The structure described by Li2LuSiO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-78°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with five equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form LuO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with five equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Lu(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Lu(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Li2LuSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   5.437
_cell_length_c   8.363
_cell_angle_alpha   106.244
_cell_angle_beta   100.560
_cell_angle_gamma   102.268
_symmetry_Int_Tables_number   1
_cell_volume   216.801
_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
  Li  Li0  1  0.199  0.167  0.484  1.0
  Li  Li1  1  0.801  0.833  0.516  1.0
  Li  Li2  1  0.037  0.259  0.956  1.0
  Li  Li3  1  0.963  0.741  0.044  1.0
  Lu  Lu4  1  0.614  0.231  0.242  1.0
  Lu  Lu5  1  0.386  0.769  0.758  1.0
  Si  Si6  1  0.223  0.688  0.325  1.0
  Si  Si7  1  0.777  0.312  0.675  1.0
  O  O8  1  0.492  0.582  0.341  1.0
  O  O9  1  0.508  0.418  0.659  1.0
  O  O10  1  0.258  0.955  0.264  1.0
  O  O11  1  0.742  0.045  0.736  1.0
  O  O12  1  0.156  0.785  0.515  1.0
  O  O13  1  0.844  0.215  0.485  1.0
  O  O14  1  0.967  0.457  0.177  1.0
  O  O15  1  0.033  0.543  0.823  1.0
  O  O16  1  0.366  0.116  0.969  1.0
  O  O17  1  0.634  0.884  0.031  1.0
[/CIF]
.
The structure described by Li2LuSiO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-78°. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with five equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-68°. Lu(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form LuO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, corners with five equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Lu(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Lu(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Lu(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Lu(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2LuSi trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Li2LuSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   5.437
_cell_length_c   8.363
_cell_angle_alpha   106.244
_cell_angle_beta   100.560
_cell_angle_gamma   102.268
_symmetry_Int_Tables_number   1
_cell_volume   216.801
_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
  Li  Li0  1  0.199  0.167  0.484  1.0
  Li  Li1  1  0.801  0.833  0.516  1.0
  Li  Li2  1  0.037  0.259  0.956  1.0
  Li  Li3  1  0.963  0.741  0.044  1.0
  Lu  Lu4  1  0.614  0.231  0.242  1.0
  Lu  Lu5  1  0.386  0.769  0.758  1.0
  Si  Si6  1  0.223  0.688  0.325  1.0
  Si  Si7  1  0.777  0.312  0.675  1.0
  O  O8  1  0.492  0.582  0.341  1.0
  O  O9  1  0.508  0.418  0.659  1.0
  O  O10  1  0.258  0.955  0.264  1.0
  O  O11  1  0.742  0.045  0.736  1.0
  O  O12  1  0.156  0.785  0.515  1.0
  O  O13  1  0.844  0.215  0.485  1.0
  O  O14  1  0.967  0.457  0.177  1.0
  O  O15  1  0.033  0.543  0.823  1.0
  O  O16  1  0.366  0.116  0.969  1.0
  O  O17  1  0.634  0.884  0.031  1.0
[/CIF]
.