The material described by KSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 10-coordinate geometry to four equivalent N(2) and six equivalent N(1) 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 in a 2-coordinate geometry to four equivalent K(1) and two equivalent Si(1) atoms. In the second N site, N(1) is bonded in a distorted trigonal planar geometry to three equivalent K(1) and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   5.660
_cell_length_c   5.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.812
_symmetry_Int_Tables_number   1
_cell_volume   134.399
_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
  K  K0  1  0.000  0.648  0.483  1.0
  K  K1  1  0.000  0.352  0.983  1.0
  Si  Si2  1  0.349  0.315  0.490  1.0
  Si  Si3  1  0.651  0.967  0.490  1.0
  Si  Si4  1  0.651  0.685  0.990  1.0
  Si  Si5  1  0.349  0.033  0.990  1.0
  N  N6  1  0.477  0.357  0.825  1.0
  N  N7  1  0.523  0.880  0.825  1.0
  N  N8  1  0.523  0.643  0.325  1.0
  N  N9  1  0.477  0.120  0.325  1.0
  N  N10  1  0.000  0.829  0.977  1.0
  N  N11  1  0.000  0.171  0.477  1.0
[/CIF]
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The material described by KSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 10-coordinate geometry to four equivalent N(2) and six equivalent N(1) 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 in a 2-coordinate geometry to four equivalent K(1) and two equivalent Si(1) atoms. In the second N site, N(1) is bonded in a distorted trigonal planar geometry to three equivalent K(1) and three equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.525
_cell_length_b   5.660
_cell_length_c   5.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.812
_symmetry_Int_Tables_number   1
_cell_volume   134.399
_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
  K  K0  1  0.000  0.648  0.483  1.0
  K  K1  1  0.000  0.352  0.983  1.0
  Si  Si2  1  0.349  0.315  0.490  1.0
  Si  Si3  1  0.651  0.967  0.490  1.0
  Si  Si4  1  0.651  0.685  0.990  1.0
  Si  Si5  1  0.349  0.033  0.990  1.0
  N  N6  1  0.477  0.357  0.825  1.0
  N  N7  1  0.523  0.880  0.825  1.0
  N  N8  1  0.523  0.643  0.325  1.0
  N  N9  1  0.477  0.120  0.325  1.0
  N  N10  1  0.000  0.829  0.977  1.0
  N  N11  1  0.000  0.171  0.477  1.0
[/CIF]
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