The crystal structure described by Cs3AlP2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Al(2), one P(3), one P(4), and two equivalent P(2) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(4) atoms. In the third Cs site, Cs(3) is bonded in a 3-coordinate geometry to one Al(2), one P(2), and one P(4) atom. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one P(1), one P(3), and one P(4) atom. In the fifth Cs site, Cs(5) is bonded in a 5-coordinate geometry to one Al(1), two equivalent P(1), and two equivalent P(3) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to one Cs(5), one P(4), and two equivalent P(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one P(3), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(5), and two equivalent Al(2) atoms. In the second P site, P(2) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and two equivalent Al(1) atoms. In the third P site, P(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(5), two equivalent Cs(6), and one Al(2) atom. In the fourth P site, P(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), one Cs(6), two equivalent Cs(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3AlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.727
_cell_length_b   11.339
_cell_length_c   19.122
_cell_angle_alpha   79.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1862.927
_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
  Cs  Cs0  1  0.932  0.624  0.111  1.0
  Cs  Cs1  1  0.259  0.361  0.711  1.0
  Cs  Cs2  1  0.913  0.264  0.079  1.0
  Cs  Cs3  1  0.568  0.624  0.611  1.0
  Cs  Cs4  1  0.881  0.290  0.339  1.0
  Cs  Cs5  1  0.587  0.264  0.579  1.0
  Cs  Cs6  1  0.524  0.850  0.967  1.0
  Cs  Cs7  1  0.442  0.917  0.744  1.0
  Cs  Cs8  1  0.068  0.376  0.889  1.0
  Cs  Cs9  1  0.476  0.150  0.033  1.0
  Cs  Cs10  1  0.619  0.290  0.839  1.0
  Cs  Cs11  1  0.119  0.710  0.661  1.0
  Cs  Cs12  1  0.759  0.639  0.789  1.0
  Cs  Cs13  1  0.241  0.361  0.211  1.0
  Cs  Cs14  1  0.413  0.736  0.421  1.0
  Cs  Cs15  1  0.058  0.917  0.244  1.0
  Cs  Cs16  1  0.381  0.710  0.161  1.0
  Cs  Cs17  1  0.024  0.150  0.533  1.0
  Cs  Cs18  1  0.942  0.083  0.756  1.0
  Cs  Cs19  1  0.087  0.736  0.921  1.0
  Cs  Cs20  1  0.558  0.083  0.256  1.0
  Cs  Cs21  1  0.976  0.850  0.467  1.0
  Cs  Cs22  1  0.741  0.639  0.289  1.0
  Cs  Cs23  1  0.432  0.376  0.389  1.0
  Al  Al24  1  0.947  0.464  0.572  1.0
  Al  Al25  1  0.888  0.957  0.054  1.0
  Al  Al26  1  0.553  0.464  0.072  1.0
  Al  Al27  1  0.112  0.043  0.946  1.0
  Al  Al28  1  0.612  0.957  0.554  1.0
  Al  Al29  1  0.388  0.043  0.446  1.0
  Al  Al30  1  0.447  0.536  0.928  1.0
  Al  Al31  1  0.053  0.536  0.428  1.0
  P  P32  1  0.656  0.054  0.438  1.0
  P  P33  1  0.201  0.494  0.531  1.0
  P  P34  1  0.786  0.897  0.639  1.0
  P  P35  1  0.362  0.595  0.815  1.0
  P  P36  1  0.844  0.054  0.938  1.0
  P  P37  1  0.799  0.506  0.469  1.0
  P  P38  1  0.714  0.897  0.139  1.0
  P  P39  1  0.862  0.405  0.685  1.0
  P  P40  1  0.701  0.506  0.969  1.0
  P  P41  1  0.138  0.595  0.315  1.0
  P  P42  1  0.344  0.946  0.562  1.0
  P  P43  1  0.156  0.946  0.062  1.0
  P  P44  1  0.299  0.494  0.031  1.0
  P  P45  1  0.286  0.103  0.861  1.0
  P  P46  1  0.214  0.103  0.361  1.0
  P  P47  1  0.638  0.405  0.185  1.0
[/CIF]
.
