The material described by BeCN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Be(1) is bonded to four equivalent N(1) atoms to form BeN4 tetrahedra that share corners with four equivalent Be(1)N4 tetrahedra and corners with eight equivalent C(1)N4 tetrahedra. C(1) is bonded to four equivalent N(1) atoms to form CN4 tetrahedra that share corners with four equivalent C(1)N4 tetrahedra and corners with eight equivalent Be(1)N4 tetrahedra. N(1) is bonded to two equivalent Be(1) and two equivalent C(1) atoms to form corner-sharing NBe2C2 tetrahedra. is represented by the CIF card [CIF]
data_BeCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.753
_cell_length_b   3.753
_cell_length_c   4.372
_cell_angle_alpha   115.412
_cell_angle_beta   115.412
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.940
_cell_formula_units_Z   2
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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.250  0.750  0.500  1.0
  C  C2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.750  0.250  0.500  1.0
  N  N4  1  0.420  0.375  0.250  1.0
  N  N5  1  0.125  0.580  0.750  1.0
  N  N6  1  0.625  0.170  0.750  1.0
  N  N7  1  0.830  0.875  0.250  1.0
[/CIF]
.
The material described by BeCN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Be(1) is bonded to four equivalent N(1) atoms to form BeN4 tetrahedra that share corners with four equivalent Be(1)N4 tetrahedra and corners with eight equivalent C(1)N4 tetrahedra. C(1) is bonded to four equivalent N(1) atoms to form CN4 tetrahedra that share corners with four equivalent C(1)N4 tetrahedra and corners with eight equivalent Be(1)N4 tetrahedra. N(1) is bonded to two equivalent Be(1) and two equivalent C(1) atoms to form corner-sharing NBe2C2 tetrahedra. is represented by the CIF card [CIF]
data_BeCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.753
_cell_length_b   3.753
_cell_length_c   4.372
_cell_angle_alpha   115.412
_cell_angle_beta   115.412
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.940
_cell_formula_units_Z   2
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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.250  0.750  0.500  1.0
  C  C2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.750  0.250  0.500  1.0
  N  N4  1  0.420  0.375  0.250  1.0
  N  N5  1  0.125  0.580  0.750  1.0
  N  N6  1  0.625  0.170  0.750  1.0
  N  N7  1  0.830  0.875  0.250  1.0
[/CIF]
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