The structure described by LiMo2P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-46°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-43°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. is represented by the CIF card [CIF]
data_LiMo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.467
_cell_length_b   7.618
_cell_length_c   11.361
_cell_angle_alpha   76.310
_cell_angle_beta   86.518
_cell_angle_gamma   80.048
_symmetry_Int_Tables_number   1
_cell_volume   535.490
_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  0.196  0.569  0.815  1.0
  Li  Li1  1  0.804  0.431  0.185  1.0
  Mo  Mo2  1  0.216  0.199  0.093  1.0
  Mo  Mo3  1  0.239  0.199  0.596  1.0
  Mo  Mo4  1  0.761  0.801  0.404  1.0
  Mo  Mo5  1  0.784  0.801  0.907  1.0
  P  P6  1  0.878  0.531  0.687  1.0
  P  P7  1  0.739  0.206  0.667  1.0
  P  P8  1  0.734  0.067  0.114  1.0
  P  P9  1  0.266  0.933  0.886  1.0
  P  P10  1  0.122  0.469  0.313  1.0
  P  P11  1  0.261  0.794  0.333  1.0
  O  O12  1  0.866  0.630  0.791  1.0
  O  O13  1  0.921  0.219  0.574  1.0
  O  O14  1  0.890  0.540  0.334  1.0
  O  O15  1  0.775  0.896  0.218  1.0
  O  O16  1  0.134  0.370  0.209  1.0
  O  O17  1  0.079  0.781  0.426  1.0
  O  O18  1  0.110  0.460  0.666  1.0
  O  O19  1  0.225  0.104  0.782  1.0
  O  O20  1  0.104  0.802  0.888  1.0
  O  O21  1  0.242  0.354  0.424  1.0
  O  O22  1  0.245  0.639  0.258  1.0
  O  O23  1  0.215  0.367  0.962  1.0
  O  O24  1  0.257  0.992  0.007  1.0
  O  O25  1  0.241  0.978  0.245  1.0
  O  O26  1  0.304  0.986  0.572  1.0
  O  O27  1  0.521  0.191  0.128  1.0
  O  O28  1  0.526  0.266  0.606  1.0
  O  O29  1  0.474  0.734  0.394  1.0
  O  O30  1  0.479  0.809  0.872  1.0
  O  O31  1  0.696  0.014  0.428  1.0
  O  O32  1  0.759  0.022  0.755  1.0
  O  O33  1  0.743  0.008  0.993  1.0
  O  O34  1  0.785  0.633  0.038  1.0
  O  O35  1  0.755  0.361  0.742  1.0
  O  O36  1  0.758  0.646  0.576  1.0
  O  O37  1  0.896  0.198  0.112  1.0
[/CIF]
.
The structure described by LiMo2P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-46°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-49°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-43°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Li(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. is represented by the CIF card [CIF]
data_LiMo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.467
_cell_length_b   7.618
_cell_length_c   11.361
_cell_angle_alpha   76.310
_cell_angle_beta   86.518
_cell_angle_gamma   80.048
_symmetry_Int_Tables_number   1
_cell_volume   535.490
_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  0.196  0.569  0.815  1.0
  Li  Li1  1  0.804  0.431  0.185  1.0
  Mo  Mo2  1  0.216  0.199  0.093  1.0
  Mo  Mo3  1  0.239  0.199  0.596  1.0
  Mo  Mo4  1  0.761  0.801  0.404  1.0
  Mo  Mo5  1  0.784  0.801  0.907  1.0
  P  P6  1  0.878  0.531  0.687  1.0
  P  P7  1  0.739  0.206  0.667  1.0
  P  P8  1  0.734  0.067  0.114  1.0
  P  P9  1  0.266  0.933  0.886  1.0
  P  P10  1  0.122  0.469  0.313  1.0
  P  P11  1  0.261  0.794  0.333  1.0
  O  O12  1  0.866  0.630  0.791  1.0
  O  O13  1  0.921  0.219  0.574  1.0
  O  O14  1  0.890  0.540  0.334  1.0
  O  O15  1  0.775  0.896  0.218  1.0
  O  O16  1  0.134  0.370  0.209  1.0
  O  O17  1  0.079  0.781  0.426  1.0
  O  O18  1  0.110  0.460  0.666  1.0
  O  O19  1  0.225  0.104  0.782  1.0
  O  O20  1  0.104  0.802  0.888  1.0
  O  O21  1  0.242  0.354  0.424  1.0
  O  O22  1  0.245  0.639  0.258  1.0
  O  O23  1  0.215  0.367  0.962  1.0
  O  O24  1  0.257  0.992  0.007  1.0
  O  O25  1  0.241  0.978  0.245  1.0
  O  O26  1  0.304  0.986  0.572  1.0
  O  O27  1  0.521  0.191  0.128  1.0
  O  O28  1  0.526  0.266  0.606  1.0
  O  O29  1  0.474  0.734  0.394  1.0
  O  O30  1  0.479  0.809  0.872  1.0
  O  O31  1  0.696  0.014  0.428  1.0
  O  O32  1  0.759  0.022  0.755  1.0
  O  O33  1  0.743  0.008  0.993  1.0
  O  O34  1  0.785  0.633  0.038  1.0
  O  O35  1  0.755  0.361  0.742  1.0
  O  O36  1  0.758  0.646  0.576  1.0
  O  O37  1  0.896  0.198  0.112  1.0
[/CIF]
.