The material described by Co2AgN3 crystallizes in the trigonal P3_121 space group. Co(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing CoN6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ag(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(2)Co3Ag tetrahedra, edges with six equivalent N(1)Co6 octahedra, and edges with six equivalent N(2)Co3Ag tetrahedra. In the second N site, N(2) is bonded to three equivalent Co(1) and one Ag(1) atom to form distorted NCo3Ag tetrahedra that share corners with three equivalent N(1)Co6 octahedra, corners with seven equivalent N(2)Co3Ag tetrahedra, and edges with three equivalent N(1)Co6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. is represented by the CIF card [CIF]
data_Co2AgN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.843
_cell_length_b   2.843
_cell_length_c   26.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.050
_cell_formula_units_Z   3
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  0.341  0.029  0.117  1.0
  Co  Co1  1  0.688  0.659  0.783  1.0
  Co  Co2  1  0.971  0.312  0.450  1.0
  Co  Co3  1  0.659  0.688  0.217  1.0
  Co  Co4  1  0.029  0.341  0.883  1.0
  Co  Co5  1  0.312  0.971  0.550  1.0
  Ag  Ag6  1  0.000  0.328  0.667  1.0
  Ag  Ag7  1  0.328  0.000  0.333  1.0
  Ag  Ag8  1  0.672  0.672  0.000  1.0
  N  N9  1  0.000  0.279  0.167  1.0
  N  N10  1  0.279  0.000  0.833  1.0
  N  N11  1  0.721  0.721  0.500  1.0
  N  N12  1  0.321  0.993  0.416  1.0
  N  N13  1  0.672  0.679  0.083  1.0
  N  N14  1  0.007  0.328  0.750  1.0
  N  N15  1  0.679  0.672  0.917  1.0
  N  N16  1  0.993  0.321  0.584  1.0
  N  N17  1  0.328  0.007  0.250  1.0
[/CIF]
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The material described by Co2AgN3 crystallizes in the trigonal P3_121 space group. Co(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing CoN6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ag(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(2)Co3Ag tetrahedra, edges with six equivalent N(1)Co6 octahedra, and edges with six equivalent N(2)Co3Ag tetrahedra. In the second N site, N(2) is bonded to three equivalent Co(1) and one Ag(1) atom to form distorted NCo3Ag tetrahedra that share corners with three equivalent N(1)Co6 octahedra, corners with seven equivalent N(2)Co3Ag tetrahedra, and edges with three equivalent N(1)Co6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. is represented by the CIF card [CIF]
data_Co2AgN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.843
_cell_length_b   2.843
_cell_length_c   26.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.050
_cell_formula_units_Z   3
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  0.341  0.029  0.117  1.0
  Co  Co1  1  0.688  0.659  0.783  1.0
  Co  Co2  1  0.971  0.312  0.450  1.0
  Co  Co3  1  0.659  0.688  0.217  1.0
  Co  Co4  1  0.029  0.341  0.883  1.0
  Co  Co5  1  0.312  0.971  0.550  1.0
  Ag  Ag6  1  0.000  0.328  0.667  1.0
  Ag  Ag7  1  0.328  0.000  0.333  1.0
  Ag  Ag8  1  0.672  0.672  0.000  1.0
  N  N9  1  0.000  0.279  0.167  1.0
  N  N10  1  0.279  0.000  0.833  1.0
  N  N11  1  0.721  0.721  0.500  1.0
  N  N12  1  0.321  0.993  0.416  1.0
  N  N13  1  0.672  0.679  0.083  1.0
  N  N14  1  0.007  0.328  0.750  1.0
  N  N15  1  0.679  0.672  0.917  1.0
  N  N16  1  0.993  0.321  0.584  1.0
  N  N17  1  0.328  0.007  0.250  1.0
[/CIF]
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