The compound described by Li4Mo5O17 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(17), and one O(2) atom to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(17), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(9) atom. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(13), one O(3), one O(4), one O(7), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(17), and one O(8) atom. In the fifth Mo site, Mo(5) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(3), and one O(9) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(4) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mo(3), and one Mo(5) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(4) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(4), one Mo(2), and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(4) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mo(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(4), and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(3), one Mo(2), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mo(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(4), and one Mo(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Mo(2), and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Mo(4), and one Mo(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one Mo(4) atom. is represented by the CIF file [CIF]
data_Li4Mo5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.643
_cell_length_c   11.081
_cell_angle_alpha   106.953
_cell_angle_beta   88.541
_cell_angle_gamma   110.357
_symmetry_Int_Tables_number   1
_cell_volume   659.277
_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  0.745  0.051  0.639  1.0
  Li  Li1  1  0.255  0.949  0.361  1.0
  Li  Li2  1  0.200  0.284  0.565  1.0
  Li  Li3  1  0.800  0.716  0.435  1.0
  Li  Li4  1  0.807  0.596  0.688  1.0
  Li  Li5  1  0.193  0.404  0.312  1.0
  Li  Li6  1  0.032  0.785  0.066  1.0
  Li  Li7  1  0.968  0.215  0.934  1.0
  Mo  Mo8  1  0.638  0.879  0.976  1.0
  Mo  Mo9  1  0.362  0.121  0.024  1.0
  Mo  Mo10  1  0.261  0.544  0.853  1.0
  Mo  Mo11  1  0.739  0.456  0.147  1.0
  Mo  Mo12  1  0.480  0.710  0.203  1.0
  Mo  Mo13  1  0.520  0.290  0.797  1.0
  Mo  Mo14  1  0.384  0.693  0.612  1.0
  Mo  Mo15  1  0.616  0.307  0.388  1.0
  Mo  Mo16  1  0.847  0.057  0.336  1.0
  Mo  Mo17  1  0.153  0.943  0.664  1.0
  O  O18  1  0.690  0.069  0.964  1.0
  O  O19  1  0.310  0.931  0.036  1.0
  O  O20  1  0.658  0.829  0.350  1.0
  O  O21  1  0.342  0.171  0.650  1.0
  O  O22  1  0.659  0.918  0.158  1.0
  O  O23  1  0.341  0.082  0.842  1.0
  O  O24  1  0.863  0.839  0.942  1.0
  O  O25  1  0.137  0.161  0.058  1.0
  O  O26  1  0.211  0.352  0.864  1.0
  O  O27  1  0.789  0.648  0.136  1.0
  O  O28  1  0.046  0.589  0.904  1.0
  O  O29  1  0.954  0.411  0.096  1.0
  O  O30  1  0.447  0.664  0.012  1.0
  O  O31  1  0.553  0.336  0.988  1.0
  O  O32  1  0.248  0.599  0.462  1.0
  O  O33  1  0.752  0.401  0.538  1.0
  O  O34  1  0.050  0.997  0.271  1.0
  O  O35  1  0.950  0.003  0.729  1.0
  O  O36  1  0.255  0.753  0.237  1.0
  O  O37  1  0.745  0.247  0.763  1.0
  O  O38  1  0.415  0.516  0.210  1.0
  O  O39  1  0.585  0.484  0.790  1.0
  O  O40  1  0.915  0.119  0.503  1.0
  O  O41  1  0.085  0.881  0.497  1.0
  O  O42  1  0.459  0.752  0.823  1.0
  O  O43  1  0.541  0.248  0.177  1.0
  O  O44  1  0.452  0.902  0.627  1.0
  O  O45  1  0.548  0.098  0.373  1.0
  O  O46  1  0.232  0.502  0.674  1.0
  O  O47  1  0.768  0.498  0.326  1.0
  O  O48  1  0.902  0.245  0.308  1.0
  O  O49  1  0.098  0.755  0.692  1.0
  O  O50  1  0.631  0.676  0.586  1.0
  O  O51  1  0.369  0.324  0.414  1.0
[/CIF]
.
