The crystal structure described by NaLu(ReO5)4 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one Re(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one Lu(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Re(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Lu(1) and one Re(1) atom. is represented by the CIF file [CIF]
data_NaLu(ReO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   12.325
_cell_length_c   12.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   900.543
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.250  0.000  0.500  1.0
  Lu  Lu3  1  0.750  0.500  0.000  1.0
  Re  Re4  1  0.030  0.416  0.276  1.0
  Re  Re5  1  0.030  0.584  0.724  1.0
  Re  Re6  1  0.970  0.276  0.584  1.0
  Re  Re7  1  0.530  0.916  0.224  1.0
  Re  Re8  1  0.970  0.724  0.416  1.0
  Re  Re9  1  0.530  0.084  0.776  1.0
  Re  Re10  1  0.470  0.776  0.916  1.0
  Re  Re11  1  0.470  0.224  0.084  1.0
  O  O12  1  0.201  0.188  0.041  1.0
  O  O13  1  0.201  0.812  0.959  1.0
  O  O14  1  0.799  0.041  0.812  1.0
  O  O15  1  0.701  0.688  0.459  1.0
  O  O16  1  0.799  0.959  0.188  1.0
  O  O17  1  0.701  0.312  0.541  1.0
  O  O18  1  0.299  0.541  0.688  1.0
  O  O19  1  0.299  0.459  0.312  1.0
  O  O20  1  0.169  0.359  0.523  1.0
  O  O21  1  0.169  0.641  0.477  1.0
  O  O22  1  0.831  0.523  0.641  1.0
  O  O23  1  0.669  0.859  0.977  1.0
  O  O24  1  0.831  0.477  0.359  1.0
  O  O25  1  0.669  0.141  0.023  1.0
  O  O26  1  0.331  0.023  0.859  1.0
  O  O27  1  0.331  0.977  0.141  1.0
  O  O28  1  0.026  0.135  0.551  1.0
  O  O29  1  0.026  0.865  0.449  1.0
  O  O30  1  0.974  0.551  0.865  1.0
  O  O31  1  0.526  0.635  0.949  1.0
  O  O32  1  0.974  0.449  0.135  1.0
  O  O33  1  0.526  0.365  0.051  1.0
  O  O34  1  0.474  0.051  0.635  1.0
  O  O35  1  0.474  0.949  0.365  1.0
  O  O36  1  0.490  0.208  0.223  1.0
  O  O37  1  0.490  0.792  0.777  1.0
  O  O38  1  0.510  0.223  0.792  1.0
  O  O39  1  0.990  0.708  0.277  1.0
  O  O40  1  0.510  0.777  0.208  1.0
  O  O41  1  0.990  0.292  0.723  1.0
  O  O42  1  0.010  0.723  0.708  1.0
  O  O43  1  0.010  0.277  0.292  1.0
  O  O44  1  0.005  0.073  0.369  1.0
  O  O45  1  0.005  0.927  0.631  1.0
  O  O46  1  0.995  0.369  0.927  1.0
  O  O47  1  0.505  0.573  0.131  1.0
  O  O48  1  0.995  0.631  0.073  1.0
  O  O49  1  0.505  0.427  0.869  1.0
  O  O50  1  0.495  0.869  0.573  1.0
  O  O51  1  0.495  0.131  0.427  1.0
[/CIF]
.
The crystal structure described by NaLu(ReO5)4 crystallizes in the tetragonal P-4n2 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(5) atoms. Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Re(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Na(1) and one Re(1) atom. In the third O site, O(5) is bonded in a single-bond geometry to one Lu(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Re(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Lu(1) and one Re(1) atom. is represented by the CIF file [CIF]
data_NaLu(ReO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   12.325
_cell_length_c   12.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   900.543
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.250  0.000  0.500  1.0
  Lu  Lu3  1  0.750  0.500  0.000  1.0
  Re  Re4  1  0.030  0.416  0.276  1.0
  Re  Re5  1  0.030  0.584  0.724  1.0
  Re  Re6  1  0.970  0.276  0.584  1.0
  Re  Re7  1  0.530  0.916  0.224  1.0
  Re  Re8  1  0.970  0.724  0.416  1.0
  Re  Re9  1  0.530  0.084  0.776  1.0
  Re  Re10  1  0.470  0.776  0.916  1.0
  Re  Re11  1  0.470  0.224  0.084  1.0
  O  O12  1  0.201  0.188  0.041  1.0
  O  O13  1  0.201  0.812  0.959  1.0
  O  O14  1  0.799  0.041  0.812  1.0
  O  O15  1  0.701  0.688  0.459  1.0
  O  O16  1  0.799  0.959  0.188  1.0
  O  O17  1  0.701  0.312  0.541  1.0
  O  O18  1  0.299  0.541  0.688  1.0
  O  O19  1  0.299  0.459  0.312  1.0
  O  O20  1  0.169  0.359  0.523  1.0
  O  O21  1  0.169  0.641  0.477  1.0
  O  O22  1  0.831  0.523  0.641  1.0
  O  O23  1  0.669  0.859  0.977  1.0
  O  O24  1  0.831  0.477  0.359  1.0
  O  O25  1  0.669  0.141  0.023  1.0
  O  O26  1  0.331  0.023  0.859  1.0
  O  O27  1  0.331  0.977  0.141  1.0
  O  O28  1  0.026  0.135  0.551  1.0
  O  O29  1  0.026  0.865  0.449  1.0
  O  O30  1  0.974  0.551  0.865  1.0
  O  O31  1  0.526  0.635  0.949  1.0
  O  O32  1  0.974  0.449  0.135  1.0
  O  O33  1  0.526  0.365  0.051  1.0
  O  O34  1  0.474  0.051  0.635  1.0
  O  O35  1  0.474  0.949  0.365  1.0
  O  O36  1  0.490  0.208  0.223  1.0
  O  O37  1  0.490  0.792  0.777  1.0
  O  O38  1  0.510  0.223  0.792  1.0
  O  O39  1  0.990  0.708  0.277  1.0
  O  O40  1  0.510  0.777  0.208  1.0
  O  O41  1  0.990  0.292  0.723  1.0
  O  O42  1  0.010  0.723  0.708  1.0
  O  O43  1  0.010  0.277  0.292  1.0
  O  O44  1  0.005  0.073  0.369  1.0
  O  O45  1  0.005  0.927  0.631  1.0
  O  O46  1  0.995  0.369  0.927  1.0
  O  O47  1  0.505  0.573  0.131  1.0
  O  O48  1  0.995  0.631  0.073  1.0
  O  O49  1  0.505  0.427  0.869  1.0
  O  O50  1  0.495  0.869  0.573  1.0
  O  O51  1  0.495  0.131  0.427  1.0
[/CIF]
.