The compound described by Hf9Re4O3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Re(1) and two equivalent O(1) atoms. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Re(2), three equivalent Re(1), and two equivalent O(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Hf(1), six equivalent Hf(2), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReHf8Re4 cuboctahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, corners with four equivalent O(1)Hf6 octahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, faces with six equivalent Re(1)Hf8Re4 cuboctahedra, and faces with four equivalent O(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Re site, Re(2) is bonded to six equivalent Hf(2) and six equivalent Re(1) atoms to form ReHf6Re6 cuboctahedra that share edges with six equivalent O(1)Hf6 octahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. O(1) is bonded to two equivalent Hf(1) and four equivalent Hf(2) atoms to form OHf6 octahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, corners with six equivalent O(1)Hf6 octahedra, edges with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with four equivalent Re(1)Hf8Re4 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-45°. is represented by the CIF file [CIF]
data_Hf9Re4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.409
_cell_length_b   8.409
_cell_length_c   8.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   520.020
_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
  Hf  Hf0  1  0.452  0.904  0.250  1.0
  Hf  Hf1  1  0.548  0.096  0.750  1.0
  Hf  Hf2  1  0.096  0.548  0.250  1.0
  Hf  Hf3  1  0.904  0.452  0.750  1.0
  Hf  Hf4  1  0.452  0.548  0.250  1.0
  Hf  Hf5  1  0.548  0.452  0.750  1.0
  Hf  Hf6  1  0.202  0.404  0.561  1.0
  Hf  Hf7  1  0.798  0.596  0.439  1.0
  Hf  Hf8  1  0.596  0.798  0.561  1.0
  Hf  Hf9  1  0.798  0.596  0.061  1.0
  Hf  Hf10  1  0.404  0.202  0.439  1.0
  Hf  Hf11  1  0.202  0.404  0.939  1.0
  Hf  Hf12  1  0.202  0.798  0.561  1.0
  Hf  Hf13  1  0.404  0.202  0.061  1.0
  Hf  Hf14  1  0.798  0.202  0.439  1.0
  Hf  Hf15  1  0.596  0.798  0.939  1.0
  Hf  Hf16  1  0.798  0.202  0.061  1.0
  Hf  Hf17  1  0.202  0.798  0.939  1.0
  Re  Re18  1  0.110  0.220  0.250  1.0
  Re  Re19  1  0.890  0.780  0.750  1.0
  Re  Re20  1  0.780  0.890  0.250  1.0
  Re  Re21  1  0.220  0.110  0.750  1.0
  Re  Re22  1  0.110  0.890  0.250  1.0
  Re  Re23  1  0.890  0.110  0.750  1.0
  Re  Re24  1  0.000  1.000  1.000  1.0
  Re  Re25  1  1.000  1.000  0.500  1.0
  O  O26  1  0.500  1.000  1.000  1.0
  O  O27  1  0.000  0.500  1.000  1.0
  O  O28  1  0.500  1.000  0.500  1.0
  O  O29  1  0.500  0.500  1.000  1.0
  O  O30  1  0.000  0.500  0.500  1.0
  O  O31  1  0.500  0.500  0.500  1.0
[/CIF]
.
The compound described by Hf9Re4O3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Re(1) and two equivalent O(1) atoms. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Re(2), three equivalent Re(1), and two equivalent O(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent Hf(1), six equivalent Hf(2), two equivalent Re(1), and two equivalent Re(2) atoms to form distorted ReHf8Re4 cuboctahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, corners with four equivalent O(1)Hf6 octahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, faces with six equivalent Re(1)Hf8Re4 cuboctahedra, and faces with four equivalent O(1)Hf6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Re site, Re(2) is bonded to six equivalent Hf(2) and six equivalent Re(1) atoms to form ReHf6Re6 cuboctahedra that share edges with six equivalent O(1)Hf6 octahedra, faces with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with six equivalent Re(1)Hf8Re4 cuboctahedra. O(1) is bonded to two equivalent Hf(1) and four equivalent Hf(2) atoms to form OHf6 octahedra that share corners with four equivalent Re(1)Hf8Re4 cuboctahedra, corners with six equivalent O(1)Hf6 octahedra, edges with two equivalent Re(2)Hf6Re6 cuboctahedra, and faces with four equivalent Re(1)Hf8Re4 cuboctahedra. The corner-sharing octahedral tilt angles range from 36-45°. is represented by the CIF file [CIF]
data_Hf9Re4O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.409
_cell_length_b   8.409
_cell_length_c   8.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   520.020
_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
  Hf  Hf0  1  0.452  0.904  0.250  1.0
  Hf  Hf1  1  0.548  0.096  0.750  1.0
  Hf  Hf2  1  0.096  0.548  0.250  1.0
  Hf  Hf3  1  0.904  0.452  0.750  1.0
  Hf  Hf4  1  0.452  0.548  0.250  1.0
  Hf  Hf5  1  0.548  0.452  0.750  1.0
  Hf  Hf6  1  0.202  0.404  0.561  1.0
  Hf  Hf7  1  0.798  0.596  0.439  1.0
  Hf  Hf8  1  0.596  0.798  0.561  1.0
  Hf  Hf9  1  0.798  0.596  0.061  1.0
  Hf  Hf10  1  0.404  0.202  0.439  1.0
  Hf  Hf11  1  0.202  0.404  0.939  1.0
  Hf  Hf12  1  0.202  0.798  0.561  1.0
  Hf  Hf13  1  0.404  0.202  0.061  1.0
  Hf  Hf14  1  0.798  0.202  0.439  1.0
  Hf  Hf15  1  0.596  0.798  0.939  1.0
  Hf  Hf16  1  0.798  0.202  0.061  1.0
  Hf  Hf17  1  0.202  0.798  0.939  1.0
  Re  Re18  1  0.110  0.220  0.250  1.0
  Re  Re19  1  0.890  0.780  0.750  1.0
  Re  Re20  1  0.780  0.890  0.250  1.0
  Re  Re21  1  0.220  0.110  0.750  1.0
  Re  Re22  1  0.110  0.890  0.250  1.0
  Re  Re23  1  0.890  0.110  0.750  1.0
  Re  Re24  1  0.000  1.000  1.000  1.0
  Re  Re25  1  1.000  1.000  0.500  1.0
  O  O26  1  0.500  1.000  1.000  1.0
  O  O27  1  0.000  0.500  1.000  1.0
  O  O28  1  0.500  1.000  0.500  1.0
  O  O29  1  0.500  0.500  1.000  1.0
  O  O30  1  0.000  0.500  0.500  1.0
  O  O31  1  0.500  0.500  0.500  1.0
[/CIF]
.