The structure described by Ba5P4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms to form corner-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one P(1), two equivalent P(2), and three equivalent P(3) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), four equivalent Ba(3), and one P(2) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), four equivalent Ba(2), and one P(1) atom. In the third P site, P(3) is bonded to one Ba(1), three equivalent Ba(2), and three equivalent Ba(3) atoms to form a mixture of distorted corner and edge-sharing PBa7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ba5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.430
_cell_length_b   8.516
_cell_length_c   16.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1200.524
_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  0.746  0.996  0.750  1.0
  Ba  Ba1  1  0.246  0.504  0.750  1.0
  Ba  Ba2  1  0.754  0.496  0.250  1.0
  Ba  Ba3  1  0.254  0.004  0.250  1.0
  Ba  Ba4  1  0.572  0.333  0.898  1.0
  Ba  Ba5  1  0.072  0.167  0.602  1.0
  Ba  Ba6  1  0.928  0.833  0.102  1.0
  Ba  Ba7  1  0.428  0.667  0.398  1.0
  Ba  Ba8  1  0.428  0.667  0.102  1.0
  Ba  Ba9  1  0.928  0.833  0.398  1.0
  Ba  Ba10  1  0.072  0.167  0.898  1.0
  Ba  Ba11  1  0.572  0.333  0.602  1.0
  Ba  Ba12  1  0.408  0.842  0.603  1.0
  Ba  Ba13  1  0.908  0.658  0.897  1.0
  Ba  Ba14  1  0.092  0.342  0.397  1.0
  Ba  Ba15  1  0.592  0.158  0.103  1.0
  Ba  Ba16  1  0.592  0.158  0.397  1.0
  Ba  Ba17  1  0.092  0.342  0.103  1.0
  Ba  Ba18  1  0.908  0.658  0.603  1.0
  Ba  Ba19  1  0.408  0.842  0.897  1.0
  P  P20  1  0.354  0.412  0.250  1.0
  P  P21  1  0.854  0.088  0.250  1.0
  P  P22  1  0.146  0.912  0.750  1.0
  P  P23  1  0.646  0.588  0.750  1.0
  P  P24  1  0.160  0.601  0.250  1.0
  P  P25  1  0.660  0.899  0.250  1.0
  P  P26  1  0.340  0.101  0.750  1.0
  P  P27  1  0.840  0.399  0.750  1.0
  P  P28  1  0.746  0.993  0.947  1.0
  P  P29  1  0.246  0.507  0.553  1.0
  P  P30  1  0.754  0.493  0.053  1.0
  P  P31  1  0.254  0.007  0.447  1.0
  P  P32  1  0.254  0.007  0.053  1.0
  P  P33  1  0.754  0.493  0.447  1.0
  P  P34  1  0.246  0.507  0.947  1.0
  P  P35  1  0.746  0.993  0.553  1.0
[/CIF]
.
The structure described by Ba5P4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms to form corner-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one P(1), two equivalent P(2), and three equivalent P(3) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), four equivalent Ba(3), and one P(2) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), four equivalent Ba(2), and one P(1) atom. In the third P site, P(3) is bonded to one Ba(1), three equivalent Ba(2), and three equivalent Ba(3) atoms to form a mixture of distorted corner and edge-sharing PBa7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ba5P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.430
_cell_length_b   8.516
_cell_length_c   16.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1200.524
_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  0.746  0.996  0.750  1.0
  Ba  Ba1  1  0.246  0.504  0.750  1.0
  Ba  Ba2  1  0.754  0.496  0.250  1.0
  Ba  Ba3  1  0.254  0.004  0.250  1.0
  Ba  Ba4  1  0.572  0.333  0.898  1.0
  Ba  Ba5  1  0.072  0.167  0.602  1.0
  Ba  Ba6  1  0.928  0.833  0.102  1.0
  Ba  Ba7  1  0.428  0.667  0.398  1.0
  Ba  Ba8  1  0.428  0.667  0.102  1.0
  Ba  Ba9  1  0.928  0.833  0.398  1.0
  Ba  Ba10  1  0.072  0.167  0.898  1.0
  Ba  Ba11  1  0.572  0.333  0.602  1.0
  Ba  Ba12  1  0.408  0.842  0.603  1.0
  Ba  Ba13  1  0.908  0.658  0.897  1.0
  Ba  Ba14  1  0.092  0.342  0.397  1.0
  Ba  Ba15  1  0.592  0.158  0.103  1.0
  Ba  Ba16  1  0.592  0.158  0.397  1.0
  Ba  Ba17  1  0.092  0.342  0.103  1.0
  Ba  Ba18  1  0.908  0.658  0.603  1.0
  Ba  Ba19  1  0.408  0.842  0.897  1.0
  P  P20  1  0.354  0.412  0.250  1.0
  P  P21  1  0.854  0.088  0.250  1.0
  P  P22  1  0.146  0.912  0.750  1.0
  P  P23  1  0.646  0.588  0.750  1.0
  P  P24  1  0.160  0.601  0.250  1.0
  P  P25  1  0.660  0.899  0.250  1.0
  P  P26  1  0.340  0.101  0.750  1.0
  P  P27  1  0.840  0.399  0.750  1.0
  P  P28  1  0.746  0.993  0.947  1.0
  P  P29  1  0.246  0.507  0.553  1.0
  P  P30  1  0.754  0.493  0.053  1.0
  P  P31  1  0.254  0.007  0.447  1.0
  P  P32  1  0.254  0.007  0.053  1.0
  P  P33  1  0.754  0.493  0.447  1.0
  P  P34  1  0.246  0.507  0.947  1.0
  P  P35  1  0.746  0.993  0.553  1.0
[/CIF]
.