The material structure described by Ba3(SnP2)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 P(1), one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second Ba site, Ba(2) is bonded to one P(2), one P(3), two equivalent P(1), and two equivalent P(4) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Ba site, Ba(3) is bonded to one P(1), one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one P(1) and two equivalent P(4) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one P(3) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Sn(1), and one Sn(2) atom to form PBa4Sn2 octahedra that share  a cornercorner with one P(3)Ba5Sn octahedra, corners with two equivalent P(1)Ba4Sn2 octahedra, corners with two equivalent P(4)Ba4Sn2 octahedra, corners with three equivalent P(2)Ba5Sn octahedra, edges with two equivalent P(2)Ba5Sn octahedra, edges with three equivalent P(4)Ba4Sn2 octahedra, and edges with three equivalent P(3)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 8-93°. In the second P site, P(2) is bonded to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and one Sn(2) atom to form PBa5Sn octahedra that share corners with two equivalent P(4)Ba4Sn2 octahedra, corners with two equivalent P(3)Ba5Sn octahedra, corners with three equivalent P(1)Ba4Sn2 octahedra, edges with two equivalent P(1)Ba4Sn2 octahedra, edges with two equivalent P(4)Ba4Sn2 octahedra, edges with two equivalent P(2)Ba5Sn octahedra, and edges with four equivalent P(3)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 4-94°. In the third P site, P(3) is bonded to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and one Sn(2) atom to form PBa5Sn octahedra that share  a cornercorner with one P(1)Ba4Sn2 octahedra, corners with two equivalent P(2)Ba5Sn octahedra, corners with four equivalent P(4)Ba4Sn2 octahedra,  an edgeedge with one P(4)Ba4Sn2 octahedra, edges with two equivalent P(3)Ba5Sn octahedra, edges with three equivalent P(1)Ba4Sn2 octahedra, and edges with four equivalent P(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 4-82°. In the fourth P site, P(4) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Sn(1) atoms to form PBa4Sn2 octahedra that share corners with two equivalent P(1)Ba4Sn2 octahedra, corners with two equivalent P(2)Ba5Sn octahedra, corners with four equivalent P(3)Ba5Sn octahedra,  an edgeedge with one P(3)Ba5Sn octahedra, edges with two equivalent P(4)Ba4Sn2 octahedra, edges with two equivalent P(2)Ba5Sn octahedra, and edges with three equivalent P(1)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 6-94°. is represented by the CIF card [CIF]
data_Ba3(SnP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.674
_cell_length_b   7.808
_cell_length_c   7.988
_cell_angle_alpha   67.481
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1133.476
_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  0.059  0.009  0.737  1.0
  Ba  Ba1  1  0.441  0.509  0.737  1.0
  Ba  Ba2  1  0.317  0.493  0.209  1.0
  Ba  Ba3  1  0.566  0.012  0.740  1.0
  Ba  Ba4  1  0.559  0.491  0.263  1.0
  Ba  Ba5  1  0.066  0.488  0.260  1.0
  Ba  Ba6  1  0.941  0.991  0.263  1.0
  Ba  Ba7  1  0.934  0.512  0.740  1.0
  Ba  Ba8  1  0.817  0.007  0.791  1.0
  Ba  Ba9  1  0.434  0.988  0.260  1.0
  Ba  Ba10  1  0.683  0.507  0.791  1.0
  Ba  Ba11  1  0.183  0.993  0.209  1.0
  Sn  Sn12  1  0.758  0.607  0.316  1.0
  Sn  Sn13  1  0.122  0.522  0.790  1.0
  Sn  Sn14  1  0.378  0.022  0.790  1.0
  Sn  Sn15  1  0.258  0.893  0.684  1.0
  Sn  Sn16  1  0.622  0.978  0.210  1.0
  Sn  Sn17  1  0.878  0.478  0.210  1.0
  Sn  Sn18  1  0.242  0.393  0.684  1.0
  Sn  Sn19  1  0.742  0.107  0.316  1.0
  P  P20  1  0.318  0.213  0.955  1.0
  P  P21  1  0.935  0.259  0.491  1.0
  P  P22  1  0.818  0.287  0.045  1.0
  P  P23  1  0.446  0.755  0.997  1.0
  P  P24  1  0.203  0.208  0.494  1.0
  P  P25  1  0.065  0.741  0.509  1.0
  P  P26  1  0.797  0.792  0.506  1.0
  P  P27  1  0.703  0.292  0.506  1.0
  P  P28  1  0.946  0.745  0.003  1.0
  P  P29  1  0.565  0.759  0.491  1.0
  P  P30  1  0.435  0.241  0.509  1.0
  P  P31  1  0.182  0.713  0.955  1.0
  P  P32  1  0.054  0.255  0.997  1.0
  P  P33  1  0.682  0.787  0.045  1.0
  P  P34  1  0.554  0.245  0.003  1.0
  P  P35  1  0.297  0.708  0.494  1.0
[/CIF]
.
