The material structure described by Li2Ti2V5O12 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(4) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(10)LiTiV3 square pyramid,  a cornercorner with one O(9)LiTiV3 square pyramid, corners with two equivalent O(7)Li2TiV2 square pyramids,  an edgeedge with one O(7)Li2TiV2 square pyramid,  an edgeedge with one O(5)LiTiV3 square pyramid, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), one V(1), one V(4), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid,  a cornercorner with one O(8)Li2TiV2 square pyramid, corners with two equivalent O(10)LiTiV3 square pyramids,  an edgeedge with one O(4)Li2TiV2 square pyramid,  an edgeedge with one O(10)LiTiV3 square pyramid, and edges with two equivalent O(9)LiTiV3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(8)Li2TiV2 square pyramid,  a cornercorner with one O(5)LiTiV3 square pyramid, corners with two equivalent O(4)Li2TiV2 square pyramids, corners with two equivalent O(10)LiTiV3 square pyramids,  an edgeedge with one O(4)Li2TiV2 square pyramid,  an edgeedge with one O(9)LiTiV3 square pyramid, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid,  a cornercorner with one O(5)LiTiV3 square pyramid, corners with two equivalent O(9)LiTiV3 square pyramids,  an edgeedge with one O(10)LiTiV3 square pyramid, edges with two equivalent O(4)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Ti(2), one V(1), one V(3), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(4)Li2TiV2 square pyramid,  a cornercorner with one O(10)LiTiV3 square pyramid, corners with two equivalent O(8)Li2TiV2 square pyramids,  an edgeedge with one O(7)Li2TiV2 square pyramid, edges with two equivalent O(10)LiTiV3 square pyramids, and edges with two equivalent O(5)LiTiV3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Ti(2), one V(1), one V(3), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(4)Li2TiV2 square pyramid,  a cornercorner with one O(9)LiTiV3 square pyramid, corners with two equivalent O(7)Li2TiV2 square pyramids, corners with two equivalent O(5)LiTiV3 square pyramids,  an edgeedge with one O(8)Li2TiV2 square pyramid,  an edgeedge with one O(5)LiTiV3 square pyramid, and edges with two equivalent O(9)LiTiV3 square pyramids. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_Li2Ti2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   5.137
_cell_length_c   9.920
_cell_angle_alpha   78.740
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.184
_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  0.582  0.756  0.499  1.0
  Li  Li1  1  0.590  0.511  0.264  1.0
  Li  Li2  1  0.082  0.244  0.501  1.0
  Li  Li3  1  0.090  0.489  0.736  1.0
  Ti  Ti4  1  0.754  0.219  0.512  1.0
  Ti  Ti5  1  0.752  0.772  0.994  1.0
  Ti  Ti6  1  0.252  0.228  0.006  1.0
  Ti  Ti7  1  0.254  0.781  0.488  1.0
  V  V8  1  0.922  0.261  0.009  1.0
  V  V9  1  0.929  0.747  0.487  1.0
  V  V10  1  0.747  0.997  0.258  1.0
  V  V11  1  0.739  0.509  0.742  1.0
  V  V12  1  0.573  0.253  0.006  1.0
  V  V13  1  0.429  0.253  0.513  1.0
  V  V14  1  0.422  0.739  0.991  1.0
  V  V15  1  0.247  0.003  0.742  1.0
  V  V16  1  0.239  0.491  0.258  1.0
  V  V17  1  0.073  0.747  0.994  1.0
  O  O18  1  0.897  0.114  0.386  1.0
  O  O19  1  0.900  0.886  0.110  1.0
  O  O20  1  0.762  0.873  0.611  1.0
  O  O21  1  0.897  0.401  0.617  1.0
  O  O22  1  0.896  0.613  0.881  1.0
  O  O23  1  0.751  0.134  0.893  1.0
  O  O24  1  0.601  0.148  0.389  1.0
  O  O25  1  0.749  0.645  0.378  1.0
  O  O26  1  0.746  0.371  0.120  1.0
  O  O27  1  0.597  0.860  0.116  1.0
  O  O28  1  0.597  0.627  0.883  1.0
  O  O29  1  0.600  0.377  0.615  1.0
  O  O30  1  0.397  0.886  0.614  1.0
  O  O31  1  0.400  0.114  0.890  1.0
  O  O32  1  0.262  0.127  0.389  1.0
  O  O33  1  0.397  0.599  0.383  1.0
  O  O34  1  0.251  0.866  0.107  1.0
  O  O35  1  0.396  0.387  0.119  1.0
  O  O36  1  0.249  0.355  0.622  1.0
  O  O37  1  0.097  0.140  0.884  1.0
  O  O38  1  0.101  0.852  0.611  1.0
  O  O39  1  0.246  0.629  0.880  1.0
  O  O40  1  0.100  0.623  0.385  1.0
  O  O41  1  0.097  0.373  0.117  1.0
[/CIF]
.
