The crystal structure described by Sc3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Sc(1), four equivalent Sc(2), and four equivalent P(1) atoms to form distorted ScSc8P4 cuboctahedra that share corners with twelve equivalent Sc(1)Sc8P4 cuboctahedra, edges with eight equivalent Sc(1)Sc8P4 cuboctahedra, edges with eight equivalent P(1)Sc12 cuboctahedra, faces with four equivalent P(1)Sc12 cuboctahedra, and faces with ten equivalent Sc(1)Sc8P4 cuboctahedra. In the second Sc site, Sc(2) is bonded in a square co-planar geometry to eight equivalent Sc(1) and four equivalent P(1) atoms. P(1) is bonded to four equivalent Sc(2) and eight equivalent Sc(1) atoms to form PSc12 cuboctahedra that share corners with four equivalent P(1)Sc12 cuboctahedra, edges with eight equivalent P(1)Sc12 cuboctahedra, edges with sixteen equivalent Sc(1)Sc8P4 cuboctahedra, faces with four equivalent P(1)Sc12 cuboctahedra, and faces with eight equivalent Sc(1)Sc8P4 cuboctahedra. is represented by the CIF card [CIF]
data_Sc3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.539
_cell_length_c   5.539
_cell_angle_alpha   136.909
_cell_angle_beta   136.909
_cell_angle_gamma   62.577
_symmetry_Int_Tables_number   1
_cell_volume   78.361
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.750  0.250  0.500  1.0
  Sc  Sc1  1  0.250  0.750  0.500  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sc3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to four equivalent Sc(1), four equivalent Sc(2), and four equivalent P(1) atoms to form distorted ScSc8P4 cuboctahedra that share corners with twelve equivalent Sc(1)Sc8P4 cuboctahedra, edges with eight equivalent Sc(1)Sc8P4 cuboctahedra, edges with eight equivalent P(1)Sc12 cuboctahedra, faces with four equivalent P(1)Sc12 cuboctahedra, and faces with ten equivalent Sc(1)Sc8P4 cuboctahedra. In the second Sc site, Sc(2) is bonded in a square co-planar geometry to eight equivalent Sc(1) and four equivalent P(1) atoms. P(1) is bonded to four equivalent Sc(2) and eight equivalent Sc(1) atoms to form PSc12 cuboctahedra that share corners with four equivalent P(1)Sc12 cuboctahedra, edges with eight equivalent P(1)Sc12 cuboctahedra, edges with sixteen equivalent Sc(1)Sc8P4 cuboctahedra, faces with four equivalent P(1)Sc12 cuboctahedra, and faces with eight equivalent Sc(1)Sc8P4 cuboctahedra. is represented by the CIF card [CIF]
data_Sc3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.539
_cell_length_c   5.539
_cell_angle_alpha   136.909
_cell_angle_beta   136.909
_cell_angle_gamma   62.577
_symmetry_Int_Tables_number   1
_cell_volume   78.361
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.750  0.250  0.500  1.0
  Sc  Sc1  1  0.250  0.750  0.500  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.000  0.000  0.000  1.0
[/CIF]
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