The material structure described by BaP8 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to one P(1), one P(2), one P(3), one P(4), one P(6), one P(8), two equivalent P(7), and three equivalent P(5) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one Ba(1), one P(6), one P(7), and one P(8) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(8)BaP3 trigonal pyramid. In the second P site, P(2) is bonded to one Ba(1), one P(2), one P(3), and one P(5) atom to form distorted PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra,  a cornercorner with one P(1)BaP3 trigonal pyramid, and  a cornercorner with one P(8)BaP3 trigonal pyramid. In the third P site, P(3) is bonded to one Ba(1), one P(2), one P(4), and one P(7) atom to form PBaP3 tetrahedra that share corners with two equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with two equivalent P(2)BaP3 trigonal pyramids, and corners with two equivalent P(8)BaP3 trigonal pyramids. In the fourth P site, P(4) is bonded to one Ba(1), one P(3), one P(4), and one P(8) atom to form PBaP3 tetrahedra that share corners with two equivalent P(3)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with two equivalent P(2)BaP3 trigonal pyramids, and corners with two equivalent P(8)BaP3 trigonal pyramids. In the fifth P site, P(5) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one P(2), and one P(6) atom. In the sixth P site, P(6) is bonded in a rectangular see-saw-like geometry to one Ba(1), one P(1), one P(5), and one P(8) atom. In the seventh P site, P(7) is bonded to two equivalent Ba(1), one P(1), and one P(3) atom to form PBa2P2 tetrahedra that share corners with two equivalent P(3)BaP3 tetrahedra, corners with three equivalent P(4)BaP3 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with three equivalent P(2)BaP3 trigonal pyramids, corners with three equivalent P(8)BaP3 trigonal pyramids, and  an edgeedge with one P(7)Ba2P2 tetrahedra. In the eighth P site, P(8) is bonded to one Ba(1), one P(1), one P(4), and one P(6) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(1)BaP3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.842
_cell_length_b   7.320
_cell_length_c   8.668
_cell_angle_alpha   86.524
_cell_angle_beta   83.844
_cell_angle_gamma   70.305
_symmetry_Int_Tables_number   1
_cell_volume   406.246
_cell_formula_units_Z   2
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  0.737  0.665  0.319  1.0
  Ba  Ba1  1  0.263  0.335  0.681  1.0
  P  P2  1  0.478  0.669  0.798  1.0
  P  P3  1  0.522  0.331  0.202  1.0
  P  P4  1  0.011  0.043  0.618  1.0
  P  P5  1  0.989  0.957  0.382  1.0
  P  P6  1  0.091  0.180  0.241  1.0
  P  P7  1  0.909  0.820  0.759  1.0
  P  P8  1  0.142  0.047  0.004  1.0
  P  P9  1  0.858  0.953  0.996  1.0
  P  P10  1  0.235  0.677  0.394  1.0
  P  P11  1  0.765  0.323  0.606  1.0
  P  P12  1  0.239  0.580  0.157  1.0
  P  P13  1  0.761  0.420  0.843  1.0
  P  P14  1  0.395  0.124  0.325  1.0
  P  P15  1  0.605  0.876  0.675  1.0
  P  P16  1  0.401  0.774  0.039  1.0
  P  P17  1  0.599  0.226  0.961  1.0
[/CIF]
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The material structure described by BaP8 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 11-coordinate geometry to one P(1), one P(2), one P(3), one P(4), one P(6), one P(8), two equivalent P(7), and three equivalent P(5) atoms. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one Ba(1), one P(6), one P(7), and one P(8) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(8)BaP3 trigonal pyramid. In the second P site, P(2) is bonded to one Ba(1), one P(2), one P(3), and one P(5) atom to form distorted PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra,  a cornercorner with one P(1)BaP3 trigonal pyramid, and  a cornercorner with one P(8)BaP3 trigonal pyramid. In the third P site, P(3) is bonded to one Ba(1), one P(2), one P(4), and one P(7) atom to form PBaP3 tetrahedra that share corners with two equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with two equivalent P(2)BaP3 trigonal pyramids, and corners with two equivalent P(8)BaP3 trigonal pyramids. In the fourth P site, P(4) is bonded to one Ba(1), one P(3), one P(4), and one P(8) atom to form PBaP3 tetrahedra that share corners with two equivalent P(3)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with two equivalent P(2)BaP3 trigonal pyramids, and corners with two equivalent P(8)BaP3 trigonal pyramids. In the fifth P site, P(5) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one P(2), and one P(6) atom. In the sixth P site, P(6) is bonded in a rectangular see-saw-like geometry to one Ba(1), one P(1), one P(5), and one P(8) atom. In the seventh P site, P(7) is bonded to two equivalent Ba(1), one P(1), and one P(3) atom to form PBa2P2 tetrahedra that share corners with two equivalent P(3)BaP3 tetrahedra, corners with three equivalent P(4)BaP3 tetrahedra, corners with two equivalent P(1)BaP3 trigonal pyramids, corners with three equivalent P(2)BaP3 trigonal pyramids, corners with three equivalent P(8)BaP3 trigonal pyramids, and  an edgeedge with one P(7)Ba2P2 tetrahedra. In the eighth P site, P(8) is bonded to one Ba(1), one P(1), one P(4), and one P(6) atom to form PBaP3 trigonal pyramids that share corners with two equivalent P(3)BaP3 tetrahedra, corners with two equivalent P(4)BaP3 tetrahedra, corners with three equivalent P(7)Ba2P2 tetrahedra,  a cornercorner with one P(2)BaP3 trigonal pyramid, and  an edgeedge with one P(1)BaP3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaP8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.842
_cell_length_b   7.320
_cell_length_c   8.668
_cell_angle_alpha   86.524
_cell_angle_beta   83.844
_cell_angle_gamma   70.305
_symmetry_Int_Tables_number   1
_cell_volume   406.246
_cell_formula_units_Z   2
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  0.737  0.665  0.319  1.0
  Ba  Ba1  1  0.263  0.335  0.681  1.0
  P  P2  1  0.478  0.669  0.798  1.0
  P  P3  1  0.522  0.331  0.202  1.0
  P  P4  1  0.011  0.043  0.618  1.0
  P  P5  1  0.989  0.957  0.382  1.0
  P  P6  1  0.091  0.180  0.241  1.0
  P  P7  1  0.909  0.820  0.759  1.0
  P  P8  1  0.142  0.047  0.004  1.0
  P  P9  1  0.858  0.953  0.996  1.0
  P  P10  1  0.235  0.677  0.394  1.0
  P  P11  1  0.765  0.323  0.606  1.0
  P  P12  1  0.239  0.580  0.157  1.0
  P  P13  1  0.761  0.420  0.843  1.0
  P  P14  1  0.395  0.124  0.325  1.0
  P  P15  1  0.605  0.876  0.675  1.0
  P  P16  1  0.401  0.774  0.039  1.0
  P  P17  1  0.599  0.226  0.961  1.0
[/CIF]
.