The material structure described by LiSb3(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(6), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted SbO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(3)O5 square pyramid. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sb(3)O5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sb(2), one Sb(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Sb(1), one Sb(2), and one Sb(3) atom to form edge-sharing OLiSb3 tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Sb(1), one Sb(2), and one Sb(3) atom to form distorted edge-sharing OLiSb3 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sb(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Sb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiSb3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   6.707
_cell_length_c   6.995
_cell_angle_alpha   112.073
_cell_angle_beta   109.829
_cell_angle_gamma   85.420
_symmetry_Int_Tables_number   1
_cell_volume   216.311
_cell_formula_units_Z   1
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  0.889  0.487  0.998  1.0
  Sb  Sb1  1  0.560  0.415  0.337  1.0
  Sb  Sb2  1  0.015  0.013  0.035  1.0
  Sb  Sb3  1  0.384  0.165  0.766  1.0
  P  P4  1  0.650  0.930  0.381  1.0
  P  P5  1  0.289  0.620  0.709  1.0
  O  O6  1  0.722  0.999  0.635  1.0
  O  O7  1  0.360  0.868  0.843  1.0
  O  O8  1  0.587  0.684  0.257  1.0
  O  O9  1  0.244  0.575  0.461  1.0
  O  O10  1  0.044  0.553  0.742  1.0
  O  O11  1  0.221  0.285  0.052  1.0
  O  O12  1  0.719  0.250  0.041  1.0
  O  O13  1  0.536  0.489  0.787  1.0
  O  O14  1  0.876  0.004  0.327  1.0
  O  O15  1  0.387  0.054  0.316  1.0
[/CIF]
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The material structure described by LiSb3(PO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(6), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted SbO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(3)O5 square pyramid. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sb(3)O5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sb(2), one Sb(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Sb(1), one Sb(2), and one Sb(3) atom to form edge-sharing OLiSb3 tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Sb(1), one Sb(2), and one Sb(3) atom to form distorted edge-sharing OLiSb3 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sb(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Sb(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiSb3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   6.707
_cell_length_c   6.995
_cell_angle_alpha   112.073
_cell_angle_beta   109.829
_cell_angle_gamma   85.420
_symmetry_Int_Tables_number   1
_cell_volume   216.311
_cell_formula_units_Z   1
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  0.889  0.487  0.998  1.0
  Sb  Sb1  1  0.560  0.415  0.337  1.0
  Sb  Sb2  1  0.015  0.013  0.035  1.0
  Sb  Sb3  1  0.384  0.165  0.766  1.0
  P  P4  1  0.650  0.930  0.381  1.0
  P  P5  1  0.289  0.620  0.709  1.0
  O  O6  1  0.722  0.999  0.635  1.0
  O  O7  1  0.360  0.868  0.843  1.0
  O  O8  1  0.587  0.684  0.257  1.0
  O  O9  1  0.244  0.575  0.461  1.0
  O  O10  1  0.044  0.553  0.742  1.0
  O  O11  1  0.221  0.285  0.052  1.0
  O  O12  1  0.719  0.250  0.041  1.0
  O  O13  1  0.536  0.489  0.787  1.0
  O  O14  1  0.876  0.004  0.327  1.0
  O  O15  1  0.387  0.054  0.316  1.0
[/CIF]
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