#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Mn1 N4 H10 S2 O8" GROUP 2 7 P_S-1 PSPGR 2 1 P -1 SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 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 0.500000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.500000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 1 -0.000000 -0.000000 -0.000000 2 0 1 0 1 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 10.622000 5.807000 14.648000 91.839996 105.650002 98.820000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Mn Mn1 1.0000 0.250000 0.000000 0.250000 4d -1 0.000000 0.000000 0.000000 0.00 2 S S1 1.0000 0.074000 0.245000 0.356500 8i 1 0.000000 0.000000 0.000000 0.00 3 O O1 1.0000 0.068000 0.778000 0.203000 8i 1 0.000000 0.000000 0.000000 0.00 4 O O2 1.0000 0.171000 0.271000 0.300000 8i 1 0.000000 0.000000 0.000000 0.00 5 O O3 1.0000 0.076500 0.042000 0.417000 8i 1 0.000000 0.000000 0.000000 0.00 6 O O4 1.0000 0.399000 0.534000 0.078000 8i 1 0.000000 0.000000 0.000000 0.00 7 N N1 1.0000 0.215500 0.177000 0.120000 8i 1 0.000000 0.000000 0.000000 0.00 8 H H1 1.0000 0.190000 0.068000 0.065000 8i 1 0.000000 0.000000 0.000000 0.00 9 H H2 1.0000 0.307500 0.283000 0.115000 8i 1 0.000000 0.000000 0.000000 0.00 10 N N2 1.0000 0.121000 0.328000 0.109000 8i 1 0.000000 0.000000 0.000000 0.00 11 H H3 1.0000 0.121500 0.406000 0.047500 8i 1 0.000000 0.000000 0.000000 0.00 12 H H4 1.0000 0.041000 0.232000 0.111500 8i 1 0.000000 0.000000 0.000000 0.00 13 H H5 1.0000 0.161000 0.466000 0.169500 8i 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Mn1 0.000000 2 S1 0.000000 3 O1 0.000000 4 O2 0.000000 5 O3 0.000000 6 O4 0.000000 7 N1 0.000000 8 H1 0.000000 9 H2 0.000000 10 N2 0.000000 11 H3 0.000000 12 H4 0.000000 13 H5 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 Mn O 0.00000 2.40493 0 1 1 0 1 0.250 2.000 127 127 127 2 Mn N 0.00000 2.36293 0 1 1 0 1 0.250 2.000 127 127 127 3 H O 1.20000 2.10000 0 0 0 0 1 0.250 2.000 127 127 127 4 H N 0.00000 1.20000 0 1 0 0 1 0.250 2.000 127 127 127 5 N N 0.00000 1.88260 0 1 1 0 1 0.250 2.000 127 127 127 6 S O 0.00000 1.80000 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Mn1 1.3700 168 8 158 168 8 158 204 0 2 S1 1.0400 255 250 0 255 250 0 204 0 3 O1 0.7400 254 3 0 254 3 0 204 0 4 O2 0.7400 254 3 0 254 3 0 204 0 5 O3 0.7400 254 3 0 254 3 0 204 0 6 O4 0.7400 254 3 0 254 3 0 204 0 7 N1 0.7400 176 185 230 176 185 230 204 0 8 H1 0.4600 255 204 204 255 204 204 204 0 9 H2 0.4600 255 204 204 255 204 204 204 0 10 N2 0.7400 176 185 230 176 185 230 204 0 11 H3 0.4600 255 204 204 255 204 204 204 0 12 H4 0.4600 255 204 204 255 204 204 204 0 13 H5 0.4600 255 204 204 255 204 204 204 0 0 0 0 0 0 0 VECTR 1 0.00000 3.20000 0.00000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 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 S 1.0400 255 250 0 255 250 0 204 2 O 0.7400 254 3 0 254 3 0 204 3 N 0.7400 176 185 230 176 185 230 204 4 H 0.4600 255 204 204 255 204 204 204 5 Mn 1.3700 168 8 158 168 8 158 204 0 0 0 0 0 0 SCENE -0.231496 0.972528 0.024469 0.000000 -0.221541 -0.077192 0.972091 0.000000 0.947275 0.219615 0.233324 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.127 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 0.468750 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 204 1 1.000 180 180 180 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