data_Ti2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   140.41
_cell_angle_beta   135.45
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeP
_chemical_formula_sum   'Ti2 Be1 P1'
_cell_volume   53.09
_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
  Ti  Ti2  1  0.0  0.0  0.47  1.0
  Ti  Ti3  1  0.67  0.0  0.2  1.0
  Be  Be0  1  0.0  0.0  0.5  1.0
  P  P1  1  0.0  0.87  0.82  1.0

data_Ti2BeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.74
_cell_length_c   4.93
_cell_angle_alpha   112.27
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeP
_chemical_formula_sum   'Ti2 Be1 P1'
_cell_volume   53.09
_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
  Ti  Ti0  1  0.0  0.2  0.53  1.0
  Ti  Ti1  1  0.0  0.47  0.47  1.0
  Be  Be2  1  0.0  0.5  0.5  1.0
  P  P3  1  0.13  0.95  0.95  1.0

Ti Ti Be P
BeTi2P crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted single-bond geometry to one Ti(1), one Ti(2), and one P(1) atom. The Be(1)-Ti(1) bond length is 0.13 Å. The Be(1)-Ti(2) bond length is 1.18 Å. The Be(1)-P(1) bond length is 2.14 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Be(1), one Ti(2), and two equivalent P(1) atoms. The Ti(1)-Ti(2) bond length is 1.15 Å. There is one shorter (2.73 Å) and one longer (3.15 Å) Ti(1)-P(1) bond length. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to one Be(1), one Ti(1), and four equivalent P(1) atoms. There are a spread of Ti(2)-P(1) bond distances ranging from 2.50-3.14 Å. P(1) is bonded in a 7-coordinate geometry to one Be(1), two equivalent Ti(1), and four equivalent Ti(2) atoms.