data_MgBe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   32.34
_cell_angle_beta   32.34
_cell_angle_gamma   32.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBe2P
_chemical_formula_sum   'Mg1 Be2 P1'
_cell_volume   59.71
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.82  1.0
  Be  Be1  1  0.0  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.76  1.0

data_MgBe2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.44
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBe2P
_chemical_formula_sum   'Mg2 Be4 P2'
_cell_volume   119.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.0  0.0  0.18  1.0
  Be  Be2  2  0.0  0.0  0.3  1.0
  P  P3  2  0.0  0.0  0.24  1.0

Mg Be Be P
Mg Be Be P 0 1 o o - 1 3 o o o 2 3 o o o 
MgBe2P is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgBe2P clusters. Mg(1) is bonded in a single-bond geometry to one Be(1) atom. The Mg(1)-Be(1) bond length is 1.12 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted linear geometry to one Mg(1) and one P(1) atom. The Be(1)-P(1) bond length is 0.35 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one P(1) atom. The Be(2)-P(1) bond length is 0.35 Å. P(1) is bonded in a linear geometry to one Be(1) and one Be(2) atom.