#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Ca1 Fe2 O4" GROUP 62 445 Pnma' PSPGR 62 1 P n a m SYMOP 0.000000 0.000000 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 0.000000 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 0.000000 0.000000 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 0.000000 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 -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 0 -1 0 1 0 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 9.230000 10.705000 3.024000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1 1.0000 0.067000 0.110000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 2 Fe Fe2 1.0000 0.080000 0.608000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 3 Ca Ca1 1.0000 0.244000 0.346000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 4 O O1 1.0000 0.292000 0.662000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 5 O O2 1.0000 0.385000 0.977000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 6 O O3 1.0000 0.479000 0.216000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 7 O O4 1.0000 0.081000 0.924000 0.750000 4c .m. 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Fe1 0.000000 2 Fe2 0.000000 3 Ca1 0.000000 4 O1 0.000000 5 O2 0.000000 6 O3 0.000000 7 O4 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 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 1.2600 181 113 0 181 113 0 60 0 2 Fe2 1.2600 181 113 0 181 113 0 60 0 3 Ca1 1.4000 90 150 189 90 150 189 60 0 4 O1 0.4000 254 3 0 254 3 0 60 0 5 O2 0.4000 254 3 0 254 3 0 60 0 6 O3 0.4000 254 3 0 254 3 0 60 0 7 O4 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 4.26000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 4.26000 0 2 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 Fe 1.2600 181 113 0 181 113 0 60 2 Ca 1.4000 90 150 189 90 150 189 60 3 O 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 SCENE 0.017570 0.947258 -0.319989 0.000000 -0.980793 -0.045851 -0.189585 0.000000 -0.194258 0.317174 0.928259 0.000000 0.000000 0.000000 0.000000 1.000000 0.033 0.000 0.000 1.127 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 0.352113 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 1.000 239 239 239 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