The crystal structure described by Cs3AlP2 crystallizes in the monoclinic P2_1/c space group. There are six inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Al(2), one P(3), one P(4), and two equivalent P(2) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one P(2), one P(3), and two equivalent P(4) atoms. In the third Cs site, Cs(3) is bonded in a 3-coordinate geometry to one Al(2), one P(2), and one P(4) atom. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one P(1), one P(3), and one P(4) atom. In the fifth Cs site, Cs(5) is bonded in a 5-coordinate geometry to one Al(1), two equivalent P(1), and two equivalent P(3) atoms. In the sixth Cs site, Cs(6) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted trigonal planar geometry to one Cs(5), one P(4), and two equivalent P(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one P(3), and two equivalent P(1) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(5), and two equivalent Al(2) atoms. In the second P site, P(2) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and two equivalent Al(1) atoms. In the third P site, P(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(5), two equivalent Cs(6), and one Al(2) atom. In the fourth P site, P(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), one Cs(6), two equivalent Cs(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3AlP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.727
_cell_length_b   11.339
_cell_length_c   19.122
_cell_angle_alpha   79.890
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1862.927
_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
  Cs  Cs0  1  0.932  0.624  0.111  1.0
  Cs  Cs1  1  0.259  0.361  0.711  1.0
  Cs  Cs2  1  0.913  0.264  0.079  1.0
  Cs  Cs3  1  0.568  0.624  0.611  1.0
  Cs  Cs4  1  0.881  0.290  0.339  1.0
  Cs  Cs5  1  0.587  0.264  0.579  1.0
  Cs  Cs6  1  0.524  0.850  0.967  1.0
  Cs  Cs7  1  0.442  0.917  0.744  1.0
  Cs  Cs8  1  0.068  0.376  0.889  1.0
  Cs  Cs9  1  0.476  0.150  0.033  1.0
  Cs  Cs10  1  0.619  0.290  0.839  1.0
  Cs  Cs11  1  0.119  0.710  0.661  1.0
  Cs  Cs12  1  0.759  0.639  0.789  1.0
  Cs  Cs13  1  0.241  0.361  0.211  1.0
  Cs  Cs14  1  0.413  0.736  0.421  1.0
  Cs  Cs15  1  0.058  0.917  0.244  1.0
  Cs  Cs16  1  0.381  0.710  0.161  1.0
  Cs  Cs17  1  0.024  0.150  0.533  1.0
  Cs  Cs18  1  0.942  0.083  0.756  1.0
  Cs  Cs19  1  0.087  0.736  0.921  1.0
  Cs  Cs20  1  0.558  0.083  0.256  1.0
  Cs  Cs21  1  0.976  0.850  0.467  1.0
  Cs  Cs22  1  0.741  0.639  0.289  1.0
  Cs  Cs23  1  0.432  0.376  0.389  1.0
  Al  Al24  1  0.947  0.464  0.572  1.0
  Al  Al25  1  0.888  0.957  0.054  1.0
  Al  Al26  1  0.553  0.464  0.072  1.0
  Al  Al27  1  0.112  0.043  0.946  1.0
  Al  Al28  1  0.612  0.957  0.554  1.0
  Al  Al29  1  0.388  0.043  0.446  1.0
  Al  Al30  1  0.447  0.536  0.928  1.0
  Al  Al31  1  0.053  0.536  0.428  1.0
  P  P32  1  0.656  0.054  0.438  1.0
  P  P33  1  0.201  0.494  0.531  1.0
  P  P34  1  0.786  0.897  0.639  1.0
  P  P35  1  0.362  0.595  0.815  1.0
  P  P36  1  0.844  0.054  0.938  1.0
  P  P37  1  0.799  0.506  0.469  1.0
  P  P38  1  0.714  0.897  0.139  1.0
  P  P39  1  0.862  0.405  0.685  1.0
  P  P40  1  0.701  0.506  0.969  1.0
  P  P41  1  0.138  0.595  0.315  1.0
  P  P42  1  0.344  0.946  0.562  1.0
  P  P43  1  0.156  0.946  0.062  1.0
  P  P44  1  0.299  0.494  0.031  1.0
  P  P45  1  0.286  0.103  0.861  1.0
  P  P46  1  0.214  0.103  0.361  1.0
  P  P47  1  0.638  0.405  0.185  1.0
[/CIF]
.