# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2018

#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  '�VP211_F                             '
_cell_length_a                         16.89196
_cell_length_b                         8.56035
_cell_length_c                         11.83219
_cell_angle_alpha                      89.92679
_cell_angle_beta                       90.10472
_cell_angle_gamma                      90.16637
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   O1         1.0     0.085160      0.169531      0.426175     Biso  1.000000 O
   O2         1.0     0.329545      0.284398      0.301240     Biso  1.000000 O
   O3         1.0     0.052504      0.354836      0.580062     Biso  1.000000 O
   O4         1.0     0.215324      0.097541      0.318853     Biso  1.000000 O
   O5         1.0     0.350485      0.991808      0.281925     Biso  1.000000 O
   O6         1.0     0.481039      0.120733      0.541337     Biso  1.000000 O
   O7         1.0     0.068745      0.979887      0.234486     Biso  1.000000 O
   O8         1.0     0.470897      0.350759      0.398883     Biso  1.000000 O
   O9         1.0     0.092554      0.047958      0.033781     Biso  1.000000 O
   O10        1.0     0.320350      0.110595      0.471637     Biso  1.000000 O
   O11        1.0     0.460305      0.129550      0.131827     Biso  1.000000 O
   O12        1.0     0.088127      0.264312      0.185317     Biso  1.000000 O
   O13        1.0     0.159547      0.672419      0.063683     Biso  1.000000 O
   O14        1.0     0.436227      0.794845      0.181144     Biso  1.000000 O
   O15        1.0     0.203667      0.864730      0.917208     Biso  1.000000 O
   O16        1.0     0.034874      0.570650      0.177614     Biso  1.000000 O
   O17        1.0     0.392860      0.509767      0.212860     Biso  1.000000 O
   O18        1.0     0.278206      0.624595      0.938682     Biso  1.000000 O
   O19        1.0     0.189966      0.483293      0.255452     Biso  1.000000 O
   O20        1.0     0.284409      0.817482      0.101278     Biso  1.000000 O
   O21        1.0     0.154786      0.541963      0.452469     Biso  1.000000 O
   O22        1.0     0.433939      0.602769      0.019500     Biso  1.000000 O
   O23        1.0     0.288366      0.638762      0.367838     Biso  1.000000 O
   O24        1.0     0.164867      0.765485      0.307475     Biso  1.000000 O
   O25        1.0     0.186689      0.706615      0.668408     Biso  1.000000 O
   O26        1.0     0.294238      0.904086      0.660470     Biso  1.000000 O
   O27        1.0     0.155764      0.996859      0.710177     Biso  1.000000 O
   O28        1.0     0.029993      0.871471      0.441342     Biso  1.000000 O
   O29        1.0     0.440378      0.008319      0.745929     Biso  1.000000 O
   O30        1.0     0.033697      0.667253      0.599998     Biso  1.000000 O
   O31        1.0     0.400251      0.953171      0.945545     Biso  1.000000 O
   O32        1.0     0.185591      0.910654      0.513936     Biso  1.000000 O
   O33        1.0     0.039864      0.869606      0.851853     Biso  1.000000 O
   O34        1.0     0.419334      0.728372      0.800334     Biso  1.000000 O
   O35        1.0     0.344177      0.324605      0.932071     Biso  1.000000 O
   O36        1.0     0.065141      0.204460      0.817457     Biso  1.000000 O
   O37        1.0     0.296841      0.125757      0.072353     Biso  1.000000 O
   O38        1.0     0.468246      0.421859      0.823521     Biso  1.000000 O
   O39        1.0     0.107524      0.492418      0.780631     Biso  1.000000 O
   O40        1.0     0.224584      0.370293      0.054040     Biso  1.000000 O
   O41        1.0     0.316045      0.514329      0.742909     Biso  1.000000 O
   O42        1.0     0.218735      0.180100      0.888198     Biso  1.000000 O
   O43        1.0     0.353240      0.479012      0.547275     Biso  1.000000 O
   O44        1.0     0.070043      0.402766      0.975068     Biso  1.000000 O
   O45        1.0     0.219156      0.368359      0.623620     Biso  1.000000 O
   O46        1.0     0.342862      0.235964      0.680124     Biso  1.000000 O
   O47        1.0     0.599100      0.202329      0.435554     Biso  1.000000 O
   O48        1.0     0.812193      0.292862      0.325030     Biso  1.000000 O
