The crystal structure described by NaLuTiO4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(3) atoms. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Lu(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to five equivalent Na(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded to two equivalent Lu(1) and two equivalent Ti(1) atoms to form distorted edge-sharing OLu2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_NaLuTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.404
_cell_length_c   12.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.900
_cell_formula_units_Z   4
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  0.250  0.499  0.587  1.0
  Na  Na1  1  0.750  0.501  0.413  1.0
  Na  Na2  1  0.250  0.999  0.413  1.0
  Na  Na3  1  0.750  0.001  0.587  1.0
  Lu  Lu4  1  0.250  0.970  0.104  1.0
  Lu  Lu5  1  0.750  0.030  0.896  1.0
  Lu  Lu6  1  0.250  0.470  0.896  1.0
  Lu  Lu7  1  0.750  0.530  0.104  1.0
  Ti  Ti8  1  0.250  0.491  0.257  1.0
  Ti  Ti9  1  0.750  0.509  0.743  1.0
  Ti  Ti10  1  0.250  0.991  0.743  1.0
  Ti  Ti11  1  0.750  0.009  0.257  1.0
  O  O12  1  0.250  0.582  0.060  1.0
  O  O13  1  0.750  0.418  0.940  1.0
  O  O14  1  0.250  0.082  0.940  1.0
  O  O15  1  0.750  0.918  0.060  1.0
  O  O16  1  0.000  0.750  0.237  1.0
  O  O17  1  0.000  0.250  0.763  1.0
  O  O18  1  0.500  0.250  0.763  1.0
  O  O19  1  0.500  0.750  0.237  1.0
  O  O20  1  0.250  0.959  0.600  1.0
  O  O21  1  0.750  0.041  0.400  1.0
  O  O22  1  0.250  0.459  0.400  1.0
  O  O23  1  0.750  0.541  0.600  1.0
  O  O24  1  0.000  0.750  0.796  1.0
  O  O25  1  0.000  0.250  0.204  1.0
  O  O26  1  0.500  0.250  0.204  1.0
  O  O27  1  0.500  0.750  0.796  1.0
[/CIF]
.
The crystal structure described by NaLuTiO4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(3) atoms. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Lu(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to five equivalent Na(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded to two equivalent Lu(1) and two equivalent Ti(1) atoms to form distorted edge-sharing OLu2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_NaLuTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   5.404
_cell_length_c   12.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.900
_cell_formula_units_Z   4
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  0.250  0.499  0.587  1.0
  Na  Na1  1  0.750  0.501  0.413  1.0
  Na  Na2  1  0.250  0.999  0.413  1.0
  Na  Na3  1  0.750  0.001  0.587  1.0
  Lu  Lu4  1  0.250  0.970  0.104  1.0
  Lu  Lu5  1  0.750  0.030  0.896  1.0
  Lu  Lu6  1  0.250  0.470  0.896  1.0
  Lu  Lu7  1  0.750  0.530  0.104  1.0
  Ti  Ti8  1  0.250  0.491  0.257  1.0
  Ti  Ti9  1  0.750  0.509  0.743  1.0
  Ti  Ti10  1  0.250  0.991  0.743  1.0
  Ti  Ti11  1  0.750  0.009  0.257  1.0
  O  O12  1  0.250  0.582  0.060  1.0
  O  O13  1  0.750  0.418  0.940  1.0
  O  O14  1  0.250  0.082  0.940  1.0
  O  O15  1  0.750  0.918  0.060  1.0
  O  O16  1  0.000  0.750  0.237  1.0
  O  O17  1  0.000  0.250  0.763  1.0
  O  O18  1  0.500  0.250  0.763  1.0
  O  O19  1  0.500  0.750  0.237  1.0
  O  O20  1  0.250  0.959  0.600  1.0
  O  O21  1  0.750  0.041  0.400  1.0
  O  O22  1  0.250  0.459  0.400  1.0
  O  O23  1  0.750  0.541  0.600  1.0
  O  O24  1  0.000  0.750  0.796  1.0
  O  O25  1  0.000  0.250  0.204  1.0
  O  O26  1  0.500  0.250  0.204  1.0
  O  O27  1  0.500  0.750  0.796  1.0
[/CIF]
.