data_Li4Mn(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.54
_cell_length_c   7.66
_cell_angle_alpha   94.52
_cell_angle_beta   90.28
_cell_angle_gamma   90.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn(WO4)3
_chemical_formula_sum   'Li4 Mn1 W3 O12'
_cell_volume   220.37
_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  0.18  0.23  0.42  1.0
  Li  Li1  1  0.59  0.56  0.83  1.0
  Li  Li2  1  0.99  0.43  0.56  1.0
  Li  Li3  1  0.53  0.83  0.41  1.0
  Mn  Mn4  1  0.58  0.41  0.8  1.0
  W  W5  1  0.2  0.46  0.09  1.0
  W  W6  1  0.03  0.72  0.93  1.0
  W  W7  1  0.55  0.04  0.62  1.0
  O  O8  1  0.49  0.74  0.23  1.0
  O  O9  1  0.61  0.56  0.79  1.0
  O  O10  1  0.53  0.45  0.46  1.0
  O  O11  1  0.91  0.69  0.31  1.0
  O  O12  1  0.14  0.36  0.09  1.0
  O  O13  1  0.95  0.48  0.89  1.0
  O  O14  1  0.27  0.8  0.7  1.0
  O  O15  1  0.0  0.64  0.43  1.0
  O  O16  1  0.35  0.4  0.19  1.0
  O  O17  1  0.57  0.52  0.12  1.0
  O  O18  1  0.53  0.93  0.81  1.0
  O  O19  1  0.61  0.3  0.2  1.0

data_Li4Mn(WO4)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.54
_cell_length_c   7.66
_cell_angle_alpha   94.52
_cell_angle_beta   90.28
_cell_angle_gamma   90.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn(WO4)3
_chemical_formula_sum   'Li4 Mn1 W3 O12'
_cell_volume   220.37
_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  0.18  0.23  0.42  1.0
  Li  Li1  1  0.53  0.83  0.41  1.0
  Li  Li2  1  0.59  0.56  0.83  1.0
  Li  Li3  1  0.99  0.43  0.56  1.0
  Mn  Mn4  1  0.58  0.41  0.8  1.0
  W  W5  1  0.03  0.72  0.93  1.0
  W  W6  1  0.2  0.46  0.09  1.0
  W  W7  1  0.55  0.04  0.62  1.0
  O  O8  1  0.0  0.64  0.43  1.0
  O  O9  1  0.14  0.36  0.09  1.0
  O  O10  1  0.27  0.8  0.7  1.0
  O  O11  1  0.35  0.4  0.19  1.0
  O  O12  1  0.49  0.74  0.23  1.0
  O  O13  1  0.53  0.93  0.81  1.0
  O  O14  1  0.53  0.45  0.46  1.0
  O  O15  1  0.57  0.52  0.12  1.0
  O  O16  1  0.61  0.3  0.2  1.0
  O  O17  1  0.61  0.56  0.79  1.0
  O  O18  1  0.91  0.69  0.31  1.0
  O  O19  1  0.95  0.48  0.89  1.0

Li Li Li Li Mn W W W O O O O O O O O O O O O
Li4Mn(WO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(3) and one O(9) atom. The Li(1)-O(3) bond length is 2.23 Å. The Li(1)-O(9) bond length is 2.26 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Mn(1), one O(10), one O(2), and one O(7) atom. The Li(2)-Mn(1) bond length is 0.84 Å. The Li(2)-O(10) bond length is 2.25 Å. The Li(2)-O(2) bond length is 0.37 Å. The Li(2)-O(7) bond length is 2.44 Å. In the third Li site, Li(3) is bonded in a single-bond geometry to one O(3), one O(7), and one O(8) atom. The Li(3)-O(3) bond length is 2.52 Å. The Li(3)-O(7) bond length is 2.68 Å. The Li(3)-O(8) bond length is 1.58 Å. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one W(3), one O(1), one O(3), one O(4), and one O(7) atom. The Li(4)-W(3) bond length is 1.91 Å. The Li(4)-O(1) bond length is 1.41 Å. The Li(4)-O(3) bond length is 2.13 Å. The Li(4)-O(4) bond length is 2.25 Å. The Li(4)-O(7) bond length is 2.62 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded in a distorted L-shaped geometry to one O(4), one O(5), and one O(9) atom. The W(1)-O(4) bond length is 2.52 Å. The W(1)-O(5) bond length is 0.59 Å. The W(1)-O(9) bond length is 1.13 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one O(6) and one O(7) atom. The W(2)-O(6) bond length is 1.36 Å. The W(2)-O(7) bond length is 2.23 Å. In the third W site, W(3) is bonded in a 2-coordinate geometry to one Li(4), one O(11), one O(3), and one O(7) atom. The W(3)-O(11) bond length is 1.63 Å. The W(3)-O(3) bond length is 2.73 Å. The W(3)-O(7) bond length is 2.07 Å. Mn(1) is bonded in a 2-coordinate geometry to one Li(2), one O(2), and one O(3) atom. The Mn(1)-O(2) bond length is 0.86 Å. The Mn(1)-O(3) bond length is 2.65 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Li(4) and one O(10) atom. The O(1)-O(10) bond length is 1.52 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Li(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(4), one W(3), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one W(1), and one O(8) atom. The O(4)-O(8) bond length is 1.16 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one W(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one W(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one W(2), one W(3), and one O(11) atom. The O(7)-O(11) bond length is 1.74 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(3) and one O(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Li(1), one W(1), one O(10), and one O(12) atom. The O(9)-O(10) bond length is 1.46 Å. The O(9)-O(12) bond length is 1.45 Å. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one O(1), one O(12), and one O(9) atom. The O(10)-O(12) bond length is 1.34 Å. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one W(3) and one O(7) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one O(10) and one O(9) atom.