#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Ca1 Fe3 Ti4 O12" GROUP 148 17 R-3 PSPGR 204 1 I m -3 SYMOP 0.000000 0.000000 0.000000 1 0 0 -5.55112e-17 1 0 -1.11022e-16 -5.55112e-17 1 1 0.000000 0.000000 0.000000 -5.55112e-17 -5.55112e-17 1 1 0 0 -5.55112e-17 1 0 1 0.000000 0.000000 0.000000 -5.55112e-17 1 0 -5.55112e-17 -5.55112e-17 1 1 -1.85037e-17 3.70074e-17 1 0.000000 0.000000 0.000000 -1 0 0 5.55112e-17 -1 0 1.11022e-16 5.55112e-17 -1 1 0.000000 0.000000 0.000000 5.55112e-17 5.55112e-17 -1 -1 0 0 5.55112e-17 -1 0 1 0.000000 0.000000 0.000000 5.55112e-17 -1 0 5.55112e-17 5.55112e-17 -1 -1 1.85037e-17 -3.70074e-17 1 0.750000 0.750000 0.750000 1 0 0 -5.55112e-17 1 0 -1.11022e-16 -5.55112e-17 1 1 0.750000 0.750000 0.750000 -5.55112e-17 -5.55112e-17 1 1 0 0 -5.55112e-17 1 0 1 0.750000 0.750000 0.750000 -5.55112e-17 1 0 -5.55112e-17 -5.55112e-17 1 1 -1.85037e-17 3.70074e-17 1 0.750000 0.750000 0.750000 -1 0 0 5.55112e-17 -1 0 1.11022e-16 5.55112e-17 -1 1 0.750000 0.750000 0.750000 5.55112e-17 5.55112e-17 -1 -1 0 0 5.55112e-17 -1 0 1 0.750000 0.750000 0.750000 5.55112e-17 -1 0 5.55112e-17 5.55112e-17 -1 -1 1.85037e-17 -3.70074e-17 1 0.500000 0.500000 0.500000 1 0 0 -5.55112e-17 1 0 -1.11022e-16 -5.55112e-17 1 1 0.500000 0.500000 0.500000 -5.55112e-17 -5.55112e-17 1 1 0 0 -5.55112e-17 1 0 1 0.500000 0.500000 0.500000 -5.55112e-17 1 0 -5.55112e-17 -5.55112e-17 1 1 -1.85037e-17 3.70074e-17 1 0.500000 0.500000 0.500000 -1 0 0 5.55112e-17 -1 0 1.11022e-16 5.55112e-17 -1 1 0.500000 0.500000 0.500000 5.55112e-17 5.55112e-17 -1 -1 0 0 5.55112e-17 -1 0 1 0.500000 0.500000 0.500000 5.55112e-17 -1 0 5.55112e-17 5.55112e-17 -1 -1 1.85037e-17 -3.70074e-17 1 0.250000 0.250000 0.250000 1 0 0 -1.11022e-16 1 0 -2.22045e-16 -1.11022e-16 1 1 0.250000 0.250000 0.250000 -1.66533e-16 -1.11022e-16 1 1 0 0 -1.11022e-16 1 0 1 0.250000 0.250000 0.250000 -1.11022e-16 1 0 -1.66533e-16 -1.11022e-16 1 1 -1.85037e-17 3.70074e-17 1 0.250000 0.250000 0.250000 -1 0 0 1.11022e-16 -1 0 2.22045e-16 1.11022e-16 -1 1 0.250000 0.250000 0.250000 1.66533e-16 1.11022e-16 -1 -1 0 0 1.11022e-16 -1 0 1 0.250000 0.250000 0.250000 1.11022e-16 -1 0 1.66533e-16 1.11022e-16 -1 -1 1.85037e-17 -3.70074e-17 1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 3 -0.000000 -0.000000 -0.000000 0.666667 0.333333 1.33333 -0.333333 0.333333 1.33333 -0.333333 -0.666667 1.33333 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 14.885400 14.885400 14.885400 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ca Ca1_1 1.0000 0.750000 0.750000 0.750000 4a -3.. 0.000000 0.000000 0.000000 0.00 2 Ca Ca1_2 1.0000 0.250000 0.750000 0.250000 12e -1 0.000000 0.000000 0.000000 0.00 3 Fe Fe1_1 1.0000 0.250000 0.500000 0.500000 24f 1 0.000000 0.000000 0.000000 0.00 4 Fe Fe1_2 1.0000 0.750000 0.500000 0.000000 24f 1 0.000000 0.000000 0.000000 0.00 5 Ti Ti1_1 1.0000 0.625000 0.625000 0.625000 4b -3.. 