The material described by Li5Bi(P2O7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a T-shaped geometry to one O(1), one O(14), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(2), one O(3), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(5), one O(8), and two equivalent O(13) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(6), and two equivalent O(14) atoms. Bi(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O7 pentagonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(3), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(4), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Bi(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(5), one Bi(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded to one Li(3), two equivalent Li(4), and one P(3) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), two equivalent Li(5), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Bi(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   8.728
_cell_length_c   9.902
_cell_angle_alpha   76.991
_cell_angle_beta   76.747
_cell_angle_gamma   69.029
_symmetry_Int_Tables_number   1
_cell_volume   561.936
_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  0.336  0.189  0.278  1.0
  Li  Li1  1  0.283  0.262  0.584  1.0
  Li  Li2  1  0.758  0.268  0.090  1.0
  Li  Li3  1  0.035  0.486  0.139  1.0
  Li  Li4  1  0.441  0.488  0.357  1.0
  Li  Li5  1  0.559  0.512  0.643  1.0
  Li  Li6  1  0.965  0.514  0.861  1.0
  Li  Li7  1  0.242  0.732  0.910  1.0
  Li  Li8  1  0.717  0.738  0.416  1.0
  Li  Li9  1  0.664  0.811  0.722  1.0
  Bi  Bi10  1  0.872  0.128  0.763  1.0
  Bi  Bi11  1  0.128  0.872  0.237  1.0
  P  P12  1  0.166  0.141  0.966  1.0
  P  P13  1  0.693  0.102  0.455  1.0
  P  P14  1  0.412  0.343  0.948  1.0
  P  P15  1  0.880  0.365  0.426  1.0
  P  P16  1  0.120  0.635  0.574  1.0
  P  P17  1  0.588  0.657  0.052  1.0
  P  P18  1  0.307  0.898  0.545  1.0
  P  P19  1  0.834  0.859  0.034  1.0
  O  O20  1  0.217  0.049  0.622  1.0
  O  O21  1  0.081  0.183  0.115  1.0
  O  O22  1  0.789  0.042  0.039  1.0
  O  O23  1  0.681  0.056  0.616  1.0
  O  O24  1  0.027  0.259  0.859  1.0
  O  O25  1  0.495  0.225  0.412  1.0
  O  O26  1  0.374  0.181  0.915  1.0
  O  O27  1  0.077  0.371  0.336  1.0
  O  O28  1  0.460  0.305  0.096  1.0
  O  O29  1  0.858  0.197  0.396  1.0
  O  O30  1  0.592  0.354  0.830  1.0
  O  O31  1  0.876  0.341  0.587  1.0
  O  O32  1  0.221  0.492  0.931  1.0
  O  O33  1  0.305  0.486  0.607  1.0
  O  O34  1  0.695  0.514  0.393  1.0
  O  O35  1  0.779  0.508  0.069  1.0
  O  O36  1  0.124  0.659  0.413  1.0
  O  O37  1  0.408  0.646  0.170  1.0
  O  O38  1  0.142  0.803  0.604  1.0
  O  O39  1  0.540  0.695  0.904  1.0
  O  O40  1  0.923  0.629  0.664  1.0
  O  O41  1  0.626  0.819  0.085  1.0
  O  O42  1  0.505  0.775  0.588  1.0
  O  O43  1  0.973  0.741  0.141  1.0
  O  O44  1  0.319  0.944  0.384  1.0
  O  O45  1  0.211  0.958  0.961  1.0
  O  O46  1  0.919  0.817  0.885  1.0
  O  O47  1  0.783  0.951  0.378  1.0
[/CIF]
.
The material described by Li5Bi(P2O7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a T-shaped geometry to one O(1), one O(14), and one O(6) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(2), one O(3), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(5), one O(8), and two equivalent O(13) atoms. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(6), and two equivalent O(14) atoms. Bi(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), and one O(5) atom to form distorted BiO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Bi(1)O7 pentagonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O7 pentagonal bipyramids,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the third P site, P(3) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Bi(1), and one P(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(3), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(4), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(5), and one P(2) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(5), one Bi(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(5), one Bi(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded to one Li(3), two equivalent Li(4), and one P(3) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), two equivalent Li(5), and one P(4) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Bi(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   8.728
_cell_length_c   9.902
_cell_angle_alpha   76.991
_cell_angle_beta   76.747
_cell_angle_gamma   69.029
_symmetry_Int_Tables_number   1
_cell_volume   561.936
_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  0.336  0.189  0.278  1.0
  Li  Li1  1  0.283  0.262  0.584  1.0
  Li  Li2  1  0.758  0.268  0.090  1.0
  Li  Li3  1  0.035  0.486  0.139  1.0
  Li  Li4  1  0.441  0.488  0.357  1.0
  Li  Li5  1  0.559  0.512  0.643  1.0
  Li  Li6  1  0.965  0.514  0.861  1.0
  Li  Li7  1  0.242  0.732  0.910  1.0
  Li  Li8  1  0.717  0.738  0.416  1.0
  Li  Li9  1  0.664  0.811  0.722  1.0
  Bi  Bi10  1  0.872  0.128  0.763  1.0
  Bi  Bi11  1  0.128  0.872  0.237  1.0
  P  P12  1  0.166  0.141  0.966  1.0
  P  P13  1  0.693  0.102  0.455  1.0
  P  P14  1  0.412  0.343  0.948  1.0
  P  P15  1  0.880  0.365  0.426  1.0
  P  P16  1  0.120  0.635  0.574  1.0
  P  P17  1  0.588  0.657  0.052  1.0
  P  P18  1  0.307  0.898  0.545  1.0
  P  P19  1  0.834  0.859  0.034  1.0
  O  O20  1  0.217  0.049  0.622  1.0
  O  O21  1  0.081  0.183  0.115  1.0
  O  O22  1  0.789  0.042  0.039  1.0
  O  O23  1  0.681  0.056  0.616  1.0
  O  O24  1  0.027  0.259  0.859  1.0
  O  O25  1  0.495  0.225  0.412  1.0
  O  O26  1  0.374  0.181  0.915  1.0
  O  O27  1  0.077  0.371  0.336  1.0
  O  O28  1  0.460  0.305  0.096  1.0
  O  O29  1  0.858  0.197  0.396  1.0
  O  O30  1  0.592  0.354  0.830  1.0
  O  O31  1  0.876  0.341  0.587  1.0
  O  O32  1  0.221  0.492  0.931  1.0
  O  O33  1  0.305  0.486  0.607  1.0
  O  O34  1  0.695  0.514  0.393  1.0
  O  O35  1  0.779  0.508  0.069  1.0
  O  O36  1  0.124  0.659  0.413  1.0
  O  O37  1  0.408  0.646  0.170  1.0
  O  O38  1  0.142  0.803  0.604  1.0
  O  O39  1  0.540  0.695  0.904  1.0
  O  O40  1  0.923  0.629  0.664  1.0
  O  O41  1  0.626  0.819  0.085  1.0
  O  O42  1  0.505  0.775  0.588  1.0
  O  O43  1  0.973  0.741  0.141  1.0
  O  O44  1  0.319  0.944  0.384  1.0
  O  O45  1  0.211  0.958  0.961  1.0
  O  O46  1  0.919  0.817  0.885  1.0
  O  O47  1  0.783  0.951  0.378  1.0
[/CIF]
.