#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Fe Nb2 O6" GROUP 19 28 P_c2_12_12_1 PSPGR 60 1 P b c n SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.250000 0.000000 1 0 0 0 -1 0 0 0 -1 1 0.500000 0.750000 0.500000 -1 0 0 0 -1 0 0 0 1 1 0.000000 0.500000 0.500000 -1 0 0 0 1 0 0 0 -1 1 0.000000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.500000 0.750000 0.000000 1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.250000 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 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -0.250000 0.250000 -0.125000 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 14.263000 11.463600 5.037800 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 0.000000 0.072800 0.250000 4a ..2' 0.000000 0.000000 0.000000 0.00 2 Fe Fe1_2 1.0000 0.000000 0.927200 0.750000 4b ..2' 0.000000 0.000000 0.000000 0.00 3 Nb Nb1_1 1.0000 0.156300 0.165550 0.768600 8c 1 0.000000 0.000000 0.000000 0.00 4 Nb Nb1_2 1.0000 0.843700 0.834450 0.231400 8c 1 0.000000 0.000000 0.000000 0.00 5 O O1_1 1.0000 0.091100 0.200400 0.418000 8c 1 0.000000 0.000000 0.000000 0.00 6 O O1_2 1.0000 0.908900 0.799600 0.582000 8c 1 0.000000 0.000000 0.000000 0.00 7 O O2_1 1.0000 0.070100 0.055550 0.916800 8c 1 0.000000 0.000000 0.000000 0.00 8 O O2_2 1.0000 0.929900 0.944450 0.083200 8c 1 0.000000 0.000000 0.000000 0.00 9 O O3_1 1.0000 0.259600 0.048450 0.575000 8c 1 0.000000 0.000000 0.000000 0.00 10 O O3_2 1.0000 0.740400 0.951550 0.425000 8c 1 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 Nb1_1 0.000000 4 Nb1_2 0.000000 5 O1_1 0.000000 6 O1_2 0.000000 7 O2_1 0.000000 8 O2_2 0.000000 9 O3_1 0.000000 10 O3_2 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 Nb O 0.00000 2.45329 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 Nb1_1 1.1000 76 178 118 76 178 118 40 0 4 Nb1_2 1.1000 76 178 118 76 178 118 40 0 5 O1_1 0.4000 254 3 0 254 3 0 40 0 6 O1_2 0.4000 254 3 0 254 3 0 40 0 7 O2_1 0.4000 254 3 0 254 3 0 40 0 8 O2_2 0.4000 254 3 0 254 3 0 40 0 9 O3_1 0.4000 254 3 0 254 3 0 40 0 10 O3_2 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 3.84000 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 3.84000 0.00000 0.00000 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 40 2 Nb 1.1000 76 178 118 76 178 118 40 3 O 0.4000 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE 0.978285 0.206013 -0.022723 0.000000 -0.024740 0.224918 0.974064 0.000000 0.205780 -0.952350 0.225130 0.000000 0.000000 0.000000 0.000000 1.000000 0.074 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 0.390625 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 1.000 244 244 244 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