#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 14 79 P2_1'/c' PSPGR 14 1 P 2_1/c SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.500000 0.500000 -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 0.500000 0.500000 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 0 -0.000000 -0.000000 -0.000000 1 0 0 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 3.138500 9.400200 12.020400 90.000000 92.269997 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Mn Mn1 0.0900 0.000000 0.000000 0.000000 2a -1 0.000000 0.000000 0.000000 0.00 2 Cu Cu1 0.9100 0.000000 0.000000 0.000000 2a -1 0.000000 0.000000 0.000000 0.00 3 Mn Mn2 0.0680 0.500000 0.000000 0.500000 2d -1 0.000000 0.000000 0.000000 0.00 4 Cu Cu2 0.9320 0.500000 0.000000 0.500000 2d -1 0.000000 0.000000 0.000000 0.00 5 Mn Mn3 0.1020 0.063800 0.987700 0.279000 4e 1 0.000000 0.000000 0.000000 0.00 6 Cu Cu3 0.8980 0.063800 0.987700 0.279000 4e 1 0.000000 0.000000 0.000000 0.00 7 Mn Mn4 0.8770 0.576000 0.732400 0.378500 4e 1 0.000000 0.000000 0.000000 0.00 8 Cu Cu4 0.1230 0.576000 0.732400 0.378500 4e 1 0.000000 0.000000 0.000000 0.00 9 B B1 1.0000 0.405700 0.264000 0.367000 4e 1 0.000000 0.000000 0.000000 0.00 10 O O1 1.0000 0.003800 0.095300 0.145400 4e 1 0.000000 0.000000 0.000000 0.00 11 O O2 1.0000 0.149200 0.872500 0.411800 4e 1 0.000000 0.000000 0.000000 0.00 12 O O3 1.0000 0.466100 0.118700 0.365400 4e 1 0.000000 0.000000 0.000000 0.00 13 O O4 1.0000 0.609100 0.659700 0.536900 4e 1 0.000000 0.000000 0.000000 0.00 14 O O5 1.0000 0.641900 0.833200 0.233700 4e 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Mn1 1.000000 2 Cu1 1.000000 3 Mn2 1.000000 4 Cu2 1.000000 5 Mn3 1.000000 6 Cu3 1.000000 7 Mn4 1.000000 8 Cu4 1.000000 9 B1 1.000000 10 O1 1.000000 11 O2 1.000000 12 O3 1.000000 13 O4 1.000000 14 O5 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 -0.1 1.1 0 1 0 0 0 0 0 SBOND 1 Mn O 0.00000 2.51652 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Mn1 1.1000 168 8 158 168 8 158 20 0 2 Cu1 1.0000 34 71 220 34 71 220 20 0 3 Mn2 1.1000 168 8 158 168 8 158 20 0 4 Cu2 1.0000 34 71 220 34 71 220 20 0 5 Mn3 1.1000 168 8 158 168 8 158 20 0 6 Cu3 1.0000 34 71 220 34 71 220 20 0 7 Mn4 1.1000 168 8 158 168 8 158 20 0 8 Cu4 1.0000 34 71 220 34 71 220 20 0 9 B1 0.8100 31 162 15 31 162 15 20 0 10 O1 0.4000 254 3 0 254 3 0 20 0 11 O2 0.4000 254 3 0 254 3 0 20 0 12 O3 0.4000 254 3 0 254 3 0 20 0 13 O4 0.4000 254 3 0 254 3 0 20 0 14 O5 0.4000 254 3 0 254 3 0 20 0 0 0 0 0 0 0 VECTR 1 0.09000 0.00000 -0.44000 0 2 0 0 0 0 0 0 0 0 0 2 0.60000 0.00000 0.97000 0 4 0 0 0 0 0 0 0 0 0 3 -0.23000 0.00000 0.91000 0 6 0 0 0 0 0 0 0 0 0 4 -1.93000 0.00000 -1.91000 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 3 2 0.500 255 0 0 3 3 0.500 255 0 0 3 4 0.500 255 0 0 3 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 Mn 1.1000 168 8 158 168 8 158 20 2 Cu 1.0000 34 71 220 34 71 220 20 3 B 0.8100 31 162 15 31 162 15 20 4 O 0.4000 254 3 0 254 3 0 20 0 0 0 0 0 0 SCENE -0.359755 0.010359 0.932989 0.000000 0.207177 0.975864 0.069051 0.000000 -0.909755 0.218135 -0.353218 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.121 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.750000 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 20 1 1.000 156 156 156 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 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 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