data_4000378
_journal_name_full 'Chemistry of Materials'
_journal_year    2004
_chemical_formula_sum                  'Li2.50 O12 P3 V2'
_chemical_formula_weight               404.14
_cell_formula_units_Z                  4
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         'P 21/n'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
       1 +x,+y,+z
       2 -x+1/2,+y+1/2,-z+1/2
      -1 -x,-y,-z
      -2 +x+1/2,-y+1/2,+z+1/2
_cell_length_a                         8.5539(4)
_cell_length_b                         8.6099(4)
_cell_length_c                         11.9825(5)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.002(7)
_cell_angle_gamma                      90.0
_cell_volume                           882.49457
loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
V
V1      0.25054      0.4606       0.12595      1.0        Uiso   0.006         4
V
V2      0.74918      0.46844      0.39561      1.0        Uiso   0.006         4
P
P1      0.1069(17)   0.1023(18)   0.1462(14)   1.0        Uiso   0.0149(16)    4
P
P2      0.6014(17)   0.1108(18)   0.3517(13)   1.0        Uiso   0.0149(16)    4
P
P3      0.0390(13)   0.2537(23)   0.4955(13)   1.0        Uiso   0.0149(16)    4
O
O1      0.9295(16)   0.1103(20)   0.1481(15)   1.0        Uiso   0.0169(6)     4
O
O2      0.1594(20)   0.9873(20)   0.2334(15)   1.0        Uiso   0.0169(6)     4
O
O3      0.1702(21)   0.0565(21)   0.0349(14)   1.0        Uiso   0.0169(6)     4
O
O4      0.1614(19)   0.2682(20)   0.1733(14)   1.0        Uiso   0.0169(6)     4
O
O5      0.4246(17)   0.0968(19)   0.3323(14)   1.0        Uiso   0.0169(6)     4
O
O6      0.6880(19)   0.9908(21)   0.2796(14)   1.0        Uiso   0.0169(6)     4
O
O7      0.6470(20)   0.0669(21)   0.4692(13)   1.0        Uiso   0.0169(6)     4
O
O8      0.6505(21)   0.2753(20)   0.3146(14)   1.0        Uiso   0.0169(6)     4
O
O9      0.9424(19)   0.1407(18)   0.5648(12)   1.0        Uiso   0.0169(6)     4
O
O10     0.9297(19)   0.3354(17)   0.4123(13)   1.0        Uiso   0.0169(6)     4
O
O11     0.1604(17)   0.1644(20)   0.4235(14)   1.0        Uiso   0.0169(6)     4
O
O12     0.1254(16)   0.3465(21)   0.5828(13)   1.0        Uiso   0.0169(6)     4
LI
Li1     0.299(6)     0.270(5)     0.323(4)     1.0        Uiso   0.026(7)      4
LI
Li3     0.562(10)    0.394(10)    0.187(6)     0.54(6)    Uiso   0.026(7)      4
LI
Li2     0.905(6)     0.300(6)     0.203(4)     0.96(6)    Uiso   0.026(7)      4