The structure described by LiBa2V2(Si2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(7), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(8), and two equivalent O(10) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(4), and one O(7) atom. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(3)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(13), one O(3), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. In the fourth Si site, Si(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one V(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Si(3) and one Si(4) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Li(1), one Ba(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Li(1), one Ba(2), and one V(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent Ba(1), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to two equivalent Ba(2), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiV2(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   7.265
_cell_length_c   8.182
_cell_angle_alpha   89.163
_cell_angle_beta   109.265
_cell_angle_gamma   89.192
_symmetry_Int_Tables_number   1
_cell_volume   308.830
_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
  Ba  Ba0  1  0.812  0.743  0.596  1.0
  Ba  Ba1  1  0.223  0.237  0.408  1.0
  Li  Li2  1  0.136  0.484  0.995  1.0
  V  V3  1  0.133  0.749  0.228  1.0
  V  V4  1  0.895  0.225  0.798  1.0
  Si  Si5  1  0.418  0.518  0.798  1.0
  Si  Si6  1  0.637  0.470  0.219  1.0
  Si  Si7  1  0.405  0.966  0.794  1.0
  Si  Si8  1  0.623  0.020  0.208  1.0
  O  O9  1  0.127  0.444  0.742  1.0
  O  O10  1  0.420  0.554  0.297  1.0
  O  O11  1  0.114  0.047  0.708  1.0
  O  O12  1  0.422  0.931  0.297  1.0
  O  O13  1  0.525  0.505  0.011  1.0
  O  O14  1  0.519  0.991  0.002  1.0
  O  O15  1  0.028  0.737  0.015  1.0
  O  O16  1  0.026  0.255  0.030  1.0
  O  O17  1  0.390  0.742  0.744  1.0
  O  O18  1  0.654  0.243  0.266  1.0
  O  O19  1  0.609  0.428  0.708  1.0
  O  O20  1  0.921  0.556  0.307  1.0
  O  O21  1  0.601  0.045  0.701  1.0
  O  O22  1  0.914  0.931  0.299  1.0
[/CIF]
.
The structure described by LiBa2V2(Si2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(7), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(4), one O(8), and two equivalent O(10) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(4), and one O(7) atom. In the second V site, V(2) is bonded to one O(1), one O(11), one O(13), one O(3), and one O(8) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(3)O4 tetrahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(13), one O(3), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent V(2)O5 trigonal bipyramids. In the fourth Si site, Si(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one V(1), and one Si(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(4) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Si(3) and one Si(4) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Li(1), one Ba(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Li(1), one Ba(2), and one V(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent Ba(1), one Si(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to two equivalent Ba(2), one Si(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one V(2), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one V(1), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiV2(Si2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   7.265
_cell_length_c   8.182
_cell_angle_alpha   89.163
_cell_angle_beta   109.265
_cell_angle_gamma   89.192
_symmetry_Int_Tables_number   1
_cell_volume   308.830
_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
  Ba  Ba0  1  0.812  0.743  0.596  1.0
  Ba  Ba1  1  0.223  0.237  0.408  1.0
  Li  Li2  1  0.136  0.484  0.995  1.0
  V  V3  1  0.133  0.749  0.228  1.0
  V  V4  1  0.895  0.225  0.798  1.0
  Si  Si5  1  0.418  0.518  0.798  1.0
  Si  Si6  1  0.637  0.470  0.219  1.0
  Si  Si7  1  0.405  0.966  0.794  1.0
  Si  Si8  1  0.623  0.020  0.208  1.0
  O  O9  1  0.127  0.444  0.742  1.0
  O  O10  1  0.420  0.554  0.297  1.0
  O  O11  1  0.114  0.047  0.708  1.0
  O  O12  1  0.422  0.931  0.297  1.0
  O  O13  1  0.525  0.505  0.011  1.0
  O  O14  1  0.519  0.991  0.002  1.0
  O  O15  1  0.028  0.737  0.015  1.0
  O  O16  1  0.026  0.255  0.030  1.0
  O  O17  1  0.390  0.742  0.744  1.0
  O  O18  1  0.654  0.243  0.266  1.0
  O  O19  1  0.609  0.428  0.708  1.0
  O  O20  1  0.921  0.556  0.307  1.0
  O  O21  1  0.601  0.045  0.701  1.0
  O  O22  1  0.914  0.931  0.299  1.0
[/CIF]
.