The material described by Li2BSnPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one B(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SnBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   5.178
_cell_length_c   9.117
_cell_angle_alpha   87.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.858
_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  0.472  0.758  0.841  1.0
  Li  Li1  1  0.028  0.758  0.841  1.0
  Li  Li2  1  0.528  0.242  0.159  1.0
  Li  Li3  1  0.972  0.242  0.159  1.0
  Sn  Sn4  1  0.250  0.223  0.663  1.0
  Sn  Sn5  1  0.750  0.777  0.337  1.0
  B  B6  1  0.250  0.266  0.942  1.0
  B  B7  1  0.750  0.734  0.058  1.0
  P  P8  1  0.750  0.275  0.570  1.0
  P  P9  1  0.250  0.725  0.430  1.0
  O  O10  1  0.750  0.709  0.914  1.0
  O  O11  1  0.250  0.028  0.869  1.0
  O  O12  1  0.250  0.478  0.833  1.0
  O  O13  1  0.936  0.193  0.666  1.0
  O  O14  1  0.564  0.193  0.666  1.0
  O  O15  1  0.250  0.851  0.581  1.0
  O  O16  1  0.750  0.574  0.537  1.0
  O  O17  1  0.250  0.426  0.463  1.0
  O  O18  1  0.750  0.149  0.419  1.0
  O  O19  1  0.436  0.807  0.334  1.0
  O  O20  1  0.064  0.807  0.334  1.0
  O  O21  1  0.750  0.522  0.167  1.0
  O  O22  1  0.750  0.972  0.131  1.0
  O  O23  1  0.250  0.291  0.086  1.0
[/CIF]
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The material described by Li2BSnPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one B(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SnBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   5.178
_cell_length_c   9.117
_cell_angle_alpha   87.365
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.858
_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  0.472  0.758  0.841  1.0
  Li  Li1  1  0.028  0.758  0.841  1.0
  Li  Li2  1  0.528  0.242  0.159  1.0
  Li  Li3  1  0.972  0.242  0.159  1.0
  Sn  Sn4  1  0.250  0.223  0.663  1.0
  Sn  Sn5  1  0.750  0.777  0.337  1.0
  B  B6  1  0.250  0.266  0.942  1.0
  B  B7  1  0.750  0.734  0.058  1.0
  P  P8  1  0.750  0.275  0.570  1.0
  P  P9  1  0.250  0.725  0.430  1.0
  O  O10  1  0.750  0.709  0.914  1.0
  O  O11  1  0.250  0.028  0.869  1.0
  O  O12  1  0.250  0.478  0.833  1.0
  O  O13  1  0.936  0.193  0.666  1.0
  O  O14  1  0.564  0.193  0.666  1.0
  O  O15  1  0.250  0.851  0.581  1.0
  O  O16  1  0.750  0.574  0.537  1.0
  O  O17  1  0.250  0.426  0.463  1.0
  O  O18  1  0.750  0.149  0.419  1.0
  O  O19  1  0.436  0.807  0.334  1.0
  O  O20  1  0.064  0.807  0.334  1.0
  O  O21  1  0.750  0.522  0.167  1.0
  O  O22  1  0.750  0.972  0.131  1.0
  O  O23  1  0.250  0.291  0.086  1.0
[/CIF]
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