0.000000 0.000000 0.000000 0.00 6 Ti Ti1_2 1.0000 0.125000 0.625000 0.125000 12d -1 0.000000 0.000000 0.000000 0.00 7 Ti Ti1_3 1.0000 0.875000 0.125000 0.125000 24f 1 0.000000 0.000000 0.000000 0.00 8 Ti Ti1_4 1.0000 0.375000 0.125000 0.625000 24f 1 0.000000 0.000000 0.000000 0.00 9 O O1_1 1.0000 0.000000 0.150500 0.095300 24f 1 0.000000 0.000000 0.000000 0.00 10 O O1_2 1.0000 0.000000 0.650500 0.595300 24f 1 0.000000 0.000000 0.000000 0.00 11 O O1_3 1.0000 0.500000 0.150500 0.595300 24f 1 0.000000 0.000000 0.000000 0.00 12 O O1_4 1.0000 0.500000 0.650500 0.095300 24f 1 0.000000 0.000000 0.000000 0.00 13 O O1_5 1.0000 0.000000 0.150500 -0.095300 24f 1 0.000000 0.000000 0.000000 0.00 14 O O1_6 1.0000 0.000000 0.650500 0.404700 24f 1 0.000000 0.000000 0.000000 0.00 15 O O1_7 1.0000 0.500000 0.150500 0.404700 24f 1 0.000000 0.000000 0.000000 0.00 16 O O1_8 1.0000 0.500000 0.650500 -0.095300 24f 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ca1_1 0.000000 2 Ca1_2 0.000000 3 Fe1_1 0.000000 4 Fe1_2 0.000000 5 Ti1_1 0.000000 6 Ti1_2 0.000000 7 Ti1_3 0.000000 8 Ti1_4 0.000000 9 O1_1 0.000000 10 O1_2 0.000000 11 O1_3 0.000000 12 O1_4 0.000000 13 O1_5 0.000000 14 O1_6 0.000000 15 O1_7 0.000000 16 O1_8 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 2 Ti O 0.00000 2.35391 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ca1_1 1.3000 90 150 189 90 150 189 80 0 2 Ca1_2 1.3000 90 150 189 90 150 189 80 0 3 Fe1_1 1.2600 181 113 0 181 113 0 80 0 4 Fe1_2 1.2600 181 113 0 181 113 0 80 0 5 Ti1_1 1.1000 152 255 240 120 202 255 80 0 6 Ti1_2 1.1000 152 255 240 120 202 255 80 0 7 Ti1_3 1.1000 152 255 240 120 202 255 80 0 8 Ti1_4 1.1000 152 255 240 120 202 255 80 0 9 O1_1 0.4000 254 3 0 254 3 0 80 0 10 O1_2 0.4000 254 3 0 254 3 0 80 0 11 O1_3 0.4000 254 3 0 254 3 0 80 0 12 O1_4 0.4000 254 3 0 254 3 0 80 0 13 O1_5 0.4000 254 3 0 254 3 0 80 0 14 O1_6 0.4000 254 3 0 254 3 0 80 0 15 O1_7 0.4000 254 3 0 254 3 0 80 0 16 O1_8 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 3.78000 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 2 -3.78000 0.00000 0.00000 0 4 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 Ca 1.3000 90 150 189 90 150 189 80 2 Fe 1.2600 181 113 0 181 113 0 80 3 Ti 1.1000 152 255 240 120 202 255 80 4 O 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 SCENE 0.706173 0.707887 -0.014696 0.000000 -0.258303 0.276892 0.925532 0.000000 0.659242 -0.649789 0.378383 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 0.396825 FORMP 1 1.0 50 50 50 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 80 1 1.000 246 246 246 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 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