The material described by Rb6ReN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Re(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Rb(1), four equivalent Rb(2), and one Re(1) atom. is represented by the CIF file [CIF]
data_Rb6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.803
_cell_length_b   8.803
_cell_length_c   7.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.494
_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
  Rb  Rb0  1  0.000  0.500  0.749  1.0
  Rb  Rb1  1  0.500  0.000  0.751  1.0
  Rb  Rb2  1  0.500  0.000  0.251  1.0
  Rb  Rb3  1  0.000  0.500  0.249  1.0
  Rb  Rb4  1  0.213  0.213  0.500  1.0
  Rb  Rb5  1  0.787  0.787  0.500  1.0
  Rb  Rb6  1  0.713  0.713  0.000  1.0
  Rb  Rb7  1  0.287  0.287  0.000  1.0
  Rb  Rb8  1  0.787  0.213  0.500  1.0
  Rb  Rb9  1  0.213  0.787  0.500  1.0
  Rb  Rb10  1  0.287  0.713  0.000  1.0
  Rb  Rb11  1  0.713  0.287  0.000  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.324  0.500  0.361  1.0
  N  N15  1  0.676  0.500  0.361  1.0
  N  N16  1  0.824  0.000  0.139  1.0
  N  N17  1  0.176  0.000  0.139  1.0
  N  N18  1  0.500  0.324  0.639  1.0
  N  N19  1  0.500  0.676  0.639  1.0
  N  N20  1  0.000  0.824  0.861  1.0
  N  N21  1  0.000  0.176  0.861  1.0
[/CIF]
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The material described by Rb6ReN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Re(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Rb(1), four equivalent Rb(2), and one Re(1) atom. is represented by the CIF file [CIF]
data_Rb6ReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.803
_cell_length_b   8.803
_cell_length_c   7.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.494
_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
  Rb  Rb0  1  0.000  0.500  0.749  1.0
  Rb  Rb1  1  0.500  0.000  0.751  1.0
  Rb  Rb2  1  0.500  0.000  0.251  1.0
  Rb  Rb3  1  0.000  0.500  0.249  1.0
  Rb  Rb4  1  0.213  0.213  0.500  1.0
  Rb  Rb5  1  0.787  0.787  0.500  1.0
  Rb  Rb6  1  0.713  0.713  0.000  1.0
  Rb  Rb7  1  0.287  0.287  0.000  1.0
  Rb  Rb8  1  0.787  0.213  0.500  1.0
  Rb  Rb9  1  0.213  0.787  0.500  1.0
  Rb  Rb10  1  0.287  0.713  0.000  1.0
  Rb  Rb11  1  0.713  0.287  0.000  1.0
  Re  Re12  1  0.500  0.500  0.500  1.0
  Re  Re13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.324  0.500  0.361  1.0
  N  N15  1  0.676  0.500  0.361  1.0
  N  N16  1  0.824  0.000  0.139  1.0
  N  N17  1  0.176  0.000  0.139  1.0
  N  N18  1  0.500  0.324  0.639  1.0
  N  N19  1  0.500  0.676  0.639  1.0
  N  N20  1  0.000  0.824  0.861  1.0
  N  N21  1  0.000  0.176  0.861  1.0
[/CIF]
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