The material structure described by Ba3P2 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(1), one P(2), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), and four equivalent Ba(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and four equivalent Ba(2) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and three equivalent Ba(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.702
_cell_length_b   9.897
_cell_length_c   9.897
_cell_angle_alpha   89.997
_cell_angle_beta   54.714
_cell_angle_gamma   54.714
_symmetry_Int_Tables_number   1
_cell_volume   1452.155
_cell_formula_units_Z   8
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  0.046  0.992  0.370  1.0
  Ba  Ba1  1  0.136  0.478  0.985  1.0
  Ba  Ba2  1  0.046  0.370  0.491  1.0
  Ba  Ba3  1  0.287  0.130  0.130  1.0
  Ba  Ba4  1  0.287  0.508  0.009  1.0
  Ba  Ba5  1  0.136  0.613  0.605  1.0
  Ba  Ba6  1  0.197  0.022  0.895  1.0
  Ba  Ba7  1  0.379  0.019  0.347  1.0
  Ba  Ba8  1  0.197  0.887  0.515  1.0
  Ba  Ba9  1  0.454  0.484  0.981  1.0
  Ba  Ba10  1  0.379  0.345  0.516  1.0
  Ba  Ba11  1  0.636  0.105  0.113  1.0
  Ba  Ba12  1  0.636  0.485  0.978  1.0
  Ba  Ba13  1  0.454  0.653  0.655  1.0
  Ba  Ba14  1  0.546  0.991  0.870  1.0
  Ba  Ba15  1  0.697  0.015  0.387  1.0
  Ba  Ba16  1  0.546  0.870  0.492  1.0
  Ba  Ba17  1  0.787  0.509  0.008  1.0
  Ba  Ba18  1  0.697  0.395  0.522  1.0
  Ba  Ba19  1  0.954  0.155  0.153  1.0
  Ba  Ba20  1  0.954  0.481  0.984  1.0
  Ba  Ba21  1  0.787  0.630  0.630  1.0
  Ba  Ba22  1  0.879  0.016  0.845  1.0
  Ba  Ba23  1  0.879  0.847  0.519  1.0
  P  P24  1  0.087  0.619  0.369  1.0
  P  P25  1  0.167  0.250  0.628  1.0
  P  P26  1  0.246  0.881  0.131  1.0
  P  P27  1  0.340  0.379  0.251  1.0
  P  P28  1  0.167  0.750  0.872  1.0
  P  P29  1  0.340  0.101  0.729  1.0
  P  P30  1  0.493  0.272  0.621  1.0
  P  P31  1  0.667  0.372  0.250  1.0
  P  P32  1  0.587  0.869  0.119  1.0
  P  P33  1  0.493  0.749  0.899  1.0
  P  P34  1  0.667  0.128  0.750  1.0
  P  P35  1  0.746  0.631  0.381  1.0
  P  P36  1  0.840  0.229  0.601  1.0
  P  P37  1  0.993  0.399  0.249  1.0
  P  P38  1  0.840  0.751  0.879  1.0
  P  P39  1  0.993  0.121  0.772  1.0
[/CIF]
.
The material structure described by Ba3P2 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(1), one P(2), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), and four equivalent Ba(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and four equivalent Ba(2) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and three equivalent Ba(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.702
_cell_length_b   9.897
_cell_length_c   9.897
_cell_angle_alpha   89.997
_cell_angle_beta   54.714
_cell_angle_gamma   54.714
_symmetry_Int_Tables_number   1
_cell_volume   1452.155
_cell_formula_units_Z   8
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  0.046  0.992  0.370  1.0
  Ba  Ba1  1  0.136  0.478  0.985  1.0
  Ba  Ba2  1  0.046  0.370  0.491  1.0
  Ba  Ba3  1  0.287  0.130  0.130  1.0
  Ba  Ba4  1  0.287  0.508  0.009  1.0
  Ba  Ba5  1  0.136  0.613  0.605  1.0
  Ba  Ba6  1  0.197  0.022  0.895  1.0
  Ba  Ba7  1  0.379  0.019  0.347  1.0
  Ba  Ba8  1  0.197  0.887  0.515  1.0
  Ba  Ba9  1  0.454  0.484  0.981  1.0
  Ba  Ba10  1  0.379  0.345  0.516  1.0
  Ba  Ba11  1  0.636  0.105  0.113  1.0
  Ba  Ba12  1  0.636  0.485  0.978  1.0
  Ba  Ba13  1  0.454  0.653  0.655  1.0
  Ba  Ba14  1  0.546  0.991  0.870  1.0
  Ba  Ba15  1  0.697  0.015  0.387  1.0
  Ba  Ba16  1  0.546  0.870  0.492  1.0
  Ba  Ba17  1  0.787  0.509  0.008  1.0
  Ba  Ba18  1  0.697  0.395  0.522  1.0
  Ba  Ba19  1  0.954  0.155  0.153  1.0
  Ba  Ba20  1  0.954  0.481  0.984  1.0
  Ba  Ba21  1  0.787  0.630  0.630  1.0
  Ba  Ba22  1  0.879  0.016  0.845  1.0
  Ba  Ba23  1  0.879  0.847  0.519  1.0
  P  P24  1  0.087  0.619  0.369  1.0
  P  P25  1  0.167  0.250  0.628  1.0
  P  P26  1  0.246  0.881  0.131  1.0
  P  P27  1  0.340  0.379  0.251  1.0
  P  P28  1  0.167  0.750  0.872  1.0
  P  P29  1  0.340  0.101  0.729  1.0
  P  P30  1  0.493  0.272  0.621  1.0
  P  P31  1  0.667  0.372  0.250  1.0
  P  P32  1  0.587  0.869  0.119  1.0
  P  P33  1  0.493  0.749  0.899  1.0
  P  P34  1  0.667  0.128  0.750  1.0
  P  P35  1  0.746  0.631  0.381  1.0
  P  P36  1  0.840  0.229  0.601  1.0
  P  P37  1  0.993  0.399  0.249  1.0
  P  P38  1  0.840  0.751  0.879  1.0
  P  P39  1  0.993  0.121  0.772  1.0
[/CIF]
.