The structure described by LiMo2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent 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 52-56°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth P site, P(4) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mo(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent P(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_LiMo2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   7.437
_cell_length_c   8.986
_cell_angle_alpha   69.396
_cell_angle_beta   69.396
_cell_angle_gamma   74.105
_symmetry_Int_Tables_number   1
_cell_volume   429.063
_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  0.991  0.513  0.264  1.0
  Li  Li1  1  0.487  0.009  0.736  1.0
  Mo  Mo2  1  0.361  0.882  0.202  1.0
  Mo  Mo3  1  0.881  0.363  0.703  1.0
  Mo  Mo4  1  0.118  0.639  0.798  1.0
  Mo  Mo5  1  0.637  0.119  0.297  1.0
  P  P6  1  0.321  0.451  0.468  1.0
  P  P7  1  0.955  0.045  0.500  1.0
  P  P8  1  0.451  0.323  0.966  1.0
  P  P9  1  0.549  0.679  0.532  1.0
  P  P10  1  0.677  0.549  0.034  1.0
  P  P11  1  0.044  0.956  0.000  1.0
  O  O12  1  0.110  0.014  0.342  1.0
  O  O13  1  0.014  0.112  0.842  1.0
  O  O14  1  0.382  0.241  0.463  1.0
  O  O15  1  0.150  0.472  0.625  1.0
  O  O16  1  0.888  0.986  0.158  1.0
  O  O17  1  0.986  0.890  0.658  1.0
  O  O18  1  0.618  0.757  0.043  1.0
  O  O19  1  0.849  0.529  0.877  1.0
  O  O20  1  0.722  0.399  0.190  1.0
  O  O21  1  0.256  0.956  1.000  1.0
  O  O22  1  0.759  0.618  0.537  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.528  0.850  0.375  1.0
  O  O25  1  0.402  0.726  0.689  1.0
  O  O26  1  0.955  0.257  0.500  1.0
  O  O27  1  0.044  0.744  0.000  1.0
  O  O28  1  0.601  0.278  0.810  1.0
  O  O29  1  0.471  0.151  0.123  1.0
  O  O30  1  0.499  0.501  0.500  1.0
  O  O31  1  0.243  0.382  0.957  1.0
  O  O32  1  0.743  0.045  0.500  1.0
  O  O33  1  0.274  0.598  0.311  1.0
[/CIF]
.
The structure described by LiMo2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(11), and one O(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent 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 52-56°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth P site, P(4) is bonded to two equivalent O(2) and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mo(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to two equivalent P(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_LiMo2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   7.437
_cell_length_c   8.986
_cell_angle_alpha   69.396
_cell_angle_beta   69.396
_cell_angle_gamma   74.105
_symmetry_Int_Tables_number   1
_cell_volume   429.063
_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  0.991  0.513  0.264  1.0
  Li  Li1  1  0.487  0.009  0.736  1.0
  Mo  Mo2  1  0.361  0.882  0.202  1.0
  Mo  Mo3  1  0.881  0.363  0.703  1.0
  Mo  Mo4  1  0.118  0.639  0.798  1.0
  Mo  Mo5  1  0.637  0.119  0.297  1.0
  P  P6  1  0.321  0.451  0.468  1.0
  P  P7  1  0.955  0.045  0.500  1.0
  P  P8  1  0.451  0.323  0.966  1.0
  P  P9  1  0.549  0.679  0.532  1.0
  P  P10  1  0.677  0.549  0.034  1.0
  P  P11  1  0.044  0.956  0.000  1.0
  O  O12  1  0.110  0.014  0.342  1.0
  O  O13  1  0.014  0.112  0.842  1.0
  O  O14  1  0.382  0.241  0.463  1.0
  O  O15  1  0.150  0.472  0.625  1.0
  O  O16  1  0.888  0.986  0.158  1.0
  O  O17  1  0.986  0.890  0.658  1.0
  O  O18  1  0.618  0.757  0.043  1.0
  O  O19  1  0.849  0.529  0.877  1.0
  O  O20  1  0.722  0.399  0.190  1.0
  O  O21  1  0.256  0.956  1.000  1.0
  O  O22  1  0.759  0.618  0.537  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.528  0.850  0.375  1.0
  O  O25  1  0.402  0.726  0.689  1.0
  O  O26  1  0.955  0.257  0.500  1.0
  O  O27  1  0.044  0.744  0.000  1.0
  O  O28  1  0.601  0.278  0.810  1.0
  O  O29  1  0.471  0.151  0.123  1.0
  O  O30  1  0.499  0.501  0.500  1.0
  O  O31  1  0.243  0.382  0.957  1.0
  O  O32  1  0.743  0.045  0.500  1.0
  O  O33  1  0.274  0.598  0.311  1.0
[/CIF]
.