data_Sc2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   139.83
_cell_angle_beta   139.83
_cell_angle_gamma   58.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeP
_chemical_formula_sum   'Sc2 Be1 P1'
_cell_volume   67.26
_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  Sc2  1  0.0  0.0  0.78  1.0
  Sc  Sc3  1  0.0  0.88  0.39  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.88  0.0  0.39  1.0

data_Sc2BeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.46
_cell_angle_alpha   110.09
_cell_angle_beta   110.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeP
_chemical_formula_sum   'Sc2 Be1 P1'
_cell_volume   67.26
_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  0.22  0.0  0.22  1.0
  Sc  Sc1  1  0.49  0.88  0.49  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.61  0.0  0.49  1.0

Sc Sc Be P
Sc Sc Be P 0 2 o o + 1 3 - + o 
BeSc2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeSc2P cluster. Be(1) is bonded in a single-bond geometry to one Sc(1) atom. The Be(1)-Sc(1) bond length is 1.22 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Be(1) and one P(1) atom. The Sc(1)-P(1) bond length is 1.66 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one P(1) atom. The Sc(2)-P(1) bond length is 0.66 Å. P(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Sc(2) atom.