The compound described by Li4Mo5O17 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(12), one O(14), and one O(9) atom to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(17), and one O(2) atom to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(16), one O(17), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(9) atom. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(13), one O(3), one O(4), one O(7), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(17), and one O(8) atom. In the fifth Mo site, Mo(5) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(2), one O(3), and one O(9) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(4) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mo(3), and one Mo(5) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Li(4) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(4), one Mo(2), and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(4) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mo(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(4), and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(3), one Mo(2), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mo(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(4), and one Mo(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Mo(2), and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Mo(4), and one Mo(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one Mo(4) atom. is represented by the CIF file [CIF]
data_Li4Mo5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.643
_cell_length_c   11.081
_cell_angle_alpha   106.953
_cell_angle_beta   88.541
_cell_angle_gamma   110.357
_symmetry_Int_Tables_number   1
_cell_volume   659.277
_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  0.745  0.051  0.639  1.0
  Li  Li1  1  0.255  0.949  0.361  1.0
  Li  Li2  1  0.200  0.284  0.565  1.0
  Li  Li3  1  0.800  0.716  0.435  1.0
  Li  Li4  1  0.807  0.596  0.688  1.0
  Li  Li5  1  0.193  0.404  0.312  1.0
  Li  Li6  1  0.032  0.785  0.066  1.0
  Li  Li7  1  0.968  0.215  0.934  1.0
  Mo  Mo8  1  0.638  0.879  0.976  1.0
  Mo  Mo9  1  0.362  0.121  0.024  1.0
  Mo  Mo10  1  0.261  0.544  0.853  1.0
  Mo  Mo11  1  0.739  0.456  0.147  1.0
  Mo  Mo12  1  0.480  0.710  0.203  1.0
  Mo  Mo13  1  0.520  0.290  0.797  1.0
  Mo  Mo14  1  0.384  0.693  0.612  1.0
  Mo  Mo15  1  0.616  0.307  0.388  1.0
  Mo  Mo16  1  0.847  0.057  0.336  1.0
  Mo  Mo17  1  0.153  0.943  0.664  1.0
  O  O18  1  0.690  0.069  0.964  1.0
  O  O19  1  0.310  0.931  0.036  1.0
  O  O20  1  0.658  0.829  0.350  1.0
  O  O21  1  0.342  0.171  0.650  1.0
  O  O22  1  0.659  0.918  0.158  1.0
  O  O23  1  0.341  0.082  0.842  1.0
  O  O24  1  0.863  0.839  0.942  1.0
  O  O25  1  0.137  0.161  0.058  1.0
  O  O26  1  0.211  0.352  0.864  1.0
  O  O27  1  0.789  0.648  0.136  1.0
  O  O28  1  0.046  0.589  0.904  1.0
  O  O29  1  0.954  0.411  0.096  1.0
  O  O30  1  0.447  0.664  0.012  1.0
  O  O31  1  0.553  0.336  0.988  1.0
  O  O32  1  0.248  0.599  0.462  1.0
  O  O33  1  0.752  0.401  0.538  1.0
  O  O34  1  0.050  0.997  0.271  1.0
  O  O35  1  0.950  0.003  0.729  1.0
  O  O36  1  0.255  0.753  0.237  1.0
  O  O37  1  0.745  0.247  0.763  1.0
  O  O38  1  0.415  0.516  0.210  1.0
  O  O39  1  0.585  0.484  0.790  1.0
  O  O40  1  0.915  0.119  0.503  1.0
  O  O41  1  0.085  0.881  0.497  1.0
  O  O42  1  0.459  0.752  0.823  1.0
  O  O43  1  0.541  0.248  0.177  1.0
  O  O44  1  0.452  0.902  0.627  1.0
  O  O45  1  0.548  0.098  0.373  1.0
  O  O46  1  0.232  0.502  0.674  1.0
  O  O47  1  0.768  0.498  0.326  1.0
  O  O48  1  0.902  0.245  0.308  1.0
  O  O49  1  0.098  0.755  0.692  1.0
  O  O50  1  0.631  0.676  0.586  1.0
  O  O51  1  0.369  0.324  0.414  1.0
[/CIF]
.