#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 36 174 Cm'c2_1' PSPGR 194 1 P 6_3/m m c SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 1 -1 0.000000 0.000000 0.000000 0 -1 0 -1 0 0 0 0 1 -1 0.000000 0.000000 0.500000 0 1 0 1 0 0 0 0 1 1 0.333333 0.666667 0.000000 1 0 0 0 1 0 0 0 1 1 0.333333 0.666667 0.500000 -1 0 0 0 -1 0 0 0 1 -1 0.333333 0.666667 0.000000 0 -1 0 -1 0 0 0 0 1 -1 0.333333 0.666667 0.500000 0 1 0 1 0 0 0 0 1 1 0.666667 0.333333 0.000000 1 0 0 0 1 0 0 0 1 1 0.666667 0.333333 0.000000 0 -1 0 -1 0 0 0 0 1 -1 0.666667 0.333333 0.500000 -1 0 0 0 -1 0 0 0 1 -1 0.666667 0.333333 0.500000 0 1 0 1 0 0 0 0 1 1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 2 -0.000000 -0.000000 -0.000000 0.5 -1.5 0 0.5 1.5 0 0 0 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 20.760000 20.760000 5.870000 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Rb Rb1_1 1.0000 0.111110 0.222220 0.750000 12b 1 0.000000 0.000000 0.000000 0.00 2 Rb Rb1_2 1.0000 0.111110 0.888890 0.750000 6a m'.. 0.000000 0.000000 0.000000 0.00 3 Ni Ni1_1 1.0000 0.000000 0.000000 0.000000 6a m'.. 0.000000 0.000000 0.000000 0.00 4 Ni Ni1_2 1.0000 0.000000 0.333330 0.000000 12b 1 0.000000 0.000000 0.000000 0.00 5 Cl Cl1_1 1.0000 0.053330 0.106660 0.250000 12b 1 0.000000 0.000000 0.000000 0.00 6 Cl Cl1_2 1.0000 0.053330 0.946670 0.250000 6a m'.. 0.000000 0.000000 0.000000 0.00 7 Cl Cl1_3 1.0000 0.053330 0.440000 0.250000 12b 1 0.000000 0.000000 0.000000 0.00 8 Cl Cl1_4 1.0000 0.893330 0.280000 0.250000 12b 1 0.000000 0.000000 0.000000 0.00 9 Cl Cl1_5 1.0000 0.053330 0.280000 0.250000 12b 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Rb1_1 0.000000 2 Rb1_2 0.000000 3 Ni1_1 0.000000 4 Ni1_2 0.000000 5 Cl1_1 0.000000 6 Cl1_2 0.000000 7 Cl1_3 0.000000 8 Cl1_4 0.000000 9 Cl1_5 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 1 Ni Cl 0.00000 2.62649 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Rb1_1 1.2000 255 0 153 255 0 153 60 0 2 Rb1_2 1.2000 255 0 153 255 0 153 60 0 3 Ni1_1 1.2500 183 187 189 183 187 189 60 0 4 Ni1_2 1.2500 183 187 189 183 187 189 60 0 5 Cl1_1 0.5000 49 252 2 49 252 2 60 0 6 Cl1_2 0.5000 49 252 2 49 252 2 60 0 7 Cl1_3 0.5000 49 252 2 49 252 2 60 0 8 Cl1_4 0.5000 49 252 2 49 252 2 60 0 9 Cl1_5 0.5000 49 252 2 49 252 2 60 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 1.25000 0 3 0 0 0 0 0 0 0 0 0 2 1.05400 1.05400 -0.67200 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Rb 1.2000 255 0 153 255 0 153 60 2 Ni 1.2500 183 187 189 183 187 189 60 3 Cl 0.5000 49 252 2 49 252 2 60 0 0 0 0 0 0 SCENE 0.999941 -0.010018 -0.004170 0.000000 0.010004 0.999945 -0.003278 0.000000 0.004203 0.003236 0.999986 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.592 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 1.100000 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 60 1 1.000 236 236 236 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 SECCL 0 TEXCL 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000