The crystal structure described by KCrN2 crystallizes in the orthorhombic Pbca space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent N(1), two equivalent N(4), three equivalent N(2), and three equivalent N(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one K(2), two equivalent K(1), and two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent K(2), three equivalent K(1), one Cr(1), and one Cr(2) atom. In the third N site, N(3) is bonded in a distorted linear geometry to two equivalent K(2), three equivalent K(1), one Cr(1), and one Cr(2) atom. In the fourth N site, N(4) is bonded in a linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_KCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   7.844
_cell_length_c   11.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.712
_cell_formula_units_Z   8
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  0.250  0.370  1.000  1.0
  Cr  Cr1  1  0.750  0.630  0.500  1.0
  Cr  Cr2  1  0.750  0.630  0.000  1.0
  Cr  Cr3  1  0.250  0.370  0.500  1.0
  Cr  Cr4  1  0.184  0.116  0.750  1.0
  Cr  Cr5  1  0.684  0.884  0.750  1.0
  Cr  Cr6  1  0.816  0.884  0.250  1.0
  Cr  Cr7  1  0.316  0.116  0.250  1.0
  K  K8  1  0.750  0.134  0.000  1.0
  K  K9  1  0.250  0.866  0.500  1.0
  K  K10  1  0.250  0.866  0.000  1.0
  K  K11  1  0.750  0.134  0.500  1.0
  K  K12  1  0.646  0.385  0.750  1.0
  K  K13  1  0.146  0.615  0.750  1.0
  K  K14  1  0.354  0.615  0.250  1.0
  K  K15  1  0.854  0.385  0.250  1.0
  N  N16  1  0.883  0.057  0.750  1.0
  N  N17  1  0.383  0.943  0.750  1.0
  N  N18  1  0.117  0.943  0.250  1.0
  N  N19  1  0.617  0.057  0.250  1.0
  N  N20  1  0.241  0.239  0.625  1.0
  N  N21  1  0.741  0.761  0.875  1.0
  N  N22  1  0.759  0.761  0.125  1.0
  N  N23  1  0.259  0.239  0.375  1.0
  N  N24  1  0.759  0.761  0.375  1.0
  N  N25  1  0.259  0.239  0.125  1.0
  N  N26  1  0.241  0.239  0.875  1.0
  N  N27  1  0.741  0.761  0.625  1.0
  N  N28  1  0.500  0.500  0.500  1.0
  N  N29  1  1.000  0.500  0.000  1.0
  N  N30  1  0.500  0.500  0.000  1.0
  N  N31  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by KCrN2 crystallizes in the orthorhombic Pbca space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent N(1), two equivalent N(4), three equivalent N(2), and three equivalent N(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one K(2), two equivalent K(1), and two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent K(2), three equivalent K(1), one Cr(1), and one Cr(2) atom. In the third N site, N(3) is bonded in a distorted linear geometry to two equivalent K(2), three equivalent K(1), one Cr(1), and one Cr(2) atom. In the fourth N site, N(4) is bonded in a linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_KCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   7.844
_cell_length_c   11.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.712
_cell_formula_units_Z   8
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  0.250  0.370  1.000  1.0
  Cr  Cr1  1  0.750  0.630  0.500  1.0
  Cr  Cr2  1  0.750  0.630  0.000  1.0
  Cr  Cr3  1  0.250  0.370  0.500  1.0
  Cr  Cr4  1  0.184  0.116  0.750  1.0
  Cr  Cr5  1  0.684  0.884  0.750  1.0
  Cr  Cr6  1  0.816  0.884  0.250  1.0
  Cr  Cr7  1  0.316  0.116  0.250  1.0
  K  K8  1  0.750  0.134  0.000  1.0
  K  K9  1  0.250  0.866  0.500  1.0
  K  K10  1  0.250  0.866  0.000  1.0
  K  K11  1  0.750  0.134  0.500  1.0
  K  K12  1  0.646  0.385  0.750  1.0
  K  K13  1  0.146  0.615  0.750  1.0
  K  K14  1  0.354  0.615  0.250  1.0
  K  K15  1  0.854  0.385  0.250  1.0
  N  N16  1  0.883  0.057  0.750  1.0
  N  N17  1  0.383  0.943  0.750  1.0
  N  N18  1  0.117  0.943  0.250  1.0
  N  N19  1  0.617  0.057  0.250  1.0
  N  N20  1  0.241  0.239  0.625  1.0
  N  N21  1  0.741  0.761  0.875  1.0
  N  N22  1  0.759  0.761  0.125  1.0
  N  N23  1  0.259  0.239  0.375  1.0
  N  N24  1  0.759  0.761  0.375  1.0
  N  N25  1  0.259  0.239  0.125  1.0
  N  N26  1  0.241  0.239  0.875  1.0
  N  N27  1  0.741  0.761  0.625  1.0
  N  N28  1  0.500  0.500  0.500  1.0
  N  N29  1  1.000  0.500  0.000  1.0
  N  N30  1  0.500  0.500  0.000  1.0
  N  N31  1  0.000  0.500  0.500  1.0
[/CIF]
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