The crystal structure described by LiWMoP2O11 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-62°. W(1) is bonded to one O(2), one O(5), one O(7), one O(9), and two equivalent O(4) atoms to form WO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with three equivalent Li(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 1-62°. Mo(1) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(3) atoms to form MoO6 octahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-59°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the second P site, P(2) is bonded to one O(7), one O(8), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-37°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one W(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 3-coordinate geometry to one Li(1), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one W(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMoP2WO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.263
_cell_length_c   7.880
_cell_angle_alpha   80.256
_cell_angle_beta   80.256
_cell_angle_gamma   75.918
_symmetry_Int_Tables_number   1
_cell_volume   206.791
_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  0.504  0.504  0.995  1.0
  Mo  Mo1  1  0.154  0.154  0.774  1.0
  P  P2  1  0.747  0.747  0.671  1.0
  P  P3  1  0.253  0.253  0.330  1.0
  W  W4  1  0.850  0.850  0.219  1.0
  O  O5  1  0.323  0.323  0.868  1.0
  O  O6  1  0.669  0.669  0.140  1.0
  O  O7  1  0.829  0.461  0.765  1.0
  O  O8  1  0.461  0.829  0.765  1.0
  O  O9  1  0.164  0.540  0.235  1.0
  O  O10  1  0.540  0.164  0.235  1.0
  O  O11  1  0.995  0.995  0.008  1.0
  O  O12  1  0.926  0.926  0.688  1.0
  O  O13  1  0.074  0.074  0.314  1.0
  O  O14  1  0.269  0.269  0.519  1.0
  O  O15  1  0.741  0.741  0.474  1.0
[/CIF]
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The crystal structure described by LiWMoP2O11 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-62°. W(1) is bonded to one O(2), one O(5), one O(7), one O(9), and two equivalent O(4) atoms to form WO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with three equivalent Li(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 1-62°. Mo(1) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(3) atoms to form MoO6 octahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-59°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent Mo(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the second P site, P(2) is bonded to one O(7), one O(8), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-37°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one W(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 3-coordinate geometry to one Li(1), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one W(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMoP2WO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.263
_cell_length_b   5.263
_cell_length_c   7.880
_cell_angle_alpha   80.256
_cell_angle_beta   80.256
_cell_angle_gamma   75.918
_symmetry_Int_Tables_number   1
_cell_volume   206.791
_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  0.504  0.504  0.995  1.0
  Mo  Mo1  1  0.154  0.154  0.774  1.0
  P  P2  1  0.747  0.747  0.671  1.0
  P  P3  1  0.253  0.253  0.330  1.0
  W  W4  1  0.850  0.850  0.219  1.0
  O  O5  1  0.323  0.323  0.868  1.0
  O  O6  1  0.669  0.669  0.140  1.0
  O  O7  1  0.829  0.461  0.765  1.0
  O  O8  1  0.461  0.829  0.765  1.0
  O  O9  1  0.164  0.540  0.235  1.0
  O  O10  1  0.540  0.164  0.235  1.0
  O  O11  1  0.995  0.995  0.008  1.0
  O  O12  1  0.926  0.926  0.688  1.0
  O  O13  1  0.074  0.074  0.314  1.0
  O  O14  1  0.269  0.269  0.519  1.0
  O  O15  1  0.741  0.741  0.474  1.0
[/CIF]
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