data_Al2SiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   9.5
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiP5
_chemical_formula_sum   'Al8 Si4 P20'
_cell_volume   695.73
_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
  Al  Al0  1  0.0  0.0  0.51  1.0
  Al  Al1  1  0.57  0.75  0.49  1.0
  Al  Al2  1  0.0  0.0  0.49  1.0
  Al  Al3  1  0.57  0.75  0.52  1.0
  Al  Al4  1  0.16  0.23  0.0  1.0
  Al  Al5  1  0.99  0.27  0.0  1.0
  Al  Al6  1  0.58  0.52  0.0  1.0
  Al  Al7  1  0.56  0.98  0.0  1.0
  Si  Si28  1  0.24  0.37  0.0  1.0
  Si  Si29  1  0.91  0.13  0.0  1.0
  Si  Si30  1  0.67  0.38  0.0  1.0
  Si  Si31  1  0.48  0.12  0.0  1.0
  P  P8  1  0.53  0.61  0.0  1.0
  P  P9  1  0.62  0.89  0.0  1.0
  P  P10  1  0.96  0.14  0.0  1.0
  P  P11  1  0.19  0.36  0.0  1.0
  P  P12  1  0.77  0.79  0.0  1.0
  P  P13  1  0.38  0.71  0.0  1.0
  P  P14  1  0.2  0.96  0.0  1.0
  P  P15  1  0.95  0.53  0.0  1.0
  P  P16  1  0.73  0.28  0.0  1.0
  P  P17  1  0.42  0.22  0.0  1.0
  P  P18  1  0.16  0.47  0.0  1.0
  P  P19  1  0.99  0.03  0.0  1.0
  P  P20  1  0.8  0.15  0.62  1.0
  P  P21  1  0.34  0.35  0.62  1.0
  P  P22  1  0.23  0.6  0.39  1.0
  P  P23  1  0.92  0.9  0.39  1.0
  P  P24  1  0.34  0.35  0.39  1.0
  P  P25  1  0.8  0.15  0.39  1.0
  P  P26  1  0.92  0.9  0.62  1.0
  P  P27  1  0.23  0.6  0.62  1.0

data_Al2SiP5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   9.15
_cell_length_b   8.01
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2SiP5
_chemical_formula_sum   'Al8 Si4 P20'
_cell_volume   695.73
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  2  0.0  0.49  0.0  1.0
  Al  Al1  2  0.57  0.49  0.75  1.0
  Al  Al2  1  0.16  0.0  0.23  1.0
  Al  Al3  1  0.56  0.0  0.98  1.0
  Al  Al4  1  0.58  0.0  0.52  1.0
  Al  Al5  1  0.99  0.0  0.27  1.0
  Si  Si6  1  0.24  0.0  0.37  1.0
  Si  Si7  1  0.48  0.0  0.12  1.0
  Si  Si8  1  0.67  0.0  0.38  1.0
  Si  Si9  1  0.91  0.0  0.13  1.0
  P  P10  2  0.23  0.39  0.6  1.0
  P  P11  2  0.34  0.38  0.35  1.0
  P  P12  2  0.8  0.38  0.15  1.0
  P  P13  2  0.92  0.39  0.9  1.0
  P  P14  1  0.16  0.0  0.47  1.0
  P  P15  1  0.19  0.0  0.36  1.0
  P  P16  1  0.2  0.0  0.96  1.0
  P  P17  1  0.38  0.0  0.71  1.0
  P  P18  1  0.42  0.0  0.22  1.0
  P  P19  1  0.53  0.0  0.61  1.0
  P  P20  1  0.62  0.0  0.89  1.0
  P  P21  1  0.73  0.0  0.28  1.0
  P  P22  1  0.77  0.0  0.79  1.0
  P  P23  1  0.95  0.0  0.53  1.0
  P  P24  1  0.96  0.0  0.14  1.0
  P  P25  1  0.99  0.0  0.03  1.0

Al Al Al Al Al Al Al Al Si Si Si Si P P P P P P P P P P P P P P P P P P P P
AlAlP2(AlSiP3)2(P)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one aluminum molecule, one AlP2 cluster, three AlSiP3 clusters, and one P cluster. In the AlP2 cluster, there are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 120 degrees geometry to one Al(3), one P(13), and one P(19) atom. The Al(1)-Al(3) bond length is 0.14 Å. The Al(1)-P(13) bond length is 2.45 Å. The Al(1)-P(19) bond length is 1.49 Å. In the second Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to one Al(1), one P(16), and one P(18) atom. The Al(3)-P(16) bond length is 1.49 Å. The Al(3)-P(18) bond length is 2.45 Å. There are four inequivalent P sites. In the first P site, P(13) is bonded in a 3-coordinate geometry to one Al(1), one P(18), and one P(19) atom. The P(13)-P(18) bond length is 1.83 Å. The P(13)-P(19) bond length is 2.60 Å. In the second P site, P(16) is bonded in a single-bond geometry to one Al(3) and one P(18) atom. The P(16)-P(18) bond length is 2.60 Å. In the third P site, P(18) is bonded in a 3-coordinate geometry to one Al(3), one P(13), and one P(16) atom. In the fourth P site, P(19) is bonded in a single-bond geometry to one Al(1) and one P(13) atom. In one of the AlSiP3 clusters, Al(5,6) is bonded in a single-bond geometry to one P(3,4) and one P(7,8) atom. The Al(5,6)-P(3,4) bond length is 1.30 Å. The Al(5,6)-P(7,8) bond length is 2.52 Å. Si(1,2) is bonded in a single-bond geometry to one P(11,12) and one P(3,4) atom. The Si(1,2)-P(11,12) bond length is 1.22 Å. The Si(1,2)-P(3,4) bond length is 0.48 Å. There are three inequivalent P sites. In the first P site, P(3,4) is bonded in a distorted single-bond geometry to one Al(5,6); one Si(1,2); and one P(11,12) atom. The P(3,4)-P(11,12) bond length is 1.11 Å. In the second P site, P(7,8) is bonded in a 2-coordinate geometry to one Al(5,6) and one P(11,12) atom. The P(7,8)-P(11,12) bond length is 1.96 Å. In the third P site, P(11,12) is bonded in a 3-coordinate geometry to one Si(1,2); one P(3,4); and one P(7,8) atom. In two of the AlSiP3 clusters, Al(7,8) is bonded in a distorted linear geometry to one Si(3,4) and one P(1,2) atom. The Al(7,8)-Si(3,4) bond length is 1.58 Å. The Al(7,8)-P(1,2) bond length is 0.96 Å. Si(3,4) is bonded in a distorted linear geometry to one Al(7,8) and one P(9,10) atom. The Si(3,4)-P(9,10) bond length is 1.11 Å. There are three inequivalent P sites. In the first P site, P(1,2) is bonded in a single-bond geometry to one Al(7,8) and one P(5,6) atom. The P(1,2)-P(5,6) bond length is 1.70 Å. In the second P site, P(5,6) is bonded in a single-bond geometry to one P(1,2) atom. In the third P site, P(9,10) is bonded in a distorted single-bond geometry to one Si(3,4) atom. In the P cluster, there are two inequivalent P sites. In the first P site, P(14,17) is bonded in an L-shaped geometry to one P(14,17) and one P(15,20) atom. The P(14,17)-P(14,17) bond length is 1.83 Å. The P(14,17)-P(15,20) bond length is 2.60 Å. In the second P site, P(15,20) is bonded in an L-shaped geometry to one P(14,17) and one P(15,20) atom. The P(15,20)-P(15,20) bond length is 1.89 Å.