The material described by CoSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Si(1) is bonded to one N(2) and three equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Co(1) and two equivalent Si(1) atoms to form distorted NCo2Si2 trigonal pyramids that share corners with ten equivalent N(1)CoSi3 tetrahedra and corners with two equivalent N(2)Co2Si2 trigonal pyramids. In the second N site, N(1) is bonded to one Co(1) and three equivalent Si(1) atoms to form distorted NCoSi3 tetrahedra that share corners with seven equivalent N(1)CoSi3 tetrahedra and corners with five equivalent N(2)Co2Si2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.399
_cell_length_c   4.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.360
_symmetry_Int_Tables_number   1
_cell_volume   120.074
_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
  Co  Co0  1  0.000  0.603  0.500  1.0
  Co  Co1  1  0.000  0.397  1.000  1.0
  Si  Si2  1  0.338  0.327  0.494  1.0
  Si  Si3  1  0.662  0.989  0.494  1.0
  Si  Si4  1  0.662  0.673  0.994  1.0
  Si  Si5  1  0.338  0.011  0.994  1.0
  N  N6  1  0.389  0.339  0.855  1.0
  N  N7  1  0.611  0.950  0.855  1.0
  N  N8  1  0.611  0.661  0.355  1.0
  N  N9  1  0.389  0.050  0.355  1.0
  N  N10  1  0.000  0.748  0.890  1.0
  N  N11  1  0.000  0.252  0.390  1.0
[/CIF]
.
The material described by CoSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Si(1) is bonded to one N(2) and three equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Co(1) and two equivalent Si(1) atoms to form distorted NCo2Si2 trigonal pyramids that share corners with ten equivalent N(1)CoSi3 tetrahedra and corners with two equivalent N(2)Co2Si2 trigonal pyramids. In the second N site, N(1) is bonded to one Co(1) and three equivalent Si(1) atoms to form distorted NCoSi3 tetrahedra that share corners with seven equivalent N(1)CoSi3 tetrahedra and corners with five equivalent N(2)Co2Si2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   5.399
_cell_length_c   4.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.360
_symmetry_Int_Tables_number   1
_cell_volume   120.074
_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
  Co  Co0  1  0.000  0.603  0.500  1.0
  Co  Co1  1  0.000  0.397  1.000  1.0
  Si  Si2  1  0.338  0.327  0.494  1.0
  Si  Si3  1  0.662  0.989  0.494  1.0
  Si  Si4  1  0.662  0.673  0.994  1.0
  Si  Si5  1  0.338  0.011  0.994  1.0
  N  N6  1  0.389  0.339  0.855  1.0
  N  N7  1  0.611  0.950  0.855  1.0
  N  N8  1  0.611  0.661  0.355  1.0
  N  N9  1  0.389  0.050  0.355  1.0
  N  N10  1  0.000  0.748  0.890  1.0
  N  N11  1  0.000  0.252  0.390  1.0
[/CIF]
.