#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Ba3 Co Ir2 O9" GROUP 15 85 C2/c PSPGR 15 1 C 2/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 -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 0.500000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.500000 0.500000 -1 0 0 0 1 0 0 0 -1 1 0.500000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 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 5.734000 9.984100 14.265200 90.000000 90.040001 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ba Ba1 1.0000 0.000400 0.331200 0.087700 8f 1 0.000000 0.000000 0.000000 0.00 2 Ba Ba2 1.0000 0.000000 0.999400 0.250000 4e 2 0.000000 0.000000 0.000000 0.00 3 Co Co1 1.0000 0.000000 0.000000 0.000000 4a -1 0.000000 0.000000 0.000000 0.00 4 Ir Ir1 1.0000 0.994000 0.333700 0.846200 8f 1 0.000000 0.000000 0.000000 0.00 5 O O1 1.0000 0.000000 0.503000 0.250000 4e 2 0.000000 0.000000 0.000000 0.00 6 O O2 1.0000 0.266200 0.241400 0.238100 8f 1 0.000000 0.000000 0.000000 0.00 7 O O3 1.0000 0.029600 0.840100 0.080500 8f 1 0.000000 0.000000 0.000000 0.00 8 O O4 1.0000 0.256700 0.100300 0.081400 8f 1 0.000000 0.000000 0.000000 0.00 9 O O5 1.0000 0.770900 0.074400 0.078400 8f 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ba1 0.000000 2 Ba2 0.000000 3 Co1 0.000000 4 Ir1 0.000000 5 O1 0.000000 6 O2 0.000000 7 O3 0.000000 8 O4 0.000000 9 O5 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 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 Ir O 0.00000 2.27746 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ba1 1.3000 30 239 44 30 239 44 80 0 2 Ba2 1.3000 30 239 44 30 239 44 80 0 3 Co1 1.2500 0 0 175 0 0 175 80 0 4 Ir1 1.1000 201 206 114 201 206 114 80 0 5 O1 0.4000 254 3 0 254 3 0 80 0 6 O2 0.4000 254 3 0 254 3 0 80 0 7 O3 0.4000 254 3 0 254 3 0 80 0 8 O4 0.4000 254 3 0 254 3 0 80 0 9 O5 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 2.45000 0 3 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 0.57000 0 4 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 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 1.3000 30 239 44 30 239 44 80 2 Co 1.2500 0 0 175 0 0 175 80 3 Ir 1.1000 201 206 114 201 206 114 80 4 O 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 SCENE 0.259599 0.965677 0.008707 0.000000 0.003776 -0.010031 0.999943 0.000000 0.965709 -0.259551 -0.006251 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 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 0.612245 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 80 1 1.000 226 226 226 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