The material structure described by YReN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent N(2) and six equivalent N(1) atoms. Re(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles range from 27-29°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Re(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.596
_cell_length_c   7.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.493
_cell_formula_units_Z   4
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
  Y  Y0  1  0.488  0.440  0.250  1.0
  Y  Y1  1  0.012  0.940  0.250  1.0
  Y  Y2  1  0.512  0.560  0.750  1.0
  Y  Y3  1  0.988  0.060  0.750  1.0
  Re  Re4  1  0.500  0.000  0.500  1.0
  Re  Re5  1  0.000  0.500  0.000  1.0
  Re  Re6  1  0.000  0.500  0.500  1.0
  Re  Re7  1  0.500  0.000  0.000  1.0
  N  N8  1  0.700  0.297  0.544  1.0
  N  N9  1  0.300  0.703  0.044  1.0
  N  N10  1  0.200  0.203  0.044  1.0
  N  N11  1  0.418  0.982  0.750  1.0
  N  N12  1  0.918  0.518  0.250  1.0
  N  N13  1  0.300  0.703  0.456  1.0
  N  N14  1  0.800  0.797  0.956  1.0
  N  N15  1  0.700  0.297  0.956  1.0
  N  N16  1  0.800  0.797  0.544  1.0
  N  N17  1  0.082  0.482  0.750  1.0
  N  N18  1  0.200  0.203  0.456  1.0
  N  N19  1  0.582  0.018  0.250  1.0
[/CIF]
.
The material structure described by YReN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent N(2) and six equivalent N(1) atoms. Re(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles range from 27-29°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Re(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.596
_cell_length_c   7.686
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.493
_cell_formula_units_Z   4
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
  Y  Y0  1  0.488  0.440  0.250  1.0
  Y  Y1  1  0.012  0.940  0.250  1.0
  Y  Y2  1  0.512  0.560  0.750  1.0
  Y  Y3  1  0.988  0.060  0.750  1.0
  Re  Re4  1  0.500  0.000  0.500  1.0
  Re  Re5  1  0.000  0.500  0.000  1.0
  Re  Re6  1  0.000  0.500  0.500  1.0
  Re  Re7  1  0.500  0.000  0.000  1.0
  N  N8  1  0.700  0.297  0.544  1.0
  N  N9  1  0.300  0.703  0.044  1.0
  N  N10  1  0.200  0.203  0.044  1.0
  N  N11  1  0.418  0.982  0.750  1.0
  N  N12  1  0.918  0.518  0.250  1.0
  N  N13  1  0.300  0.703  0.456  1.0
  N  N14  1  0.800  0.797  0.956  1.0
  N  N15  1  0.700  0.297  0.956  1.0
  N  N16  1  0.800  0.797  0.544  1.0
  N  N17  1  0.082  0.482  0.750  1.0
  N  N18  1  0.200  0.203  0.456  1.0
  N  N19  1  0.582  0.018  0.250  1.0
[/CIF]
.