The structure described by RbCrN2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 12-coordinate geometry to two equivalent N(3), four equivalent N(1), and six equivalent N(2) atoms. In the second Rb site, Rb(2) is bonded in a 12-coordinate geometry to two equivalent N(1), four equivalent N(3), and six equivalent N(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Rb(2), four equivalent Rb(1), and two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a linear geometry to three equivalent Rb(1), three equivalent Rb(2), one Cr(1), and one Cr(2) atom. In the third N site, N(3) is bonded in a linear geometry to two equivalent Rb(1), four equivalent Rb(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_RbCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   135.556
_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  0.375  0.625  0.250  1.0
  Cr  Cr1  1  0.625  0.375  0.750  1.0
  N  N2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
  N  N4  1  1.000  0.500  0.500  1.0
  N  N5  1  0.500  0.000  0.000  1.0
  Rb  Rb6  1  0.125  0.875  0.750  1.0
  Rb  Rb7  1  0.875  0.125  0.250  1.0
[/CIF]
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The structure described by RbCrN2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 12-coordinate geometry to two equivalent N(3), four equivalent N(1), and six equivalent N(2) atoms. In the second Rb site, Rb(2) is bonded in a 12-coordinate geometry to two equivalent N(1), four equivalent N(3), and six equivalent N(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Rb(2), four equivalent Rb(1), and two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a linear geometry to three equivalent Rb(1), three equivalent Rb(2), one Cr(1), and one Cr(2) atom. In the third N site, N(3) is bonded in a linear geometry to two equivalent Rb(1), four equivalent Rb(2), and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_RbCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   5.766
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   135.556
_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  0.375  0.625  0.250  1.0
  Cr  Cr1  1  0.625  0.375  0.750  1.0
  N  N2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.500  0.500  0.000  1.0
  N  N4  1  1.000  0.500  0.500  1.0
  N  N5  1  0.500  0.000  0.000  1.0
  Rb  Rb6  1  0.125  0.875  0.750  1.0
  Rb  Rb7  1  0.875  0.125  0.250  1.0
[/CIF]
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