The material structure described by CuSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. Cu(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CuN4 tetrahedra that share corners with two equivalent Cu(1)N4 tetrahedra and corners with ten equivalent Si(1)N4 tetrahedra. Si(1) is bonded to one N(2) and three equivalent N(1) atoms to form SiN4 tetrahedra that share corners with five equivalent Cu(1)N4 tetrahedra and corners with seven equivalent Si(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cu(1) and two equivalent Si(1) atoms to form distorted NCu2Si2 trigonal pyramids that share corners with two equivalent N(2)Cu2Si2 trigonal pyramids and corners with ten equivalent N(1)CuSi3 trigonal pyramids. In the second N site, N(1) is bonded to one Cu(1) and three equivalent Si(1) atoms to form distorted NCuSi3 trigonal pyramids that share corners with five equivalent N(2)Cu2Si2 trigonal pyramids and corners with seven equivalent N(1)CuSi3 trigonal pyramids. is represented by the CIF file [CIF]
data_CuSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   5.339
_cell_length_c   4.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.910
_symmetry_Int_Tables_number   1
_cell_volume   121.597
_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
  Cu  Cu0  1  0.000  0.630  0.510  1.0
  Cu  Cu1  1  0.000  0.370  0.010  1.0
  Si  Si2  1  0.336  0.327  0.490  1.0
  Si  Si3  1  0.664  0.991  0.490  1.0
  Si  Si4  1  0.664  0.673  0.990  1.0
  Si  Si5  1  0.336  0.009  0.990  1.0
  N  N6  1  0.398  0.340  0.846  1.0
  N  N7  1  0.602  0.941  0.846  1.0
  N  N8  1  0.602  0.660  0.346  1.0
  N  N9  1  0.398  0.059  0.346  1.0
  N  N10  1  0.000  0.738  0.906  1.0
  N  N11  1  0.000  0.262  0.406  1.0
[/CIF]
.
The material structure described by CuSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. Cu(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted CuN4 tetrahedra that share corners with two equivalent Cu(1)N4 tetrahedra and corners with ten equivalent Si(1)N4 tetrahedra. Si(1) is bonded to one N(2) and three equivalent N(1) atoms to form SiN4 tetrahedra that share corners with five equivalent Cu(1)N4 tetrahedra and corners with seven equivalent Si(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cu(1) and two equivalent Si(1) atoms to form distorted NCu2Si2 trigonal pyramids that share corners with two equivalent N(2)Cu2Si2 trigonal pyramids and corners with ten equivalent N(1)CuSi3 trigonal pyramids. In the second N site, N(1) is bonded to one Cu(1) and three equivalent Si(1) atoms to form distorted NCuSi3 trigonal pyramids that share corners with five equivalent N(2)Cu2Si2 trigonal pyramids and corners with seven equivalent N(1)CuSi3 trigonal pyramids. is represented by the CIF file [CIF]
data_CuSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.354
_cell_length_b   5.339
_cell_length_c   4.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.910
_symmetry_Int_Tables_number   1
_cell_volume   121.597
_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
  Cu  Cu0  1  0.000  0.630  0.510  1.0
  Cu  Cu1  1  0.000  0.370  0.010  1.0
  Si  Si2  1  0.336  0.327  0.490  1.0
  Si  Si3  1  0.664  0.991  0.490  1.0
  Si  Si4  1  0.664  0.673  0.990  1.0
  Si  Si5  1  0.336  0.009  0.990  1.0
  N  N6  1  0.398  0.340  0.846  1.0
  N  N7  1  0.602  0.941  0.846  1.0
  N  N8  1  0.602  0.660  0.346  1.0
  N  N9  1  0.398  0.059  0.346  1.0
  N  N10  1  0.000  0.738  0.906  1.0
  N  N11  1  0.000  0.262  0.406  1.0
[/CIF]
.