#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Bi4 Fe5 O13 F" GROUP 86 73 P_C4_2/n PSPGR 135 1 P 4_2/m b c SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.500000 0.500000 0 -1 0 1 0 0 0 0 1 1 0.500000 0.500000 0.500000 0 1 0 -1 0 0 0 0 1 1 0.000000 0.000000 0.000000 -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 0.000000 0.000000 0.500000 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 0.500000 0.500000 0.000000 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 0.000000 0.000000 0.500000 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 0.500000 0.500000 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 0.500000 0.500000 0.500000 0 1 0 -1 0 0 0 0 -1 -1 0.500000 0.500000 0.500000 0 -1 0 1 0 0 0 0 -1 -1 0.000000 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 0 -0.250000 -0.250000 -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 11.719200 11.719200 18.050100 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1_1 1.0000 0.250000 0.250000 0.078300 8i 2'.. 0.000000 0.000000 0.000000 0.00 2 Fe Fe1_2 1.0000 0.250000 0.750000 0.078300 8i 2'.. 0.000000 0.000000 0.000000 0.00 3 Fe Fe2_1 1.0000 0.005700 0.842900 0.000000 8j m'.. 0.000000 0.000000 0.000000 0.00 4 Fe Fe2_2 1.0000 0.342900 0.005700 0.000000 8j m'.. 0.000000 0.000000 0.000000 0.00 5 Fe Fe3 1.0000 0.250000 0.250000 0.250000 8i 2'.. 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Fe1_1 0.000000 2 Fe1_2 0.000000 3 Fe2_1 0.000000 4 Fe2_2 0.000000 5 Fe3 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.05 1.1 -0.05 1.1 0 1 0 0 0 0 0 SBOND 1 Fe O 0.00000 2.44693 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Fe1_1 1.2600 181 113 0 181 113 0 40 0 2 Fe1_2 1.2600 181 113 0 181 113 0 40 0 3 Fe2_1 1.2600 181 113 0 181 113 0 40 0 4 Fe2_2 1.2600 181 113 0 181 113 0 40 0 5 Fe3 1.2600 181 113 0 181 113 0 40 0 0 0 0 0 0 0 VECTR 1 0.45000 3.79000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 -3.79000 0.45000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 2.05000 2.62000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 2.62000 -2.05000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 -0.36000 -3.00000 0.00000 0 5 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 3 0.500 255 0 0 1 4 0.500 255 0 0 1 5 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 Fe 1.2600 181 113 0 181 113 0 40 0 0 0 0 0 0 SCENE 0.157433 -0.987457 0.012019 0.000000 0.146855 0.035445 0.988523 0.000000 -0.976549 -0.153861 0.150593 0.000000 0.000000 0.000000 0.000000 1.000000 0.084 0.021 0.000 1.230 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 0.393018 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 40 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