The material described by Al3P is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Al(1) is bonded to eight equivalent Al(1) and four equivalent P(1) atoms to form distorted AlAl8P4 cuboctahedra that share corners with four equivalent P(1)Al12 cuboctahedra, corners with fourteen equivalent Al(1)Al8P4 cuboctahedra, edges with six equivalent P(1)Al12 cuboctahedra, edges with twelve equivalent Al(1)Al8P4 cuboctahedra, faces with four equivalent P(1)Al12 cuboctahedra, and faces with sixteen equivalent Al(1)Al8P4 cuboctahedra. P(1) is bonded to twelve equivalent Al(1) atoms to form PAl12 cuboctahedra that share corners with six equivalent P(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al8P4 cuboctahedra, edges with eighteen equivalent Al(1)Al8P4 cuboctahedra, faces with eight equivalent P(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Al8P4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   4.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.020
_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
  Al  Al0  1  0.831  0.169  0.750  1.0
  Al  Al1  1  0.338  0.169  0.750  1.0
  Al  Al2  1  0.831  0.662  0.750  1.0
  Al  Al3  1  0.169  0.831  0.250  1.0
  Al  Al4  1  0.662  0.831  0.250  1.0
  Al  Al5  1  0.169  0.338  0.250  1.0
  P  P6  1  0.667  0.333  0.250  1.0
  P  P7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by Al3P is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Al(1) is bonded to eight equivalent Al(1) and four equivalent P(1) atoms to form distorted AlAl8P4 cuboctahedra that share corners with four equivalent P(1)Al12 cuboctahedra, corners with fourteen equivalent Al(1)Al8P4 cuboctahedra, edges with six equivalent P(1)Al12 cuboctahedra, edges with twelve equivalent Al(1)Al8P4 cuboctahedra, faces with four equivalent P(1)Al12 cuboctahedra, and faces with sixteen equivalent Al(1)Al8P4 cuboctahedra. P(1) is bonded to twelve equivalent Al(1) atoms to form PAl12 cuboctahedra that share corners with six equivalent P(1)Al12 cuboctahedra, corners with twelve equivalent Al(1)Al8P4 cuboctahedra, edges with eighteen equivalent Al(1)Al8P4 cuboctahedra, faces with eight equivalent P(1)Al12 cuboctahedra, and faces with twelve equivalent Al(1)Al8P4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   4.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.020
_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
  Al  Al0  1  0.831  0.169  0.750  1.0
  Al  Al1  1  0.338  0.169  0.750  1.0
  Al  Al2  1  0.831  0.662  0.750  1.0
  Al  Al3  1  0.169  0.831  0.250  1.0
  Al  Al4  1  0.662  0.831  0.250  1.0
  Al  Al5  1  0.169  0.338  0.250  1.0
  P  P6  1  0.667  0.333  0.250  1.0
  P  P7  1  0.333  0.667  0.750  1.0
[/CIF]
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