The crystal structure described by Li2Ba5(WO5)3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(5) atoms. In the second Li site, Li(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Li(2)O6 octahedra, and faces with three equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(5), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Li(2)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent W(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one W(3)O6 octahedra, faces with three equivalent Li(2)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(2), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent Li(2)O6 octahedra, and faces with three equivalent W(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra,  a faceface with one W(3)O6 octahedra, and faces with three equivalent W(2)O6 octahedra. There are three inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second W site, W(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form WO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third W site, W(3) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Li(2)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ba(1), one Ba(3), two equivalent Ba(4), and one W(3) atom to form distorted OBa4LiW octahedra that share corners with three equivalent O(3)Ba4W2 octahedra, corners with six equivalent O(1)Ba4LiW octahedra, and faces with four equivalent O(1)Ba4LiW octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Ba(2), one Ba(4), two equivalent Ba(3), and one W(1) atom. In the third O site, O(3) is bonded to one Ba(3), one Ba(5), two equivalent Ba(2), one W(1), and one W(2) atom to form distorted OBa4W2 octahedra that share corners with three equivalent O(1)Ba4LiW octahedra, corners with six equivalent O(3)Ba4W2 octahedra, and faces with four equivalent O(3)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Ba(4), one Ba(5), two equivalent Ba(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), one Ba(2), two equivalent Ba(5), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Li2(WO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.846
_cell_length_c   24.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   720.501
_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
  Ba  Ba0  1  0.000  0.000  0.150  1.0
  Ba  Ba1  1  0.000  0.000  0.850  1.0
  Ba  Ba2  1  0.667  0.333  0.958  1.0
  Ba  Ba3  1  0.667  0.333  0.553  1.0
  Ba  Ba4  1  0.000  0.000  0.650  1.0
  Ba  Ba5  1  0.333  0.667  0.053  1.0
  Ba  Ba6  1  0.000  0.000  0.350  1.0
  Ba  Ba7  1  0.667  0.333  0.242  1.0
  Ba  Ba8  1  0.333  0.667  0.458  1.0
  Ba  Ba9  1  0.333  0.667  0.742  1.0
  Li  Li10  1  0.667  0.333  0.681  1.0
  Li  Li11  1  0.333  0.667  0.181  1.0
  Li  Li12  1  0.000  0.000  0.009  1.0
  Li  Li13  1  0.000  0.000  0.509  1.0
  W  W14  1  0.333  0.667  0.902  1.0
  W  W15  1  0.667  0.333  0.799  1.0
  W  W16  1  0.333  0.667  0.299  1.0
  W  W17  1  0.667  0.333  0.402  1.0
  W  W18  1  0.333  0.667  0.599  1.0
  W  W19  1  0.667  0.333  0.099  1.0
  O  O20  1  0.352  0.176  0.053  1.0
  O  O21  1  0.177  0.823  0.943  1.0
  O  O22  1  0.500  0.000  0.351  1.0
  O  O23  1  0.824  0.648  0.053  1.0
  O  O24  1  0.491  0.981  0.647  1.0
  O  O25  1  0.646  0.823  0.943  1.0
  O  O26  1  0.177  0.355  0.259  1.0
  O  O27  1  0.355  0.177  0.759  1.0
  O  O28  1  0.823  0.645  0.759  1.0
  O  O29  1  0.177  0.823  0.259  1.0
  O  O30  1  0.000  0.500  0.851  1.0
  O  O31  1  0.823  0.177  0.443  1.0
  O  O32  1  0.354  0.177  0.443  1.0
  O  O33  1  0.500  0.500  0.351  1.0
  O  O34  1  1.000  0.500  0.351  1.0
  O  O35  1  0.500  0.500  0.851  1.0
  O  O36  1  0.177  0.354  0.943  1.0
  O  O37  1  0.019  0.509  0.647  1.0
  O  O38  1  0.176  0.352  0.553  1.0
  O  O39  1  0.824  0.176  0.053  1.0
  O  O40  1  0.491  0.509  0.647  1.0
  O  O41  1  0.648  0.824  0.553  1.0
  O  O42  1  0.981  0.491  0.147  1.0
  O  O43  1  0.823  0.177  0.759  1.0
  O  O44  1  0.509  0.491  0.147  1.0
  O  O45  1  0.509  0.019  0.147  1.0
  O  O46  1  0.500  1.000  0.851  1.0
  O  O47  1  0.645  0.823  0.259  1.0
  O  O48  1  0.823  0.646  0.443  1.0
  O  O49  1  0.176  0.824  0.553  1.0
[/CIF]
.
