The crystal structure described by BeAlSiN3 is Stannite-like structured and crystallizes in the monoclinic Cc space group. Be(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form BeN4 tetrahedra that share corners with two equivalent Be(1)N4 tetrahedra, corners with five equivalent Al(1)N4 tetrahedra, and corners with five equivalent Si(1)N4 tetrahedra. Al(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra, corners with five equivalent Be(1)N4 tetrahedra, and corners with five equivalent Si(1)N4 tetrahedra. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with two equivalent Si(1)N4 tetrahedra, corners with five equivalent Be(1)N4 tetrahedra, and corners with five equivalent Al(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Be(1), one Al(1), and one Si(1) atom to form NBe2AlSi tetrahedra that share corners with two equivalent N(1)Be2AlSi tetrahedra, corners with five equivalent N(3)BeAl2Si tetrahedra, and corners with five equivalent N(2)BeAlSi2 tetrahedra. In the second N site, N(2) is bonded to one Be(1), one Al(1), and two equivalent Si(1) atoms to form NBeAlSi2 tetrahedra that share corners with two equivalent N(2)BeAlSi2 tetrahedra, corners with five equivalent N(1)Be2AlSi tetrahedra, and corners with five equivalent N(3)BeAl2Si tetrahedra. In the third N site, N(3) is bonded to one Be(1), two equivalent Al(1), and one Si(1) atom to form NBeAl2Si tetrahedra that share corners with two equivalent N(3)BeAl2Si tetrahedra, corners with five equivalent N(1)Be2AlSi tetrahedra, and corners with five equivalent N(2)BeAlSi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeAlSiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.147
_cell_length_c   5.633
_cell_angle_alpha   62.947
_cell_angle_beta   62.947
_cell_angle_gamma   59.989
_symmetry_Int_Tables_number   1
_cell_volume   109.960
_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  0.830  0.662  0.507  1.0
  Be  Be1  1  0.662  0.830  0.007  1.0
  Al  Al2  1  0.503  0.336  0.492  1.0
  Al  Al3  1  0.336  0.503  0.992  1.0
  Si  Si4  1  0.172  0.003  0.491  1.0
  Si  Si5  1  0.003  0.172  0.991  1.0
  N  N6  1  0.723  0.537  0.886  1.0
  N  N7  1  0.028  0.897  0.865  1.0
  N  N8  1  0.371  0.188  0.884  1.0
  N  N9  1  0.897  0.028  0.365  1.0
  N  N10  1  0.188  0.371  0.384  1.0
  N  N11  1  0.537  0.723  0.386  1.0
[/CIF]
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The crystal structure described by BeAlSiN3 is Stannite-like structured and crystallizes in the monoclinic Cc space group. Be(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form BeN4 tetrahedra that share corners with two equivalent Be(1)N4 tetrahedra, corners with five equivalent Al(1)N4 tetrahedra, and corners with five equivalent Si(1)N4 tetrahedra. Al(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form AlN4 tetrahedra that share corners with two equivalent Al(1)N4 tetrahedra, corners with five equivalent Be(1)N4 tetrahedra, and corners with five equivalent Si(1)N4 tetrahedra. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with two equivalent Si(1)N4 tetrahedra, corners with five equivalent Be(1)N4 tetrahedra, and corners with five equivalent Al(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Be(1), one Al(1), and one Si(1) atom to form NBe2AlSi tetrahedra that share corners with two equivalent N(1)Be2AlSi tetrahedra, corners with five equivalent N(3)BeAl2Si tetrahedra, and corners with five equivalent N(2)BeAlSi2 tetrahedra. In the second N site, N(2) is bonded to one Be(1), one Al(1), and two equivalent Si(1) atoms to form NBeAlSi2 tetrahedra that share corners with two equivalent N(2)BeAlSi2 tetrahedra, corners with five equivalent N(1)Be2AlSi tetrahedra, and corners with five equivalent N(3)BeAl2Si tetrahedra. In the third N site, N(3) is bonded to one Be(1), two equivalent Al(1), and one Si(1) atom to form NBeAl2Si tetrahedra that share corners with two equivalent N(3)BeAl2Si tetrahedra, corners with five equivalent N(1)Be2AlSi tetrahedra, and corners with five equivalent N(2)BeAlSi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BeAlSiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.147
_cell_length_c   5.633
_cell_angle_alpha   62.947
_cell_angle_beta   62.947
_cell_angle_gamma   59.989
_symmetry_Int_Tables_number   1
_cell_volume   109.960
_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  0.830  0.662  0.507  1.0
  Be  Be1  1  0.662  0.830  0.007  1.0
  Al  Al2  1  0.503  0.336  0.492  1.0
  Al  Al3  1  0.336  0.503  0.992  1.0
  Si  Si4  1  0.172  0.003  0.491  1.0
  Si  Si5  1  0.003  0.172  0.991  1.0
  N  N6  1  0.723  0.537  0.886  1.0
  N  N7  1  0.028  0.897  0.865  1.0
  N  N8  1  0.371  0.188  0.884  1.0
  N  N9  1  0.897  0.028  0.365  1.0
  N  N10  1  0.188  0.371  0.384  1.0
  N  N11  1  0.537  0.723  0.386  1.0
[/CIF]
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