The material structure described by Li2Ti2V5O12 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second V site, V(2) is bonded to one O(1), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(2), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), one V(3), and one V(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(4) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(10)LiTiV3 square pyramid,  a cornercorner with one O(9)LiTiV3 square pyramid, corners with two equivalent O(7)Li2TiV2 square pyramids,  an edgeedge with one O(7)Li2TiV2 square pyramid,  an edgeedge with one O(5)LiTiV3 square pyramid, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), one V(1), one V(4), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid,  a cornercorner with one O(8)Li2TiV2 square pyramid, corners with two equivalent O(10)LiTiV3 square pyramids,  an edgeedge with one O(4)Li2TiV2 square pyramid,  an edgeedge with one O(10)LiTiV3 square pyramid, and edges with two equivalent O(9)LiTiV3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(8)Li2TiV2 square pyramid,  a cornercorner with one O(5)LiTiV3 square pyramid, corners with two equivalent O(4)Li2TiV2 square pyramids, corners with two equivalent O(10)LiTiV3 square pyramids,  an edgeedge with one O(4)Li2TiV2 square pyramid,  an edgeedge with one O(9)LiTiV3 square pyramid, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ti(1), one V(2), and one V(3) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid,  a cornercorner with one O(5)LiTiV3 square pyramid, corners with two equivalent O(9)LiTiV3 square pyramids,  an edgeedge with one O(10)LiTiV3 square pyramid, edges with two equivalent O(4)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Ti(2), one V(1), one V(3), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(4)Li2TiV2 square pyramid,  a cornercorner with one O(10)LiTiV3 square pyramid, corners with two equivalent O(8)Li2TiV2 square pyramids,  an edgeedge with one O(7)Li2TiV2 square pyramid, edges with two equivalent O(10)LiTiV3 square pyramids, and edges with two equivalent O(5)LiTiV3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Ti(2), one V(1), one V(3), and one V(5) atom to form OLiTiV3 square pyramids that share  a cornercorner with one O(4)Li2TiV2 square pyramid,  a cornercorner with one O(9)LiTiV3 square pyramid, corners with two equivalent O(7)Li2TiV2 square pyramids, corners with two equivalent O(5)LiTiV3 square pyramids,  an edgeedge with one O(8)Li2TiV2 square pyramid,  an edgeedge with one O(5)LiTiV3 square pyramid, and edges with two equivalent O(9)LiTiV3 square pyramids. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Ti(2), one V(1), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_Li2Ti2V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   5.137
_cell_length_c   9.920
_cell_angle_alpha   78.740
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.184
_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  0.582  0.756  0.499  1.0
  Li  Li1  1  0.590  0.511  0.264  1.0
  Li  Li2  1  0.082  0.244  0.501  1.0
  Li  Li3  1  0.090  0.489  0.736  1.0
  Ti  Ti4  1  0.754  0.219  0.512  1.0
  Ti  Ti5  1  0.752  0.772  0.994  1.0
  Ti  Ti6  1  0.252  0.228  0.006  1.0
  Ti  Ti7  1  0.254  0.781  0.488  1.0
  V  V8  1  0.922  0.261  0.009  1.0
  V  V9  1  0.929  0.747  0.487  1.0
  V  V10  1  0.747  0.997  0.258  1.0
  V  V11  1  0.739  0.509  0.742  1.0
  V  V12  1  0.573  0.253  0.006  1.0
  V  V13  1  0.429  0.253  0.513  1.0
  V  V14  1  0.422  0.739  0.991  1.0
  V  V15  1  0.247  0.003  0.742  1.0
  V  V16  1  0.239  0.491  0.258  1.0
  V  V17  1  0.073  0.747  0.994  1.0
  O  O18  1  0.897  0.114  0.386  1.0
  O  O19  1  0.900  0.886  0.110  1.0
  O  O20  1  0.762  0.873  0.611  1.0
  O  O21  1  0.897  0.401  0.617  1.0
  O  O22  1  0.896  0.613  0.881  1.0
  O  O23  1  0.751  0.134  0.893  1.0
  O  O24  1  0.601  0.148  0.389  1.0
  O  O25  1  0.749  0.645  0.378  1.0
  O  O26  1  0.746  0.371  0.120  1.0
  O  O27  1  0.597  0.860  0.116  1.0
  O  O28  1  0.597  0.627  0.883  1.0
  O  O29  1  0.600  0.377  0.615  1.0
  O  O30  1  0.397  0.886  0.614  1.0
  O  O31  1  0.400  0.114  0.890  1.0
  O  O32  1  0.262  0.127  0.389  1.0
  O  O33  1  0.397  0.599  0.383  1.0
  O  O34  1  0.251  0.866  0.107  1.0
  O  O35  1  0.396  0.387  0.119  1.0
  O  O36  1  0.249  0.355  0.622  1.0
  O  O37  1  0.097  0.140  0.884  1.0
  O  O38  1  0.101  0.852  0.611  1.0
  O  O39  1  0.246  0.629  0.880  1.0
  O  O40  1  0.100  0.623  0.385  1.0
  O  O41  1  0.097  0.373  0.117  1.0
[/CIF]
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