The crystal structure described by Li2Sr2Nb4O13 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(5), and four equivalent O(2) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with five equivalent Nb(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Nb site, Nb(2) is bonded to one O(4), one O(5), and four equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Li(1) and one Nb(2) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)Sr4Nb2 octahedra, corners with four equivalent O(4)Li4Nb trigonal bipyramids, and edges with four equivalent O(4)Li4Nb trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one Nb(1), and one Nb(2) atom to form distorted OSr4Nb2 octahedra that share corners with four equivalent O(5)Sr4Nb2 octahedra,  a cornercorner with one O(4)Li4Nb trigonal bipyramid, and edges with four equivalent O(5)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Sr2Li2Nb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.490
_cell_length_b   17.490
_cell_length_c   17.490
_cell_angle_alpha   166.852
_cell_angle_beta   166.852
_cell_angle_gamma   18.636
_symmetry_Int_Tables_number   1
_cell_volume   276.806
_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
  Sr  Sr0  1  0.616  0.616  0.000  1.0
  Sr  Sr1  1  0.384  0.384  0.000  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.750  0.250  0.500  1.0
  Nb  Nb4  1  0.944  0.944  0.000  1.0
  Nb  Nb5  1  0.821  0.821  0.000  1.0
  Nb  Nb6  1  0.056  0.056  0.000  1.0
  Nb  Nb7  1  0.179  0.179  0.000  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.062  0.562  0.500  1.0
  O  O10  1  0.173  0.673  0.500  1.0
  O  O11  1  0.327  0.827  0.500  1.0
  O  O12  1  0.438  0.938  0.500  1.0
  O  O13  1  0.766  0.766  0.000  1.0
  O  O14  1  0.883  0.883  0.000  1.0
  O  O15  1  0.117  0.117  0.000  1.0
  O  O16  1  0.234  0.234  0.000  1.0
  O  O17  1  0.673  0.173  0.500  1.0
  O  O18  1  0.562  0.062  0.500  1.0
  O  O19  1  0.938  0.438  0.500  1.0
  O  O20  1  0.827  0.327  0.500  1.0
[/CIF]
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The crystal structure described by Li2Sr2Nb4O13 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(5), and four equivalent O(2) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with five equivalent Nb(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Nb site, Nb(2) is bonded to one O(4), one O(5), and four equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Li(1) and one Nb(2) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)Sr4Nb2 octahedra, corners with four equivalent O(4)Li4Nb trigonal bipyramids, and edges with four equivalent O(4)Li4Nb trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one Nb(1), and one Nb(2) atom to form distorted OSr4Nb2 octahedra that share corners with four equivalent O(5)Sr4Nb2 octahedra,  a cornercorner with one O(4)Li4Nb trigonal bipyramid, and edges with four equivalent O(5)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Sr2Li2Nb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.490
_cell_length_b   17.490
_cell_length_c   17.490
_cell_angle_alpha   166.852
_cell_angle_beta   166.852
_cell_angle_gamma   18.636
_symmetry_Int_Tables_number   1
_cell_volume   276.806
_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
  Sr  Sr0  1  0.616  0.616  0.000  1.0
  Sr  Sr1  1  0.384  0.384  0.000  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.750  0.250  0.500  1.0
  Nb  Nb4  1  0.944  0.944  0.000  1.0
  Nb  Nb5  1  0.821  0.821  0.000  1.0
  Nb  Nb6  1  0.056  0.056  0.000  1.0
  Nb  Nb7  1  0.179  0.179  0.000  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.062  0.562  0.500  1.0
  O  O10  1  0.173  0.673  0.500  1.0
  O  O11  1  0.327  0.827  0.500  1.0
  O  O12  1  0.438  0.938  0.500  1.0
  O  O13  1  0.766  0.766  0.000  1.0
  O  O14  1  0.883  0.883  0.000  1.0
  O  O15  1  0.117  0.117  0.000  1.0
  O  O16  1  0.234  0.234  0.000  1.0
  O  O17  1  0.673  0.173  0.500  1.0
  O  O18  1  0.562  0.062  0.500  1.0
  O  O19  1  0.938  0.438  0.500  1.0
  O  O20  1  0.827  0.327  0.500  1.0
[/CIF]
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