The material structure described by Ba3SnP3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one P(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), three equivalent Ba(2), and one Sn(1) atom. In the third P site, P(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SnP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.869
_cell_length_b   8.704
_cell_length_c   8.925
_cell_angle_alpha   65.730
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   911.323
_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  0.931  0.799  0.731  1.0
  Ba  Ba1  1  0.431  0.701  0.269  1.0
  Ba  Ba2  1  0.069  0.201  0.269  1.0
  Ba  Ba3  1  0.569  0.299  0.731  1.0
  Ba  Ba4  1  0.794  0.322  0.058  1.0
  Ba  Ba5  1  0.294  0.178  0.942  1.0
  Ba  Ba6  1  0.206  0.678  0.942  1.0
  Ba  Ba7  1  0.706  0.822  0.058  1.0
  Ba  Ba8  1  0.334  0.992  0.502  1.0
  Ba  Ba9  1  0.834  0.508  0.498  1.0
  Ba  Ba10  1  0.666  0.008  0.498  1.0
  Ba  Ba11  1  0.166  0.492  0.502  1.0
  Sn  Sn12  1  0.006  0.861  0.166  1.0
  Sn  Sn13  1  0.506  0.639  0.834  1.0
  Sn  Sn14  1  0.994  0.139  0.834  1.0
  Sn  Sn15  1  0.494  0.361  0.166  1.0
  P  P16  1  0.803  0.125  0.756  1.0
  P  P17  1  0.303  0.375  0.244  1.0
  P  P18  1  0.197  0.875  0.244  1.0
  P  P19  1  0.697  0.625  0.756  1.0
  P  P20  1  0.031  0.419  0.842  1.0
  P  P21  1  0.531  0.081  0.158  1.0
  P  P22  1  0.969  0.581  0.158  1.0
  P  P23  1  0.469  0.919  0.842  1.0
  P  P24  1  0.632  0.433  0.333  1.0
  P  P25  1  0.132  0.067  0.667  1.0
  P  P26  1  0.368  0.567  0.667  1.0
  P  P27  1  0.868  0.933  0.333  1.0
[/CIF]
.
The material structure described by Ba3SnP3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one P(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), three equivalent Ba(2), and one Sn(1) atom. In the third P site, P(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3SnP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.869
_cell_length_b   8.704
_cell_length_c   8.925
_cell_angle_alpha   65.730
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   911.323
_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  0.931  0.799  0.731  1.0
  Ba  Ba1  1  0.431  0.701  0.269  1.0
  Ba  Ba2  1  0.069  0.201  0.269  1.0
  Ba  Ba3  1  0.569  0.299  0.731  1.0
  Ba  Ba4  1  0.794  0.322  0.058  1.0
  Ba  Ba5  1  0.294  0.178  0.942  1.0
  Ba  Ba6  1  0.206  0.678  0.942  1.0
  Ba  Ba7  1  0.706  0.822  0.058  1.0
  Ba  Ba8  1  0.334  0.992  0.502  1.0
  Ba  Ba9  1  0.834  0.508  0.498  1.0
  Ba  Ba10  1  0.666  0.008  0.498  1.0
  Ba  Ba11  1  0.166  0.492  0.502  1.0
  Sn  Sn12  1  0.006  0.861  0.166  1.0
  Sn  Sn13  1  0.506  0.639  0.834  1.0
  Sn  Sn14  1  0.994  0.139  0.834  1.0
  Sn  Sn15  1  0.494  0.361  0.166  1.0
  P  P16  1  0.803  0.125  0.756  1.0
  P  P17  1  0.303  0.375  0.244  1.0
  P  P18  1  0.197  0.875  0.244  1.0
  P  P19  1  0.697  0.625  0.756  1.0
  P  P20  1  0.031  0.419  0.842  1.0
  P  P21  1  0.531  0.081  0.158  1.0
  P  P22  1  0.969  0.581  0.158  1.0
  P  P23  1  0.469  0.919  0.842  1.0
  P  P24  1  0.632  0.433  0.333  1.0
  P  P25  1  0.132  0.067  0.667  1.0
  P  P26  1  0.368  0.567  0.667  1.0
  P  P27  1  0.868  0.933  0.333  1.0
[/CIF]
.