The structure described by CrCo2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Co(1)N4 tetrahedra. Co(1) is bonded to one N(2) and three equivalent N(1) atoms to form CoN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Co(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Co(1) atoms to form NCr2Co2 tetrahedra that share corners with two equivalent N(2)Cr2Co2 tetrahedra and corners with ten equivalent N(1)CrCo3 tetrahedra. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Co(1) atoms to form NCrCo3 tetrahedra that share corners with five equivalent N(2)Cr2Co2 tetrahedra and corners with seven equivalent N(1)CrCo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.096
_cell_length_c   5.157
_cell_angle_alpha   90.004
_cell_angle_beta   89.998
_cell_angle_gamma   119.987
_symmetry_Int_Tables_number   1
_cell_volume   116.020
_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
  Cr  Cr0  1  1.000  0.837  0.941  1.0
  Cr  Cr1  1  1.000  0.163  0.441  1.0
  Co  Co2  1  0.313  0.831  0.494  1.0
  Co  Co3  1  0.687  0.518  0.494  1.0
  Co  Co4  1  0.687  0.169  0.994  1.0
  Co  Co5  1  0.313  0.482  0.994  1.0
  N  N6  1  0.345  0.835  0.857  1.0
  N  N7  1  0.655  0.491  0.857  1.0
  N  N8  1  0.655  0.165  0.357  1.0
  N  N9  1  0.345  0.509  0.357  1.0
  N  N10  1  1.000  0.829  0.302  1.0
  N  N11  1  0.000  0.171  0.802  1.0
[/CIF]
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The structure described by CrCo2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Co(1)N4 tetrahedra. Co(1) is bonded to one N(2) and three equivalent N(1) atoms to form CoN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Co(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Co(1) atoms to form NCr2Co2 tetrahedra that share corners with two equivalent N(2)Cr2Co2 tetrahedra and corners with ten equivalent N(1)CrCo3 tetrahedra. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Co(1) atoms to form NCrCo3 tetrahedra that share corners with five equivalent N(2)Cr2Co2 tetrahedra and corners with seven equivalent N(1)CrCo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.096
_cell_length_c   5.157
_cell_angle_alpha   90.004
_cell_angle_beta   89.998
_cell_angle_gamma   119.987
_symmetry_Int_Tables_number   1
_cell_volume   116.020
_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
  Cr  Cr0  1  1.000  0.837  0.941  1.0
  Cr  Cr1  1  1.000  0.163  0.441  1.0
  Co  Co2  1  0.313  0.831  0.494  1.0
  Co  Co3  1  0.687  0.518  0.494  1.0
  Co  Co4  1  0.687  0.169  0.994  1.0
  Co  Co5  1  0.313  0.482  0.994  1.0
  N  N6  1  0.345  0.835  0.857  1.0
  N  N7  1  0.655  0.491  0.857  1.0
  N  N8  1  0.655  0.165  0.357  1.0
  N  N9  1  0.345  0.509  0.357  1.0
  N  N10  1  1.000  0.829  0.302  1.0
  N  N11  1  0.000  0.171  0.802  1.0
[/CIF]
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