The material described by LaP5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent P(3), two equivalent P(6), and four equivalent P(2) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent P(5), and four equivalent P(4) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded to one La(2), one P(3), one P(4), and one P(6) atom to form PLaP3 tetrahedra that share corners with two equivalent P(2)La2P2 tetrahedra, corners with three equivalent P(5)La2P2 tetrahedra, corners with four equivalent P(4)La2P2 tetrahedra, and  an edgeedge with one P(1)LaP3 tetrahedra. In the second P site, P(2) is bonded to two equivalent La(1), one P(3), and one P(4) atom to form distorted PLa2P2 tetrahedra that share  a cornercorner with one P(5)La2P2 tetrahedra, corners with two equivalent P(1)LaP3 tetrahedra, corners with four equivalent P(2)La2P2 tetrahedra, corners with four equivalent P(6)La2P2 tetrahedra, corners with four equivalent P(3)LaP3 tetrahedra, and  an edgeedge with one P(2)La2P2 tetrahedra. In the third P site, P(3) is bonded to one La(1), one P(1), one P(2), and one P(5) atom to form distorted PLaP3 tetrahedra that share corners with two equivalent P(4)La2P2 tetrahedra, corners with three equivalent P(6)La2P2 tetrahedra, corners with four equivalent P(2)La2P2 tetrahedra, and  an edgeedge with one P(3)LaP3 tetrahedra. In the fourth P site, P(4) is bonded to two equivalent La(2), one P(1), and one P(2) atom to form distorted PLa2P2 tetrahedra that share  a cornercorner with one P(6)La2P2 tetrahedra, corners with two equivalent P(3)LaP3 tetrahedra, corners with four equivalent P(4)La2P2 tetrahedra, corners with four equivalent P(5)La2P2 tetrahedra, corners with four equivalent P(1)LaP3 tetrahedra, and  an edgeedge with one P(4)La2P2 tetrahedra. In the fifth P site, P(5) is bonded to two equivalent La(2) and two equivalent P(3) atoms to form distorted PLa2P2 tetrahedra that share corners with two equivalent P(2)La2P2 tetrahedra, corners with two equivalent P(5)La2P2 tetrahedra, corners with six equivalent P(1)LaP3 tetrahedra, and corners with eight equivalent P(4)La2P2 tetrahedra. In the sixth P site, P(6) is bonded to two equivalent La(1) and two equivalent P(1) atoms to form distorted PLa2P2 tetrahedra that share corners with two equivalent P(4)La2P2 tetrahedra, corners with two equivalent P(6)La2P2 tetrahedra, corners with six equivalent P(3)LaP3 tetrahedra, and corners with eight equivalent P(2)La2P2 tetrahedra. is represented by the CIF file [CIF]
data_LaP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.561
_cell_length_c   9.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.949
_symmetry_Int_Tables_number   1
_cell_volume   263.017
_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
  La  La0  1  0.028  0.365  0.750  1.0
  La  La1  1  0.972  0.635  0.250  1.0
  P  P2  1  0.617  0.957  0.589  1.0
  P  P3  1  0.383  0.043  0.089  1.0
  P  P4  1  0.617  0.957  0.911  1.0
  P  P5  1  0.298  0.394  0.036  1.0
  P  P6  1  0.298  0.394  0.464  1.0
  P  P7  1  0.702  0.606  0.536  1.0
  P  P8  1  0.383  0.043  0.411  1.0
  P  P9  1  0.702  0.606  0.964  1.0
  P  P10  1  0.302  0.923  0.750  1.0
  P  P11  1  0.698  0.077  0.250  1.0
[/CIF]
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The material described by LaP5 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent P(3), two equivalent P(6), and four equivalent P(2) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent P(5), and four equivalent P(4) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded to one La(2), one P(3), one P(4), and one P(6) atom to form PLaP3 tetrahedra that share corners with two equivalent P(2)La2P2 tetrahedra, corners with three equivalent P(5)La2P2 tetrahedra, corners with four equivalent P(4)La2P2 tetrahedra, and  an edgeedge with one P(1)LaP3 tetrahedra. In the second P site, P(2) is bonded to two equivalent La(1), one P(3), and one P(4) atom to form distorted PLa2P2 tetrahedra that share  a cornercorner with one P(5)La2P2 tetrahedra, corners with two equivalent P(1)LaP3 tetrahedra, corners with four equivalent P(2)La2P2 tetrahedra, corners with four equivalent P(6)La2P2 tetrahedra, corners with four equivalent P(3)LaP3 tetrahedra, and  an edgeedge with one P(2)La2P2 tetrahedra. In the third P site, P(3) is bonded to one La(1), one P(1), one P(2), and one P(5) atom to form distorted PLaP3 tetrahedra that share corners with two equivalent P(4)La2P2 tetrahedra, corners with three equivalent P(6)La2P2 tetrahedra, corners with four equivalent P(2)La2P2 tetrahedra, and  an edgeedge with one P(3)LaP3 tetrahedra. In the fourth P site, P(4) is bonded to two equivalent La(2), one P(1), and one P(2) atom to form distorted PLa2P2 tetrahedra that share  a cornercorner with one P(6)La2P2 tetrahedra, corners with two equivalent P(3)LaP3 tetrahedra, corners with four equivalent P(4)La2P2 tetrahedra, corners with four equivalent P(5)La2P2 tetrahedra, corners with four equivalent P(1)LaP3 tetrahedra, and  an edgeedge with one P(4)La2P2 tetrahedra. In the fifth P site, P(5) is bonded to two equivalent La(2) and two equivalent P(3) atoms to form distorted PLa2P2 tetrahedra that share corners with two equivalent P(2)La2P2 tetrahedra, corners with two equivalent P(5)La2P2 tetrahedra, corners with six equivalent P(1)LaP3 tetrahedra, and corners with eight equivalent P(4)La2P2 tetrahedra. In the sixth P site, P(6) is bonded to two equivalent La(1) and two equivalent P(1) atoms to form distorted PLa2P2 tetrahedra that share corners with two equivalent P(4)La2P2 tetrahedra, corners with two equivalent P(6)La2P2 tetrahedra, corners with six equivalent P(3)LaP3 tetrahedra, and corners with eight equivalent P(2)La2P2 tetrahedra. is represented by the CIF file [CIF]
data_LaP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.561
_cell_length_c   9.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.949
_symmetry_Int_Tables_number   1
_cell_volume   263.017
_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
  La  La0  1  0.028  0.365  0.750  1.0
  La  La1  1  0.972  0.635  0.250  1.0
  P  P2  1  0.617  0.957  0.589  1.0
  P  P3  1  0.383  0.043  0.089  1.0
  P  P4  1  0.617  0.957  0.911  1.0
  P  P5  1  0.298  0.394  0.036  1.0
  P  P6  1  0.298  0.394  0.464  1.0
  P  P7  1  0.702  0.606  0.536  1.0
  P  P8  1  0.383  0.043  0.411  1.0
  P  P9  1  0.702  0.606  0.964  1.0
  P  P10  1  0.302  0.923  0.750  1.0
  P  P11  1  0.698  0.077  0.250  1.0
[/CIF]
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