The material structure described by Mg(BeN)2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with twelve equivalent Be(1)N4 tetrahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Be(1)N4 tetrahedra. Be(1) is bonded to four equivalent N(1) atoms to form BeN4 tetrahedra that share corners with six equivalent Mg(1)N6 octahedra, corners with six equivalent Be(1)N4 tetrahedra, edges with three equivalent Mg(1)N6 octahedra, and edges with three equivalent Be(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. N(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1) and four equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_Mg(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.941
_cell_length_b   2.941
_cell_length_c   5.064
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   37.928
_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  Mg0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.667  0.333  0.372  1.0
  Be  Be2  1  0.333  0.667  0.628  1.0
  N  N3  1  0.667  0.333  0.723  1.0
  N  N4  1  0.333  0.667  0.277  1.0
[/CIF]
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The material structure described by Mg(BeN)2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with twelve equivalent Be(1)N4 tetrahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Be(1)N4 tetrahedra. Be(1) is bonded to four equivalent N(1) atoms to form BeN4 tetrahedra that share corners with six equivalent Mg(1)N6 octahedra, corners with six equivalent Be(1)N4 tetrahedra, edges with three equivalent Mg(1)N6 octahedra, and edges with three equivalent Be(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. N(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1) and four equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_Mg(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.941
_cell_length_b   2.941
_cell_length_c   5.064
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   37.928
_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  Mg0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.667  0.333  0.372  1.0
  Be  Be2  1  0.333  0.667  0.628  1.0
  N  N3  1  0.667  0.333  0.723  1.0
  N  N4  1  0.333  0.667  0.277  1.0
[/CIF]
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