The crystal structure described by LiBiP2O7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.806
_cell_length_b   4.976
_cell_length_c   7.020
_cell_angle_alpha   77.550
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.346
_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  0.483  0.399  0.787  1.0
  Li  Li1  1  0.983  0.601  0.213  1.0
  Bi  Bi2  1  0.876  0.573  0.751  1.0
  Bi  Bi3  1  0.376  0.427  0.249  1.0
  P  P4  1  0.186  0.862  0.490  1.0
  P  P5  1  0.784  0.128  0.092  1.0
  P  P6  1  0.284  0.872  0.908  1.0
  P  P7  1  0.686  0.138  0.510  1.0
  O  O8  1  0.302  0.175  0.899  1.0
  O  O9  1  0.688  0.289  0.916  1.0
  O  O10  1  0.038  0.721  0.456  1.0
  O  O11  1  0.335  0.725  0.441  1.0
  O  O12  1  0.688  0.827  0.600  1.0
  O  O13  1  0.433  0.709  0.912  1.0
  O  O14  1  0.180  0.826  0.725  1.0
  O  O15  1  0.680  0.174  0.275  1.0
  O  O16  1  0.933  0.291  0.088  1.0
  O  O17  1  0.188  0.173  0.400  1.0
  O  O18  1  0.835  0.275  0.559  1.0
  O  O19  1  0.538  0.279  0.544  1.0
  O  O20  1  0.188  0.711  0.084  1.0
  O  O21  1  0.802  0.825  0.101  1.0
[/CIF]
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The crystal structure described by LiBiP2O7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.806
_cell_length_b   4.976
_cell_length_c   7.020
_cell_angle_alpha   77.550
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   300.346
_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  0.483  0.399  0.787  1.0
  Li  Li1  1  0.983  0.601  0.213  1.0
  Bi  Bi2  1  0.876  0.573  0.751  1.0
  Bi  Bi3  1  0.376  0.427  0.249  1.0
  P  P4  1  0.186  0.862  0.490  1.0
  P  P5  1  0.784  0.128  0.092  1.0
  P  P6  1  0.284  0.872  0.908  1.0
  P  P7  1  0.686  0.138  0.510  1.0
  O  O8  1  0.302  0.175  0.899  1.0
  O  O9  1  0.688  0.289  0.916  1.0
  O  O10  1  0.038  0.721  0.456  1.0
  O  O11  1  0.335  0.725  0.441  1.0
  O  O12  1  0.688  0.827  0.600  1.0
  O  O13  1  0.433  0.709  0.912  1.0
  O  O14  1  0.180  0.826  0.725  1.0
  O  O15  1  0.680  0.174  0.275  1.0
  O  O16  1  0.933  0.291  0.088  1.0
  O  O17  1  0.188  0.173  0.400  1.0
  O  O18  1  0.835  0.275  0.559  1.0
  O  O19  1  0.538  0.279  0.544  1.0
  O  O20  1  0.188  0.711  0.084  1.0
  O  O21  1  0.802  0.825  0.101  1.0
[/CIF]
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