Ba0  1  0.317  0.009  0.787  1.0
  Ba  Ba1  1  0.817  0.491  0.213  1.0
  Ba  Ba2  1  0.683  0.991  0.213  1.0
  Ba  Ba3  1  0.183  0.509  0.787  1.0
  Ba  Ba4  1  0.440  0.994  0.262  1.0
  Ba  Ba5  1  0.940  0.506  0.738  1.0
  Ba  Ba6  1  0.560  0.006  0.738  1.0
  Ba  Ba7  1  0.060  0.494  0.262  1.0
  Ba  Ba8  1  0.436  0.512  0.742  1.0
  Ba  Ba9  1  0.936  0.988  0.258  1.0
  Ba  Ba10  1  0.564  0.488  0.258  1.0
  Ba  Ba11  1  0.064  0.012  0.742  1.0
  Sn  Sn12  1  0.624  0.525  0.789  1.0
  Sn  Sn13  1  0.124  0.975  0.211  1.0
  Sn  Sn14  1  0.376  0.475  0.211  1.0
  Sn  Sn15  1  0.876  0.025  0.789  1.0
  Sn  Sn16  1  0.742  0.401  0.685  1.0
  Sn  Sn17  1  0.758  0.901  0.685  1.0
  Sn  Sn18  1  0.258  0.599  0.315  1.0
  Sn  Sn19  1  0.242  0.099  0.315  1.0
  As  As20  1  0.435  0.255  0.496  1.0
  As  As21  1  0.935  0.245  0.504  1.0
  As  As22  1  0.565  0.745  0.504  1.0
  As  As23  1  0.065  0.755  0.496  1.0
  As  As24  1  0.445  0.749  0.002  1.0
  As  As25  1  0.945  0.751  0.998  1.0
  As  As26  1  0.555  0.251  0.998  1.0
  As  As27  1  0.055  0.249  0.002  1.0
  As  As28  1  0.183  0.784  0.038  1.0
  As  As29  1  0.683  0.716  0.962  1.0
  As  As30  1  0.817  0.216  0.962  1.0
  As  As31  1  0.317  0.284  0.038  1.0
  As  As32  1  0.800  0.715  0.491  1.0
  As  As33  1  0.700  0.215  0.491  1.0
  As  As34  1  0.200  0.285  0.509  1.0
  As  As35  1  0.300  0.785  0.509  1.0
[/CIF]
.
The material structure described by Ba3(SnAs2)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one As(1), one As(2), two equivalent As(3), and two equivalent As(4) atoms to form a mixture of edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ba site, Ba(2) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the third Ba site, Ba(3) is bonded to one As(3), one As(4), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing BaAs6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one As(3) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one As(3) and two equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(4) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), and two equivalent Sn(2) atoms to form AsBa4Sn2 octahedra that share corners with two equivalent As(3)Ba4Sn2 octahedra, corners with two equivalent As(1)Ba5Sn octahedra, corners with four equivalent As(2)Ba5Sn octahedra,  an edgeedge with one As(2)Ba5Sn octahedra, edges with two equivalent As(4)Ba4Sn2 octahedra, edges with two equivalent As(1)Ba5Sn octahedra, and edges with three equivalent As(3)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 6-93°. In the second As site, As(1) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form AsBa5Sn octahedra that share corners with two equivalent As(4)Ba4Sn2 octahedra, corners with two equivalent As(2)Ba5Sn octahedra, corners with three equivalent As(3)Ba4Sn2 octahedra, edges with two equivalent As(3)Ba4Sn2 octahedra, edges with two equivalent As(4)Ba4Sn2 octahedra, edges with two equivalent As(1)Ba5Sn octahedra, and edges with four equivalent As(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 3-93°. In the third As site, As(2) is bonded to one Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form AsBa5Sn octahedra that share  a cornercorner with one As(3)Ba4Sn2 octahedra, corners with two equivalent As(1)Ba5Sn octahedra, corners with four equivalent As(4)Ba4Sn2 octahedra,  an edgeedge with one As(4)Ba4Sn2 octahedra, edges with two equivalent As(2)Ba5Sn octahedra, edges with three equivalent As(3)Ba4Sn2 octahedra, and edges with four equivalent As(1)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 3-83°. In the fourth As site, As(3) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Sn(1), and one Sn(2) atom to form AsBa4Sn2 octahedra that share  a cornercorner with one As(2)Ba5Sn octahedra, corners with two equivalent As(3)Ba4Sn2 octahedra, corners with two equivalent As(4)Ba4Sn2 octahedra, corners with three equivalent As(1)Ba5Sn octahedra, edges with two equivalent As(1)Ba5Sn octahedra, edges with three equivalent As(4)Ba4Sn2 octahedra, and edges with three equivalent As(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 7-92°. is represented by the CIF card [CIF]
data_Ba3(SnAs2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.070
_cell_length_b   8.019
_cell_length_c   8.162
_cell_angle_alpha   67.681
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1215.242
_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
  Ba  Ba0  1  0.317  0.009  0.787  1.0
  Ba  Ba1  1  0.817  0.491  0.213  1.0
  Ba  Ba2  1  0.683  0.991  0.213  1.0
  Ba  Ba3  1  0.183  0.509  0.787  1.0
  Ba  Ba4  1  0.440  0.994  0.262  1.0
  Ba  Ba5  1  0.940  0.506  0.738  1.0
  Ba  Ba6  1  0.560  0.006  0.738  1.0
  Ba  Ba7  1  0.060  0.494  0.262  1.0
  Ba  Ba8  1  0.436  0.512  0.742  1.0
  Ba  Ba9  1  0.936  0.988  0.258  1.0
  Ba  Ba10  1  0.564  0.488  0.258  1.0
  Ba  Ba11  1  0.064  0.012  0.742  1.0
  Sn  Sn12  1  0.624  0.525  0.789  1.0
  Sn  Sn13  1  0.124  0.975  0.211  1.0
  Sn  Sn14  1  0.376  0.475  0.211  1.0
  Sn  Sn15  1  0.876  0.025  0.789  1.0
  Sn  Sn16  1  0.742  0.401  0.685  1.0
  Sn  Sn17  1  0.758  0.901  0.685  1.0
  Sn  Sn18  1  0.258  0.599  0.315  1.0
  Sn  Sn19  1  0.242  0.099  0.315  1.0
  As  As20  1  0.435  0.255  0.496  1.0
  As  As21  1  0.935  0.245  0.504  1.0
  As  As22  1  0.565  0.745  0.504  1.0
  As  As23  1  0.065  0.755  0.496  1.0
  As  As24  1  0.445  0.749  0.002  1.0
  As  As25  1  0.945  0.751  0.998  1.0
  As  As26  1  0.555  0.251  0.998  1.0
  As  As27  1  0.055  0.249  0.002  1.0
  As  As28  1  0.183  0.784  0.038  1.0
  As  As29  1  0.683  0.716  0.962  1.0
  As  As30  1  0.817  0.216  0.962  1.0
  As  As31  1  0.317  0.284  0.038  1.0
  As  As32  1  0.800  0.715  0.491  1.0
  As  As33  1  0.700  0.215  0.491  1.0
  As  As34  1  0.200  0.285  0.509  1.0
  As  As35  1  0.300  0.785  0.509  1.0
[/CIF]
.