The material structure described by Ba3(SnP2)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 P(1), one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second Ba site, Ba(2) is bonded to one P(2), one P(3), two equivalent P(1), and two equivalent P(4) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Ba site, Ba(3) is bonded to one P(1), one P(4), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted corner and edge-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one P(1) and two equivalent P(4) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one P(3) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Sn(1), and one Sn(2) atom to form PBa4Sn2 octahedra that share  a cornercorner with one P(3)Ba5Sn octahedra, corners with two equivalent P(1)Ba4Sn2 octahedra, corners with two equivalent P(4)Ba4Sn2 octahedra, corners with three equivalent P(2)Ba5Sn octahedra, edges with two equivalent P(2)Ba5Sn octahedra, edges with three equivalent P(4)Ba4Sn2 octahedra, and edges with three equivalent P(3)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 8-93°. In the second P site, P(2) is bonded to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and one Sn(2) atom to form PBa5Sn octahedra that share corners with two equivalent P(4)Ba4Sn2 octahedra, corners with two equivalent P(3)Ba5Sn octahedra, corners with three equivalent P(1)Ba4Sn2 octahedra, edges with two equivalent P(1)Ba4Sn2 octahedra, edges with two equivalent P(4)Ba4Sn2 octahedra, edges with two equivalent P(2)Ba5Sn octahedra, and edges with four equivalent P(3)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 4-94°. In the third P site, P(3) is bonded to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and one Sn(2) atom to form PBa5Sn octahedra that share  a cornercorner with one P(1)Ba4Sn2 octahedra, corners with two equivalent P(2)Ba5Sn octahedra, corners with four equivalent P(4)Ba4Sn2 octahedra,  an edgeedge with one P(4)Ba4Sn2 octahedra, edges with two equivalent P(3)Ba5Sn octahedra, edges with three equivalent P(1)Ba4Sn2 octahedra, and edges with four equivalent P(2)Ba5Sn octahedra. The corner-sharing octahedral tilt angles range from 4-82°. In the fourth P site, P(4) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), and two equivalent Sn(1) atoms to form PBa4Sn2 octahedra that share corners with two equivalent P(1)Ba4Sn2 octahedra, corners with two equivalent P(2)Ba5Sn octahedra, corners with four equivalent P(3)Ba5Sn octahedra,  an edgeedge with one P(3)Ba5Sn octahedra, edges with two equivalent P(4)Ba4Sn2 octahedra, edges with two equivalent P(2)Ba5Sn octahedra, and edges with three equivalent P(1)Ba4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 6-94°. is represented by the CIF card [CIF]
data_Ba3(SnP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.674
_cell_length_b   7.808
_cell_length_c   7.988
_cell_angle_alpha   67.481
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1133.476
_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  0.059  0.009  0.737  1.0
  Ba  Ba1  1  0.441  0.509  0.737  1.0
  Ba  Ba2  1  0.317  0.493  0.209  1.0
  Ba  Ba3  1  0.566  0.012  0.740  1.0
  Ba  Ba4  1  0.559  0.491  0.263  1.0
  Ba  Ba5  1  0.066  0.488  0.260  1.0
  Ba  Ba6  1  0.941  0.991  0.263  1.0
  Ba  Ba7  1  0.934  0.512  0.740  1.0
  Ba  Ba8  1  0.817  0.007  0.791  1.0
  Ba  Ba9  1  0.434  0.988  0.260  1.0
  Ba  Ba10  1  0.683  0.507  0.791  1.0
  Ba  Ba11  1  0.183  0.993  0.209  1.0
  Sn  Sn12  1  0.758  0.607  0.316  1.0
  Sn  Sn13  1  0.122  0.522  0.790  1.0
  Sn  Sn14  1  0.378  0.022  0.790  1.0
  Sn  Sn15  1  0.258  0.893  0.684  1.0
  Sn  Sn16  1  0.622  0.978  0.210  1.0
  Sn  Sn17  1  0.878  0.478  0.210  1.0
  Sn  Sn18  1  0.242  0.393  0.684  1.0
  Sn  Sn19  1  0.742  0.107  0.316  1.0
  P  P20  1  0.318  0.213  0.955  1.0
  P  P21  1  0.935  0.259  0.491  1.0
  P  P22  1  0.818  0.287  0.045  1.0
  P  P23  1  0.446  0.755  0.997  1.0
  P  P24  1  0.203  0.208  0.494  1.0
  P  P25  1  0.065  0.741  0.509  1.0
  P  P26  1  0.797  0.792  0.506  1.0
  P  P27  1  0.703  0.292  0.506  1.0
  P  P28  1  0.946  0.745  0.003  1.0
  P  P29  1  0.565  0.759  0.491  1.0
  P  P30  1  0.435  0.241  0.509  1.0
  P  P31  1  0.182  0.713  0.955  1.0
  P  P32  1  0.054  0.255  0.997  1.0
  P  P33  1  0.682  0.787  0.045  1.0
  P  P34  1  0.554  0.245  0.003  1.0
  P  P35  1  0.297  0.708  0.494  1.0
[/CIF]
.