   O49        1.0     0.541928      0.376738      0.588171     Biso  1.000000 O
   O50        1.0     0.717197      0.074214      0.316730     Biso  1.000000 O
   O51        1.0     0.857741      0.004948      0.286328     Biso  1.000000 O
   O52        1.0     0.968831      0.125901      0.558750     Biso  1.000000 O
   O53        1.0     0.551527      0.989824      0.265703     Biso  1.000000 O
   O54        1.0     0.965040      0.327458      0.397970     Biso  1.000000 O
   O55        1.0     0.594694      0.017966      0.065865     Biso  1.000000 O
   O56        1.0     0.813791      0.088421      0.479472     Biso  1.000000 O
   O57        1.0     0.964045      0.133244      0.135279     Biso  1.000000 O
   O58        1.0     0.583718      0.261479      0.193586     Biso  1.000000 O
   O59        1.0     0.661815      0.670417      0.074404     Biso  1.000000 O
   O60        1.0     0.939906      0.790185      0.175219     Biso  1.000000 O
   O61        1.0     0.700611      0.860130      0.924365     Biso  1.000000 O
   O62        1.0     0.533993      0.583932      0.181429     Biso  1.000000 O
   O63        1.0     0.894060      0.504951      0.215368     Biso  1.000000 O
   O64        1.0     0.778531      0.624708      0.944544     Biso  1.000000 O
   O65        1.0     0.680121      0.486789      0.270103     Biso  1.000000 O
   O66        1.0     0.785955      0.821505      0.106408     Biso  1.000000 O
   O67        1.0     0.653798      0.569983      0.469495     Biso  1.000000 O
   O68        1.0     0.933714      0.588775      0.020201     Biso  1.000000 O
   O69        1.0     0.785095      0.638380      0.367729     Biso  1.000000 O
   O70        1.0     0.660832      0.773944      0.314804     Biso  1.000000 O
   O71        1.0     0.912777      0.824688      0.570170     Biso  1.000000 O
   O72        1.0     0.656501      0.717597      0.696874     Biso  1.000000 O
   O73        1.0     0.949263      0.640695      0.416359     Biso  1.000000 O
   O74        1.0     0.776931      0.889642      0.667112     Biso  1.000000 O
   O75        1.0     0.646903      0.011136      0.727186     Biso  1.000000 O
   O76        1.0     0.929206      0.015305      0.760982     Biso  1.000000 O
   O77        1.0     0.912250      0.944913      0.961452     Biso  1.000000 O
   O78        1.0     0.657831      0.902831      0.533209     Biso  1.000000 O
   O79        1.0     0.536357      0.871412      0.873749     Biso  1.000000 O
   O80        1.0     0.915957      0.729528      0.810268     Biso  1.000000 O
   O81        1.0     0.837856      0.325636      0.932134     Biso  1.000000 O
   O82        1.0     0.557705      0.198653      0.839836     Biso  1.000000 O
   O83        1.0     0.802202      0.133532      0.082807     Biso  1.000000 O
   O84        1.0     0.966845      0.418072      0.819619     Biso  1.000000 O
   O85        1.0     0.612319      0.476049      0.795255     Biso  1.000000 O
   O86        1.0     0.723917      0.372043      0.069203     Biso  1.000000 O
   O87        1.0     0.811083      0.514812      0.739763     Biso  1.000000 O
   O88        1.0     0.712777      0.177251      0.908354     Biso  1.000000 O
   O89        1.0     0.843835      0.450335      0.542625     Biso  1.000000 O
   O90        1.0     0.565329      0.408723      0.988117     Biso  1.000000 O
   O91        1.0     0.712109      0.355149      0.633308     Biso  1.000000 O
   O92        1.0     0.834063      0.228946      0.691252     Biso  1.000000 O
   V1         1.0     0.370951      0.475912      0.386588     Biso  1.000000 V
   V2         1.0     0.126022      0.459165      0.108399     Biso  1.000000 V
   V3         1.0     0.373974      0.970460      0.108261     Biso  1.000000 V
   V4         1.0     0.127090      0.964920      0.383282     Biso  1.000000 V
   V5         1.0     0.125411      0.521080      0.608962     Biso  1.000000 V
   V6         1.0     0.378346      0.538931      0.885615     Biso  1.000000 V
   V7         1.0     0.129910      0.024676      0.880290     Biso  1.000000 V
   V8         1.0     0.380432      0.037187      0.597918     Biso  1.000000 V
   V9         1.0     0.875333      0.477711      0.386704     Biso  1.000000 V
   V10        1.0     0.622442      0.461298      0.121047     Biso  1.000000 V