The crystal structure described by Li2Ba5(WO5)3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(5) atoms. In the second Li site, Li(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Li(2)O6 octahedra, and faces with three equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(5), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Li(2)O6 octahedra, faces with three equivalent W(1)O6 octahedra, and faces with three equivalent W(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one W(2)O6 octahedra,  a faceface with one W(3)O6 octahedra, faces with three equivalent Li(2)O6 octahedra, and faces with three equivalent W(1)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(2), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra, faces with three equivalent Li(2)O6 octahedra, and faces with three equivalent W(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one W(1)O6 octahedra,  a faceface with one W(3)O6 octahedra, and faces with three equivalent W(2)O6 octahedra. There are three inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form WO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second W site, W(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form WO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent W(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third W site, W(3) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent Li(2)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ba(1), one Ba(3), two equivalent Ba(4), and one W(3) atom to form distorted OBa4LiW octahedra that share corners with three equivalent O(3)Ba4W2 octahedra, corners with six equivalent O(1)Ba4LiW octahedra, and faces with four equivalent O(1)Ba4LiW octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(2), one Ba(2), one Ba(4), two equivalent Ba(3), and one W(1) atom. In the third O site, O(3) is bonded to one Ba(3), one Ba(5), two equivalent Ba(2), one W(1), and one W(2) atom to form distorted OBa4W2 octahedra that share corners with three equivalent O(1)Ba4LiW octahedra, corners with six equivalent O(3)Ba4W2 octahedra, and faces with four equivalent O(3)Ba4W2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Ba(4), one Ba(5), two equivalent Ba(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), one Ba(2), two equivalent Ba(5), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Li2(WO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.846
_cell_length_c   24.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   720.501
_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
  Ba  Ba0  1  0.000  0.000  0.150  1.0
  Ba  Ba1  1  0.000  0.000  0.850  1.0
  Ba  Ba2  1  0.667  0.333  0.958  1.0
  Ba  Ba3  1  0.667  0.333  0.553  1.0
  Ba  Ba4  1  0.000  0.000  0.650  1.0
  Ba  Ba5  1  0.333  0.667  0.053  1.0
  Ba  Ba6  1  0.000  0.000  0.350  1.0
  Ba  Ba7  1  0.667  0.333  0.242  1.0
  Ba  Ba8  1  0.333  0.667  0.458  1.0
  Ba  Ba9  1  0.333  0.667  0.742  1.0
  Li  Li10  1  0.667  0.333  0.681  1.0
  Li  Li11  1  0.333  0.667  0.181  1.0
  Li  Li12  1  0.000  0.000  0.009  1.0
  Li  Li13  1  0.000  0.000  0.509  1.0
  W  W14  1  0.333  0.667  0.902  1.0
  W  W15  1  0.667  0.333  0.799  1.0
  W  W16  1  0.333  0.667  0.299  1.0
  W  W17  1  0.667  0.333  0.402  1.0
  W  W18  1  0.333  0.667  0.599  1.0
  W  W19  1  0.667  0.333  0.099  1.0
  O  O20  1  0.352  0.176  0.053  1.0
  O  O21  1  0.177  0.823  0.943  1.0
  O  O22  1  0.500  0.000  0.351  1.0
  O  O23  1  0.824  0.648  0.053  1.0
  O  O24  1  0.491  0.981  0.647  1.0
  O  O25  1  0.646  0.823  0.943  1.0
  O  O26  1  0.177  0.355  0.259  1.0
  O  O27  1  0.355  0.177  0.759  1.0
  O  O28  1  0.823  0.645  0.759  1.0
  O  O29  1  0.177  0.823  0.259  1.0
  O  O30  1  0.000  0.500  0.851  1.0
  O  O31  1  0.823  0.177  0.443  1.0
  O  O32  1  0.354  0.177  0.443  1.0
  O  O33  1  0.500  0.500  0.351  1.0
  O  O34  1  1.000  0.500  0.351  1.0
  O  O35  1  0.500  0.500  0.851  1.0
  O  O36  1  0.177  0.354  0.943  1.0
  O  O37  1  0.019  0.509  0.647  1.0
  O  O38  1  0.176  0.352  0.553  1.0
  O  O39  1  0.824  0.176  0.053  1.0
  O  O40  1  0.491  0.509  0.647  1.0
  O  O41  1  0.648  0.824  0.553  1.0
  O  O42  1  0.981  0.491  0.147  1.0
  O  O43  1  0.823  0.177  0.759  1.0
  O  O44  1  0.509  0.491  0.147  1.0
  O  O45  1  0.509  0.019  0.147  1.0
  O  O46  1  0.500  1.000  0.851  1.0
  O  O47  1  0.645  0.823  0.259  1.0
  O  O48  1  0.823  0.646  0.443  1.0
  O  O49  1  0.176  0.824  0.553  1.0
[/CIF]
.