The material structure described by LiDy2Nb2O8 is Baddeleyite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid,  a cornercorner with one Dy(2)O7 pentagonal bipyramid, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Nb(2)O4 tetrahedra,  an edgeedge with one Dy(1)O7 pentagonal bipyramid, and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form DyO7 pentagonal bipyramids that share  a cornercorner with one Nb(2)O4 tetrahedra, corners with four equivalent Nb(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with three equivalent Dy(2)O7 pentagonal bipyramids,  an edgeedge with one Nb(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Dy site, Dy(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted DyO7 pentagonal bipyramids that share  a cornercorner with one Nb(1)O4 tetrahedra, corners with four equivalent Nb(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with three equivalent Dy(1)O7 pentagonal bipyramids,  an edgeedge with one Nb(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NbO4 tetrahedra that share  a cornercorner with one Dy(2)O7 pentagonal bipyramid, corners with four equivalent Dy(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. In the second Nb site, Nb(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form NbO4 tetrahedra that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid, corners with four equivalent Dy(2)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Dy(1)O7 pentagonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Dy(1), one Dy(2), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Dy(1), one Dy(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Dy(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1), one Dy(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Dy(1), one Dy(2), and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Dy(1), one Dy(2), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Dy(2), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1), one Dy(2), and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy2Nb2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.546
_cell_length_b   5.938
_cell_length_c   6.115
_cell_angle_alpha   109.527
_cell_angle_beta   105.365
_cell_angle_gamma   113.262
_symmetry_Int_Tables_number   1
_cell_volume   182.890
_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
  Li  Li0  1  0.986  0.280  0.303  1.0
  Dy  Dy1  1  0.547  0.349  0.219  1.0
  Dy  Dy2  1  0.454  0.666  0.794  1.0
  Nb  Nb3  1  0.886  0.164  0.749  1.0
  Nb  Nb4  1  0.114  0.821  0.233  1.0
  O  O5  1  0.719  0.151  0.978  1.0
  O  O6  1  0.236  0.314  0.897  1.0
  O  O7  1  0.800  0.271  0.505  1.0
  O  O8  1  0.710  0.758  0.594  1.0
  O  O9  1  0.266  0.233  0.398  1.0
  O  O10  1  0.764  0.689  0.104  1.0
  O  O11  1  0.205  0.694  0.457  1.0
  O  O12  1  0.303  0.866  0.038  1.0
[/CIF]
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The material structure described by LiDy2Nb2O8 is Baddeleyite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid,  a cornercorner with one Dy(2)O7 pentagonal bipyramid, corners with two equivalent Nb(1)O4 tetrahedra, corners with two equivalent Nb(2)O4 tetrahedra,  an edgeedge with one Dy(1)O7 pentagonal bipyramid, and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form DyO7 pentagonal bipyramids that share  a cornercorner with one Nb(2)O4 tetrahedra, corners with four equivalent Nb(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with three equivalent Dy(2)O7 pentagonal bipyramids,  an edgeedge with one Nb(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Dy site, Dy(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted DyO7 pentagonal bipyramids that share  a cornercorner with one Nb(1)O4 tetrahedra, corners with four equivalent Nb(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with three equivalent Dy(1)O7 pentagonal bipyramids,  an edgeedge with one Nb(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NbO4 tetrahedra that share  a cornercorner with one Dy(2)O7 pentagonal bipyramid, corners with four equivalent Dy(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. In the second Nb site, Nb(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form NbO4 tetrahedra that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid, corners with four equivalent Dy(2)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Dy(1)O7 pentagonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Dy(1), one Dy(2), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Dy(1), one Dy(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Dy(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1), one Dy(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Dy(1), one Dy(2), and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Dy(1), one Dy(2), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Dy(2), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Dy(1), one Dy(2), and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDy2Nb2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.546
_cell_length_b   5.938
_cell_length_c   6.115
_cell_angle_alpha   109.527
_cell_angle_beta   105.365
_cell_angle_gamma   113.262
_symmetry_Int_Tables_number   1
_cell_volume   182.890
_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
  Li  Li0  1  0.986  0.280  0.303  1.0
  Dy  Dy1  1  0.547  0.349  0.219  1.0
  Dy  Dy2  1  0.454  0.666  0.794  1.0
  Nb  Nb3  1  0.886  0.164  0.749  1.0
  Nb  Nb4  1  0.114  0.821  0.233  1.0
  O  O5  1  0.719  0.151  0.978  1.0
  O  O6  1  0.236  0.314  0.897  1.0
  O  O7  1  0.800  0.271  0.505  1.0
  O  O8  1  0.710  0.758  0.594  1.0
  O  O9  1  0.266  0.233  0.398  1.0
  O  O10  1  0.764  0.689  0.104  1.0
  O  O11  1  0.205  0.694  0.457  1.0
  O  O12  1  0.303  0.866  0.038  1.0
[/CIF]
.