   V11        1.0     0.876947      0.973094      0.114424     Biso  1.000000 V
   V12        1.0     0.626826      0.981132      0.391565     Biso  1.000000 V
   V13        1.0     0.629474      0.510637      0.620653     Biso  1.000000 V
   V14        1.0     0.876882      0.534629      0.887457     Biso  1.000000 V
   V15        1.0     0.624528      0.023487      0.903116     Biso  1.000000 V
   V16        1.0     0.870067      0.029208      0.613166     Biso  1.000000 V
   Li1        1.0     0.447857      0.307811      0.234188     Biso  1.000000 Li
   Li2        1.0     0.094577      0.774265      0.174512     Biso  1.000000 Li
   Li3        1.0     0.289607      0.415976      0.182592     Biso  1.000000 Li
   Li4        1.0     0.273445      0.826527      0.259433     Biso  1.000000 Li
   Li5        1.0     0.150259      0.285977      0.323148     Biso  1.000000 Li
   Li6        1.0     0.434073      0.872667      0.350554     Biso  1.000000 Li
   Li7        1.0     0.031057      0.671731      0.763353     Biso  1.000000 Li
   Li8        1.0     0.406746      0.214125      0.820919     Biso  1.000000 Li
   Li9        1.0     0.214939      0.593815      0.803629     Biso  1.000000 Li
   Li10       1.0     0.221763      0.182827      0.724520     Biso  1.000000 Li
   Li11       1.0     0.365524      0.706948      0.644177     Biso  1.000000 Li
   Li12       1.0     0.038488      0.079835      0.687712     Biso  1.000000 Li
   Li13       1.0     0.973353      0.326145      0.232906     Biso  1.000000 Li
   Li14       1.0     0.593869      0.790813      0.176353     Biso  1.000000 Li
   Li15       1.0     0.786735      0.425399      0.196950     Biso  1.000000 Li
   Li16       1.0     0.775645      0.831478      0.268005     Biso  1.000000 Li
   Li17       1.0     0.659793      0.279391      0.316139     Biso  1.000000 Li
   Li18       1.0     0.963965      0.908583      0.309330     Biso  1.000000 Li
   Li19       1.0     0.568209      0.686837      0.809282     Biso  1.000000 Li
   Li20       1.0     0.904687      0.219644      0.823790     Biso  1.000000 Li
   Li21       1.0     0.715174      0.582665      0.815079     Biso  1.000000 Li
   Li22       1.0     0.720674      0.181206      0.747338     Biso  1.000000 Li
   Li23       1.0     0.849337      0.711555      0.674223     Biso  1.000000 Li
   Li24       1.0     0.540693      0.099446      0.691398     Biso  1.000000 Li
   P1         1.0     0.303861      0.121637      0.345682     Biso  1.000000 P
   P2         1.0     0.015961      0.247468      0.490243     Biso  1.000000 P
   P3         1.0     0.054619      0.105800      0.141622     Biso  1.000000 P
   P4         1.0     0.447987      0.622582      0.145710     Biso  1.000000 P
   P5         1.0     0.232431      0.748061      0.006201     Biso  1.000000 P
   P6         1.0     0.198075      0.607025      0.350870     Biso  1.000000 P
   P7         1.0     0.204675      0.878346      0.637465     Biso  1.000000 P
   P8         1.0     0.446804      0.889496      0.845797     Biso  1.000000 P
   P9         1.0     0.053989      0.377915      0.850100     Biso  1.000000 P
   P10        1.0     0.270212      0.247054      0.985241     Biso  1.000000 P
   P11        1.0     0.308383      0.397068      0.644330     Biso  1.000000 P
   P12        1.0     0.803248      0.118004      0.354015     Biso  1.000000 P
   P13        1.0     0.521908      0.266043      0.488227     Biso  1.000000 P
   P14        1.0     0.548637      0.101050      0.159412     Biso  1.000000 P
   P15        1.0     0.948826      0.615623      0.144972     Biso  1.000000 P
   P16        1.0     0.733162      0.747186      0.014198     Biso  1.000000 P
   P17        1.0     0.694116      0.616640      0.359738     Biso  1.000000 P
   P18        1.0     0.686319      0.881335      0.654976     Biso  1.000000 P
   P19        1.0     0.983138      0.747936      0.508167     Biso  1.000000 P
   P20        1.0     0.948572      0.889914      0.851870     Biso  1.000000 P
   P21        1.0     0.551806      0.375330      0.863947     Biso  1.000000 P
   P22        1.0     0.768559      0.250190      0.997940     Biso  1.000000 P
   P23        1.0     0.802839      0.387366      0.646406     Biso  1.000000 P
   F1         1.0     0.415366      0.837715      0.517570     Biso  1.000000 F
