The crystal structure described by Li2BCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. B(1) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one B(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.409
_cell_length_c   9.428
_cell_angle_alpha   78.086
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.459
_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  0.502  0.689  0.205  1.0
  Li  Li1  1  0.998  0.689  0.205  1.0
  Li  Li2  1  0.498  0.311  0.795  1.0
  Li  Li3  1  0.002  0.311  0.795  1.0
  B  B4  1  0.750  0.062  0.334  1.0
  B  B5  1  0.250  0.938  0.666  1.0
  P  P6  1  0.250  0.292  0.420  1.0
  P  P7  1  0.750  0.708  0.580  1.0
  C  C8  1  0.750  0.269  0.076  1.0
  C  C9  1  0.250  0.731  0.924  1.0
  O  O10  1  0.250  0.762  0.053  1.0
  O  O11  1  0.750  0.045  0.179  1.0
  O  O12  1  0.750  0.476  0.117  1.0
  O  O13  1  0.998  0.183  0.364  1.0
  O  O14  1  0.502  0.183  0.364  1.0
  O  O15  1  0.750  0.792  0.410  1.0
  O  O16  1  0.250  0.575  0.367  1.0
  O  O17  1  0.750  0.425  0.633  1.0
  O  O18  1  0.250  0.208  0.590  1.0
  O  O19  1  0.498  0.817  0.636  1.0
  O  O20  1  0.002  0.817  0.636  1.0
  O  O21  1  0.250  0.524  0.883  1.0
  O  O22  1  0.250  0.955  0.821  1.0
  O  O23  1  0.750  0.238  0.947  1.0
[/CIF]
.
The crystal structure described by Li2BCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. B(1) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1), one B(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.409
_cell_length_c   9.428
_cell_angle_alpha   78.086
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.459
_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  0.502  0.689  0.205  1.0
  Li  Li1  1  0.998  0.689  0.205  1.0
  Li  Li2  1  0.498  0.311  0.795  1.0
  Li  Li3  1  0.002  0.311  0.795  1.0
  B  B4  1  0.750  0.062  0.334  1.0
  B  B5  1  0.250  0.938  0.666  1.0
  P  P6  1  0.250  0.292  0.420  1.0
  P  P7  1  0.750  0.708  0.580  1.0
  C  C8  1  0.750  0.269  0.076  1.0
  C  C9  1  0.250  0.731  0.924  1.0
  O  O10  1  0.250  0.762  0.053  1.0
  O  O11  1  0.750  0.045  0.179  1.0
  O  O12  1  0.750  0.476  0.117  1.0
  O  O13  1  0.998  0.183  0.364  1.0
  O  O14  1  0.502  0.183  0.364  1.0
  O  O15  1  0.750  0.792  0.410  1.0
  O  O16  1  0.250  0.575  0.367  1.0
  O  O17  1  0.750  0.425  0.633  1.0
  O  O18  1  0.250  0.208  0.590  1.0
  O  O19  1  0.498  0.817  0.636  1.0
  O  O20  1  0.002  0.817  0.636  1.0
  O  O21  1  0.250  0.524  0.883  1.0
  O  O22  1  0.250  0.955  0.821  1.0
  O  O23  1  0.750  0.238  0.947  1.0
[/CIF]
.