The material described by Ba5(ReO5)3NO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(4), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(2) atoms. Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(1) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OBa3Re tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Ba(1) and one N(1) atom. is represented by the CIF card [CIF]
data_Ba5Re3NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.467
_cell_length_b   11.467
_cell_length_c   7.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   889.895
_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
  Ba  Ba0  1  0.279  0.279  0.252  1.0
  Ba  Ba1  1  0.000  0.721  0.252  1.0
  Ba  Ba2  1  0.667  0.333  0.503  1.0
  Ba  Ba3  1  0.721  0.000  0.252  1.0
  Ba  Ba4  1  0.000  0.279  0.752  1.0
  Ba  Ba5  1  0.333  0.667  0.503  1.0
  Ba  Ba6  1  0.667  0.333  0.003  1.0
  Ba  Ba7  1  0.279  0.000  0.752  1.0
  Ba  Ba8  1  0.333  0.667  0.003  1.0
  Ba  Ba9  1  0.721  0.721  0.752  1.0
  Re  Re10  1  0.396  0.396  0.802  1.0
  Re  Re11  1  0.000  0.396  0.302  1.0
  Re  Re12  1  0.396  0.000  0.302  1.0
  Re  Re13  1  0.604  0.000  0.802  1.0
  Re  Re14  1  0.000  0.604  0.802  1.0
  Re  Re15  1  0.604  0.604  0.302  1.0
  N  N16  1  0.000  0.000  0.439  1.0
  N  N17  1  0.000  0.000  0.939  1.0
  O  O18  1  0.695  0.000  0.620  1.0
  O  O19  1  0.450  0.872  0.261  1.0
  O  O20  1  0.871  0.268  0.444  1.0
  O  O21  1  0.397  0.268  0.944  1.0
  O  O22  1  0.889  0.889  0.437  1.0
  O  O23  1  0.423  0.550  0.261  1.0
  O  O24  1  0.000  0.889  0.937  1.0
  O  O25  1  0.000  0.111  0.437  1.0
  O  O26  1  0.577  0.128  0.261  1.0
  O  O27  1  0.732  0.129  0.944  1.0
  O  O28  1  0.872  0.423  0.761  1.0
  O  O29  1  0.450  0.577  0.761  1.0
  O  O30  1  0.695  0.695  0.120  1.0
  O  O31  1  0.128  0.577  0.261  1.0
  O  O32  1  0.000  0.695  0.620  1.0
  O  O33  1  0.129  0.732  0.944  1.0
  O  O34  1  0.889  0.000  0.937  1.0
  O  O35  1  0.872  0.450  0.261  1.0
  O  O36  1  0.128  0.550  0.761  1.0
  O  O37  1  0.268  0.397  0.944  1.0
  O  O38  1  0.268  0.871  0.444  1.0
  O  O39  1  0.129  0.397  0.444  1.0
  O  O40  1  0.305  0.000  0.120  1.0
  O  O41  1  0.397  0.129  0.444  1.0
  O  O42  1  0.603  0.732  0.444  1.0
  O  O43  1  0.423  0.872  0.761  1.0
  O  O44  1  0.111  0.000  0.437  1.0
  O  O45  1  0.577  0.450  0.761  1.0
  O  O46  1  0.603  0.871  0.944  1.0
  O  O47  1  0.550  0.423  0.261  1.0
  O  O48  1  0.111  0.111  0.937  1.0
  O  O49  1  0.000  0.305  0.120  1.0
  O  O50  1  0.550  0.128  0.761  1.0
  O  O51  1  0.732  0.603  0.444  1.0
  O  O52  1  0.871  0.603  0.944  1.0
  O  O53  1  0.305  0.305  0.620  1.0
[/CIF]
.
The material described by Ba5(ReO5)3NO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), three equivalent O(4), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(3) and six equivalent O(2) atoms. Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. N(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(1) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OBa3Re tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Re(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Ba(1) and one N(1) atom. is represented by the CIF card [CIF]
data_Ba5Re3NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.467
_cell_length_b   11.467
_cell_length_c   7.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   889.895
_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
  Ba  Ba0  1  0.279  0.279  0.252  1.0
  Ba  Ba1  1  0.000  0.721  0.252  1.0
  Ba  Ba2  1  0.667  0.333  0.503  1.0
  Ba  Ba3  1  0.721  0.000  0.252  1.0
  Ba  Ba4  1  0.000  0.279  0.752  1.0
  Ba  Ba5  1  0.333  0.667  0.503  1.0
  Ba  Ba6  1  0.667  0.333  0.003  1.0
  Ba  Ba7  1  0.279  0.000  0.752  1.0
  Ba  Ba8  1  0.333  0.667  0.003  1.0
  Ba  Ba9  1  0.721  0.721  0.752  1.0
  Re  Re10  1  0.396  0.396  0.802  1.0
  Re  Re11  1  0.000  0.396  0.302  1.0
  Re  Re12  1  0.396  0.000  0.302  1.0
  Re  Re13  1  0.604  0.000  0.802  1.0
  Re  Re14  1  0.000  0.604  0.802  1.0
  Re  Re15  1  0.604  0.604  0.302  1.0
  N  N16  1  0.000  0.000  0.439  1.0
  N  N17  1  0.000  0.000  0.939  1.0
  O  O18  1  0.695  0.000  0.620  1.0
  O  O19  1  0.450  0.872  0.261  1.0
  O  O20  1  0.871  0.268  0.444  1.0
  O  O21  1  0.397  0.268  0.944  1.0
  O  O22  1  0.889  0.889  0.437  1.0
  O  O23  1  0.423  0.550  0.261  1.0
  O  O24  1  0.000  0.889  0.937  1.0
  O  O25  1  0.000  0.111  0.437  1.0
  O  O26  1  0.577  0.128  0.261  1.0
  O  O27  1  0.732  0.129  0.944  1.0
  O  O28  1  0.872  0.423  0.761  1.0
  O  O29  1  0.450  0.577  0.761  1.0
  O  O30  1  0.695  0.695  0.120  1.0
  O  O31  1  0.128  0.577  0.261  1.0
  O  O32  1  0.000  0.695  0.620  1.0
  O  O33  1  0.129  0.732  0.944  1.0
  O  O34  1  0.889  0.000  0.937  1.0
  O  O35  1  0.872  0.450  0.261  1.0
  O  O36  1  0.128  0.550  0.761  1.0
  O  O37  1  0.268  0.397  0.944  1.0
  O  O38  1  0.268  0.871  0.444  1.0
  O  O39  1  0.129  0.397  0.444  1.0
  O  O40  1  0.305  0.000  0.120  1.0
  O  O41  1  0.397  0.129  0.444  1.0
  O  O42  1  0.603  0.732  0.444  1.0
  O  O43  1  0.423  0.872  0.761  1.0
  O  O44  1  0.111  0.000  0.437  1.0
  O  O45  1  0.577  0.450  0.761  1.0
  O  O46  1  0.603  0.871  0.944  1.0
  O  O47  1  0.550  0.423  0.261  1.0
  O  O48  1  0.111  0.111  0.937  1.0
  O  O49  1  0.000  0.305  0.120  1.0
  O  O50  1  0.550  0.128  0.761  1.0
  O  O51  1  0.732  0.603  0.444  1.0
  O  O52  1  0.871  0.603  0.944  1.0
  O  O53  1  0.305  0.305  0.620  1.0
[/CIF]
.