The structure described by BaNb2(XeF5)4XeF2 crystallizes in the orthorhombic Fmmm space group. The structure consists of four xenon;dihydrofluoride molecules inside a BaNb2(XeF5)4 framework. In the BaNb2(XeF5)4 framework, there are two inequivalent Xe sites. In the first Xe site, Xe(2) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Xe site, Xe(3) is bonded in a linear geometry to two equivalent F(3) atoms. Ba(1) is bonded to four equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form BaF12 cuboctahedra that share corners with four equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 21°. Nb(1) is bonded to two equivalent F(4) and four equivalent F(5) atoms to form NbF6 octahedra that share corners with two equivalent Ba(1)F12 cuboctahedra. There are four inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one Xe(2) and one Ba(1) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Xe(3) and one Ba(1) atom. In the third F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1) and one Nb(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_BaNb2Xe5F22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   9.519
_cell_length_c   9.421
_cell_angle_alpha   64.341
_cell_angle_beta   58.297
_cell_angle_gamma   57.362
_symmetry_Int_Tables_number   1
_cell_volume   633.633
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Xe  Xe3  1  0.000  0.000  0.000  1.0
  Xe  Xe4  1  0.000  0.000  0.500  1.0
  Xe  Xe5  1  0.500  0.500  0.000  1.0
  Xe  Xe6  1  0.000  0.500  0.500  1.0
  Xe  Xe7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.146  0.854  0.146  1.0
  F  F9  1  0.854  0.146  0.854  1.0
  F  F10  1  0.199  0.801  0.572  1.0
  F  F11  1  0.428  0.572  0.801  1.0
  F  F12  1  0.572  0.428  0.199  1.0
  F  F13  1  0.801  0.199  0.428  1.0
  F  F14  1  0.803  0.443  0.557  1.0
  F  F15  1  0.197  0.557  0.443  1.0
  F  F16  1  0.557  0.197  0.803  1.0
  F  F17  1  0.443  0.803  0.197  1.0
  F  F18  1  0.207  0.455  0.793  1.0
  F  F19  1  0.545  0.793  0.455  1.0
  F  F20  1  0.793  0.545  0.207  1.0
  F  F21  1  0.455  0.207  0.545  1.0
  F  F22  1  0.912  0.739  0.894  1.0
  F  F23  1  0.455  0.894  0.739  1.0
  F  F24  1  0.894  0.455  0.912  1.0
  F  F25  1  0.739  0.912  0.455  1.0
  F  F26  1  0.088  0.261  0.106  1.0
  F  F27  1  0.545  0.106  0.261  1.0
  F  F28  1  0.106  0.545  0.088  1.0
  F  F29  1  0.261  0.088  0.545  1.0
[/CIF]
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The structure described by BaNb2(XeF5)4XeF2 crystallizes in the orthorhombic Fmmm space group. The structure consists of four xenon;dihydrofluoride molecules inside a BaNb2(XeF5)4 framework. In the BaNb2(XeF5)4 framework, there are two inequivalent Xe sites. In the first Xe site, Xe(2) is bonded in a linear geometry to two equivalent F(2) atoms. In the second Xe site, Xe(3) is bonded in a linear geometry to two equivalent F(3) atoms. Ba(1) is bonded to four equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form BaF12 cuboctahedra that share corners with four equivalent Nb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 21°. Nb(1) is bonded to two equivalent F(4) and four equivalent F(5) atoms to form NbF6 octahedra that share corners with two equivalent Ba(1)F12 cuboctahedra. There are four inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one Xe(2) and one Ba(1) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Xe(3) and one Ba(1) atom. In the third F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1) and one Nb(1) atom. In the fourth F site, F(5) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF file [CIF]
data_BaNb2Xe5F22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   9.519
_cell_length_c   9.421
_cell_angle_alpha   64.341
_cell_angle_beta   58.297
_cell_angle_gamma   57.362
_symmetry_Int_Tables_number   1
_cell_volume   633.633
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Xe  Xe3  1  0.000  0.000  0.000  1.0
  Xe  Xe4  1  0.000  0.000  0.500  1.0
  Xe  Xe5  1  0.500  0.500  0.000  1.0
  Xe  Xe6  1  0.000  0.500  0.500  1.0
  Xe  Xe7  1  0.500  0.000  0.000  1.0
  F  F8  1  0.146  0.854  0.146  1.0
  F  F9  1  0.854  0.146  0.854  1.0
  F  F10  1  0.199  0.801  0.572  1.0
  F  F11  1  0.428  0.572  0.801  1.0
  F  F12  1  0.572  0.428  0.199  1.0
  F  F13  1  0.801  0.199  0.428  1.0
  F  F14  1  0.803  0.443  0.557  1.0
  F  F15  1  0.197  0.557  0.443  1.0
  F  F16  1  0.557  0.197  0.803  1.0
  F  F17  1  0.443  0.803  0.197  1.0
  F  F18  1  0.207  0.455  0.793  1.0
  F  F19  1  0.545  0.793  0.455  1.0
  F  F20  1  0.793  0.545  0.207  1.0
  F  F21  1  0.455  0.207  0.545  1.0
  F  F22  1  0.912  0.739  0.894  1.0
  F  F23  1  0.455  0.894  0.739  1.0
  F  F24  1  0.894  0.455  0.912  1.0
  F  F25  1  0.739  0.912  0.455  1.0
  F  F26  1  0.088  0.261  0.106  1.0
  F  F27  1  0.545  0.106  0.261  1.0
  F  F28  1  0.106  0.545  0.088  1.0
  F  F29  1  0.261  0.088  0.545  1.0
[/CIF]
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