The material described by YReN3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent N(1), four equivalent N(2), and four equivalent N(3) atoms. Re(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. In the third N site, N(3) is bonded in a 4-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_YReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   3.951
_cell_length_c   3.951
_cell_angle_alpha   89.707
_cell_angle_beta   89.063
_cell_angle_gamma   88.105
_symmetry_Int_Tables_number   1
_cell_volume   61.422
_cell_formula_units_Z   1
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  0.935  0.960  0.981  1.0
  Re  Re1  1  0.521  0.502  0.503  1.0
  N  N2  1  0.537  0.508  0.004  1.0
  N  N3  1  0.029  0.514  0.508  1.0
  N  N4  1  0.539  0.006  0.505  1.0
[/CIF]
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The material described by YReN3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. Y(1) is bonded in a 12-coordinate geometry to four equivalent N(1), four equivalent N(2), and four equivalent N(3) atoms. Re(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. In the third N site, N(3) is bonded in a 4-coordinate geometry to four equivalent Y(1) and two equivalent Re(1) atoms. is represented by the CIF card [CIF]
data_YReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.938
_cell_length_b   3.951
_cell_length_c   3.951
_cell_angle_alpha   89.707
_cell_angle_beta   89.063
_cell_angle_gamma   88.105
_symmetry_Int_Tables_number   1
_cell_volume   61.422
_cell_formula_units_Z   1
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  0.935  0.960  0.981  1.0
  Re  Re1  1  0.521  0.502  0.503  1.0
  N  N2  1  0.537  0.508  0.004  1.0
  N  N3  1  0.029  0.514  0.508  1.0
  N  N4  1  0.539  0.006  0.505  1.0
[/CIF]
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