#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 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -0.000000 -0.000000 -0.000000 0.5 0.5 0 -0.5 0.5 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 10.117400 10.117400 14.428300 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ba Ba1_1 1.0000 0.000000 0.000000 0.250000 2a m'.. 0.000000 0.000000 0.000000 0.00 2 Ba Ba1_2 1.0000 0.333300 0.666700 0.250000 4b 1 0.000000 0.000000 0.000000 0.00 3 Ba Ba2_1 1.0000 0.333300 0.333300 0.911200 2a m'.. 0.000000 0.000000 0.000000 0.00 4 Ba Ba2_2 1.0000 0.333300 0.000000 0.411200 4b 1 0.000000 0.000000 0.000000 0.00 5 Ba Ba2_3 1.0000 0.333300 0.000000 0.088800 4b 1 0.000000 0.000000 0.000000 0.00 6 Ba Ba2_4 1.0000 0.333300 0.333300 0.588800 2a m'.. 0.000000 0.000000 0.000000 0.00 7 Co Co1_1 1.0000 0.000000 0.000000 0.000000 2a m'.. 0.000000 0.000000 0.000000 0.00 8 Co Co1_2 1.0000 0.333300 0.666700 0.000000 4b 1 0.000000 0.000000 0.000000 0.00 9 Sb Sb1_1 1.0000 0.333300 0.333300 0.151800 2a m'.. 0.000000 0.000000 0.000000 0.00 10 Sb Sb1_2 1.0000 0.333300 0.000000 0.651800 4b 1 0.000000 0.000000 0.000000 0.00 11 Sb Sb1_3 1.0000 0.333300 0.000000 0.848200 4b 1 0.000000 0.000000 0.000000 0.00 12 Sb Sb1_4 1.0000 0.333300 0.333300 0.348200 2a m'.. 0.000000 0.000000 0.000000 0.00 13 O O1_1 1.0000 0.482800 0.482800 0.250000 2a m'.. 0.000000 0.000000 0.000000 0.00 14 O O1_2 1.0000 0.517200 0.000000 0.250000 4b 1 0.000000 0.000000 0.000000 0.00 15 O O1_3 1.0000 0.816100 0.149500 0.250000 4b 1 0.000000 0.000000 0.000000 0.00 16 O O1_4 1.0000 0.850500 0.666700 0.250000 4b 1 0.000000 0.000000 0.000000 0.00 17 O O1_5 1.0000 0.333300 0.183900 0.250000 4b 1 0.000000 0.000000 0.000000 0.00 18 O O2_1 1.0000 0.169700 0.169700 0.415700 2a m'.. 0.000000 0.000000 0.000000 0.00 19 O O2_2 1.0000 0.830300 0.000000 0.415700 4b 1 0.000000 0.000000 0.000000 0.00 20 O O2_3 1.0000 0.169700 0.000000 0.584300 4b 1 0.000000 0.000000 0.000000 0.00 21 O O2_4 1.0000 0.830300 0.830300 0.584300 2a m'.. 0.000000 0.000000 0.000000 0.00 22 O O2_5 1.0000 0.503000 0.836400 0.415700 4b 1 0.000000 0.000000 0.000000 0.00 23 O O2_6 1.0000 0.163600 0.666700 0.415700 4b 1 0.000000 0.000000 0.000000 0.00 24 O O2_7 1.0000 0.333300 0.497000 0.415700 4b 1 0.000000 0.000000 0.000000 0.00 25 O O2_8 1.0000 0.503000 0.666700 0.584300 4b 1 0.000000 0.000000 0.000000 0.00 26 O O2_9 1.0000 0.163600 0.497000 0.584300 4b 1 0.000000 0.000000 0.000000 0.00 27 O O2_10 1.0000 0.333300 0.836400 0.584300 4b 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ba1_1 0.000000 2 Ba1_2 0.000000 3 Ba2_1 0.000000 4 Ba2_2 0.000000 5 Ba2_3 0.000000 6 Ba2_4 0.000000 7 Co1_1 0.000000 8 Co1_2 0.000000 9 Sb1_1 0.000000 10 Sb1_2 0.000000 11 Sb1_3 0.000000 12 Sb1_4 0.000000 13 O1_1 0.000000 14 O1_2 0.000000 15 O1_3 0.000000 16 O1_4 0.000000 17 O1_5 0.000000 18 O2_1 0.000000 19 O2_2 0.000000 20 O2_3 0.000000 21 O2_4 0.000000 22 O2_5 0.000000 23 O2_6 0.000000 24 O2_7 0.000000 25 O2_8 0.000000 26 O2_9 0.000000 27 O2_10 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 Co O 0.00000 2.40493 0 1 1 0 1 0.250 2.000 127 127 127 2 Sb O 0.00000 2.45237 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ba1_1 1.2000 30 239 44 30 239 44 60 0 2 Ba1_2 1.2000 30 239 44 30 239 44 60 0 3 Ba2_1 1.2000 30 239 44 30 239 44 60 0 4 Ba2_2 1.2000 30 239 44 30 239 44 60 0 5 Ba2_3 1.2000 30 239 44 30 239 44 60 0 6 Ba2_4 1.2000 30 239 44 30 239 44 60 0 7 Co1_1 1.2500 0 0 175 0 0 175 60 0 8 Co1_2 1.2500 0 0 175 0 0 175 60 0 9 Sb1_1 1.4100 215 131 79 215 131 79 60 0 10 Sb1_2 1.4100 215 131 79 215 131 79 60 0 11 Sb1_3 1.4100 215 131 79 215 131 79 60 0 12 Sb1_4 1.4100 215 131 79 215 131 79 60 0 13 O1_1 0.4000 254 3 0 254 3 0 60 0 14 O1_2 0.4000 254 3 0 254 3 0 60 0 15 O1_3 0.4000 254 3 0 254 3 0 60 0 16 O1_4 0.4000 254 3 0 254 3 0 60 0 17 O1_5 0.4000 254 3 0 254 3 0 60 0 18 O2_1 0.4000 254 3 0 254 3 0 60 0 19 O2_2 0.4000 254 3 0 254 3 0 60 0 20 O2_3 0.4000 254 3 0 254 3 0 60 0 21 O2_4 0.4000 254 3 0 254 3 0 60 0 22 O2_5 0.4000 254 3 0 254 3 0 60 0 23 O2_6 0.4000 254 3 0 254 3 0 60 0 24 O2_7 0.4000 254 3 0 254 3 0 60 0 25 O2_8 0.4000 254 3 0 254 3 0 60 0 26 O2_9 0.4000 254 3 0 254 3 0 60 0 27 O2_10 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 1.35000 0 7 0 0 0 0 0 0 0 0 0 2 0.67500 -0.67500 -0.67500 0 8 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 Ba 1.2000 30 239 44 30 239 44 60 2 Co 1.2500 0 0 175 0 0 175 60 3 Sb 1.4100 215 131 79 215 131 79 60 4 O 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 SCENE 0.921308 -0.388253 0.021219 0.000000 0.046796 0.164889 0.985201 0.000000 -0.386006 -0.906681 0.170083 0.000000 0.000000 0.000000 0.000000 1.000000 0.135 0.000 0.000 1.116 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 1.111111 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 1.000 246 246 246 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