The compound described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   8.909
_cell_length_c   14.112
_cell_angle_alpha   59.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.840
_cell_formula_units_Z   4
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  0.218  0.246  0.989  1.0
  Li  Li1  1  0.718  0.754  0.511  1.0
  Li  Li2  1  0.282  0.246  0.489  1.0
  Li  Li3  1  0.782  0.754  0.011  1.0
  Bi  Bi4  1  0.302  0.481  0.666  1.0
  Bi  Bi5  1  0.802  0.519  0.834  1.0
  Bi  Bi6  1  0.198  0.481  0.166  1.0
  Bi  Bi7  1  0.698  0.519  0.334  1.0
  P  P8  1  0.748  0.173  0.843  1.0
  P  P9  1  0.201  0.672  0.390  1.0
  P  P10  1  0.248  0.827  0.657  1.0
  P  P11  1  0.299  0.672  0.890  1.0
  P  P12  1  0.701  0.328  0.110  1.0
  P  P13  1  0.752  0.173  0.343  1.0
  P  P14  1  0.799  0.328  0.610  1.0
  P  P15  1  0.252  0.827  0.157  1.0
  O  O16  1  0.978  0.283  0.831  1.0
  O  O17  1  0.540  0.295  0.840  1.0
  O  O18  1  0.709  0.489  0.614  1.0
  O  O19  1  0.931  0.674  0.402  1.0
  O  O20  1  0.278  0.834  0.271  1.0
  O  O21  1  0.336  0.695  0.477  1.0
  O  O22  1  0.255  0.008  0.066  1.0
  O  O23  1  0.209  0.511  0.886  1.0
  O  O24  1  0.040  0.705  0.660  1.0
  O  O25  1  0.478  0.717  0.669  1.0
  O  O26  1  0.755  0.992  0.434  1.0
  O  O27  1  0.569  0.674  0.902  1.0
  O  O28  1  0.836  0.305  0.023  1.0
  O  O29  1  0.778  0.166  0.229  1.0
  O  O30  1  0.222  0.834  0.771  1.0
  O  O31  1  0.164  0.695  0.977  1.0
  O  O32  1  0.431  0.326  0.098  1.0
  O  O33  1  0.245  0.008  0.566  1.0
  O  O34  1  0.522  0.283  0.331  1.0
  O  O35  1  0.960  0.295  0.340  1.0
  O  O36  1  0.791  0.489  0.114  1.0
  O  O37  1  0.745  0.992  0.934  1.0
  O  O38  1  0.664  0.305  0.523  1.0
  O  O39  1  0.722  0.166  0.729  1.0
  O  O40  1  0.069  0.326  0.598  1.0
  O  O41  1  0.291  0.511  0.386  1.0
  O  O42  1  0.460  0.705  0.160  1.0
  O  O43  1  0.022  0.717  0.169  1.0
[/CIF]
.
The compound described by LiBiP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   8.909
_cell_length_c   14.112
_cell_angle_alpha   59.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.840
_cell_formula_units_Z   4
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  0.218  0.246  0.989  1.0
  Li  Li1  1  0.718  0.754  0.511  1.0
  Li  Li2  1  0.282  0.246  0.489  1.0
  Li  Li3  1  0.782  0.754  0.011  1.0
  Bi  Bi4  1  0.302  0.481  0.666  1.0
  Bi  Bi5  1  0.802  0.519  0.834  1.0
  Bi  Bi6  1  0.198  0.481  0.166  1.0
  Bi  Bi7  1  0.698  0.519  0.334  1.0
  P  P8  1  0.748  0.173  0.843  1.0
  P  P9  1  0.201  0.672  0.390  1.0
  P  P10  1  0.248  0.827  0.657  1.0
  P  P11  1  0.299  0.672  0.890  1.0
  P  P12  1  0.701  0.328  0.110  1.0
  P  P13  1  0.752  0.173  0.343  1.0
  P  P14  1  0.799  0.328  0.610  1.0
  P  P15  1  0.252  0.827  0.157  1.0
  O  O16  1  0.978  0.283  0.831  1.0
  O  O17  1  0.540  0.295  0.840  1.0
  O  O18  1  0.709  0.489  0.614  1.0
  O  O19  1  0.931  0.674  0.402  1.0
  O  O20  1  0.278  0.834  0.271  1.0
  O  O21  1  0.336  0.695  0.477  1.0
  O  O22  1  0.255  0.008  0.066  1.0
  O  O23  1  0.209  0.511  0.886  1.0
  O  O24  1  0.040  0.705  0.660  1.0
  O  O25  1  0.478  0.717  0.669  1.0
  O  O26  1  0.755  0.992  0.434  1.0
  O  O27  1  0.569  0.674  0.902  1.0
  O  O28  1  0.836  0.305  0.023  1.0
  O  O29  1  0.778  0.166  0.229  1.0
  O  O30  1  0.222  0.834  0.771  1.0
  O  O31  1  0.164  0.695  0.977  1.0
  O  O32  1  0.431  0.326  0.098  1.0
  O  O33  1  0.245  0.008  0.566  1.0
  O  O34  1  0.522  0.283  0.331  1.0
  O  O35  1  0.960  0.295  0.340  1.0
  O  O36  1  0.791  0.489  0.114  1.0
  O  O37  1  0.745  0.992  0.934  1.0
  O  O38  1  0.664  0.305  0.523  1.0
  O  O39  1  0.722  0.166  0.729  1.0
  O  O40  1  0.069  0.326  0.598  1.0
  O  O41  1  0.291  0.511  0.386  1.0
  O  O42  1  0.460  0.705  0.160  1.0
  O  O43  1  0.022  0.717  0.169  1.0
[/CIF]
.