The material structure described by LiMo4(P2O11)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra, and corners with three equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMo4(P2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   7.574
_cell_length_c   9.096
_cell_angle_alpha   105.729
_cell_angle_beta   90.249
_cell_angle_gamma   90.545
_symmetry_Int_Tables_number   1
_cell_volume   429.266
_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  0.000  0.500  0.000  1.0
  Mo  Mo1  1  0.745  0.831  0.147  1.0
  Mo  Mo2  1  0.753  0.609  0.703  1.0
  Mo  Mo3  1  0.247  0.391  0.297  1.0
  Mo  Mo4  1  0.255  0.169  0.853  1.0
  P  P5  1  0.247  0.924  0.117  1.0
  P  P6  1  0.751  0.490  0.325  1.0
  P  P7  1  0.249  0.510  0.675  1.0
  P  P8  1  0.753  0.076  0.883  1.0
  O  O9  1  0.759  0.967  0.328  1.0
  O  O10  1  0.441  0.803  0.117  1.0
  O  O11  1  0.060  0.792  0.110  1.0
  O  O12  1  0.757  0.908  0.749  1.0
  O  O13  1  0.250  0.974  0.960  1.0
  O  O14  1  0.766  0.582  0.190  1.0
  O  O15  1  0.244  0.624  0.362  1.0
  O  O16  1  0.747  0.637  0.479  1.0
  O  O17  1  0.063  0.640  0.690  1.0
  O  O18  1  0.445  0.634  0.700  1.0
  O  O19  1  0.233  0.361  0.092  1.0
  O  O20  1  0.767  0.639  0.908  1.0
  O  O21  1  0.555  0.366  0.300  1.0
  O  O22  1  0.937  0.360  0.310  1.0
  O  O23  1  0.253  0.363  0.521  1.0
  O  O24  1  0.756  0.376  0.638  1.0
  O  O25  1  0.234  0.418  0.810  1.0
  O  O26  1  0.750  0.026  0.040  1.0
  O  O27  1  0.243  0.092  0.251  1.0
  O  O28  1  0.940  0.208  0.890  1.0
  O  O29  1  0.559  0.197  0.883  1.0
  O  O30  1  0.241  0.033  0.672  1.0
[/CIF]
.
The material structure described by LiMo4(P2O11)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second P site, P(2) is bonded to one O(10), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mo(1)O6 octahedra, and corners with three equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-57°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mo(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMo4(P2O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   7.574
_cell_length_c   9.096
_cell_angle_alpha   105.729
_cell_angle_beta   90.249
_cell_angle_gamma   90.545
_symmetry_Int_Tables_number   1
_cell_volume   429.266
_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  0.000  0.500  0.000  1.0
  Mo  Mo1  1  0.745  0.831  0.147  1.0
  Mo  Mo2  1  0.753  0.609  0.703  1.0
  Mo  Mo3  1  0.247  0.391  0.297  1.0
  Mo  Mo4  1  0.255  0.169  0.853  1.0
  P  P5  1  0.247  0.924  0.117  1.0
  P  P6  1  0.751  0.490  0.325  1.0
  P  P7  1  0.249  0.510  0.675  1.0
  P  P8  1  0.753  0.076  0.883  1.0
  O  O9  1  0.759  0.967  0.328  1.0
  O  O10  1  0.441  0.803  0.117  1.0
  O  O11  1  0.060  0.792  0.110  1.0
  O  O12  1  0.757  0.908  0.749  1.0
  O  O13  1  0.250  0.974  0.960  1.0
  O  O14  1  0.766  0.582  0.190  1.0
  O  O15  1  0.244  0.624  0.362  1.0
  O  O16  1  0.747  0.637  0.479  1.0
  O  O17  1  0.063  0.640  0.690  1.0
  O  O18  1  0.445  0.634  0.700  1.0
  O  O19  1  0.233  0.361  0.092  1.0
  O  O20  1  0.767  0.639  0.908  1.0
  O  O21  1  0.555  0.366  0.300  1.0
  O  O22  1  0.937  0.360  0.310  1.0
  O  O23  1  0.253  0.363  0.521  1.0
  O  O24  1  0.756  0.376  0.638  1.0
  O  O25  1  0.234  0.418  0.810  1.0
  O  O26  1  0.750  0.026  0.040  1.0
  O  O27  1  0.243  0.092  0.251  1.0
  O  O28  1  0.940  0.208  0.890  1.0
  O  O29  1  0.559  0.197  0.883  1.0
  O  O30  1  0.241  0.033  0.672  1.0
[/CIF]
.