#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE Ru_PRB_magn_model_isodistort.mcif -- in P1.1 GROUP 1 1 P 1 SYMOP 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 0.000000 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 5.481300 5.901600 7.872800 90.000000 90.901100 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Nd Nd1_1_1 1.0000 0.483700 0.075000 0.253400 1a 1 0.000000 0.000000 0.000000 1.00 2 Nd Nd1_1_2 1.0000 0.016300 0.575000 0.246600 1a 1 0.000000 0.000000 0.000000 1.00 3 Nd Nd1_1_3 1.0000 0.516300 0.925000 0.746600 1a 1 0.000000 0.000000 0.000000 1.00 4 Nd Nd1_1_4 1.0000 0.983700 0.425000 0.753400 1a 1 0.000000 0.000000 0.000000 1.00 5 Na Na1_1_1 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 6 Na Na1_1_2 1.0000 0.500000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 7 Ru Ru1_1_1 1.0000 0.500000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 8 Ru Ru1_1_2 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 9 O O1_1_1 1.0000 0.209000 0.328000 0.051800 1a 1 0.000000 0.000000 0.000000 1.00 10 O O1_1_2 1.0000 0.291000 0.828000 0.448200 1a 1 0.000000 0.000000 0.000000 1.00 11 O O1_1_3 1.0000 0.791000 0.672000 0.948200 1a 1 0.000000 0.000000 0.000000 1.00 12 O O1_1_4 1.0000 0.709000 0.172000 0.551800 1a 1 0.000000 0.000000 0.000000 1.00 13 O O2_1_1 1.0000 0.614000 0.451200 0.229800 1a 1 0.000000 0.000000 0.000000 1.00 14 O O2_1_2 1.0000 0.886000 0.951200 0.270200 1a 1 0.000000 0.000000 0.000000 1.00 15 O O2_1_3 1.0000 0.386000 0.548800 0.770200 1a 1 0.000000 0.000000 0.000000 1.00 16 O O2_1_4 1.0000 0.114000 0.048800 0.729800 1a 1 0.000000 0.000000 0.000000 1.00 17 O O3_1_1 1.0000 0.331000 0.781000 0.066000 1a 1 0.000000 0.000000 0.000000 1.00 18 O O3_1_2 1.0000 0.169000 0.281000 0.434000 1a 1 0.000000 0.000000 0.000000 1.00 19 O O3_1_3 1.0000 0.669000 0.219000 0.934000 1a 1 0.000000 0.000000 0.000000 1.00 20 O O3_1_4 1.0000 0.831000 0.719000 0.566000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Nd1_1_1 1.000000 2 Nd1_1_2 1.000000 3 Nd1_1_3 1.000000 4 Nd1_1_4 1.000000 5 Na1_1_1 1.000000 6 Na1_1_2 1.000000 7 Ru1_1_1 1.000000 8 Ru1_1_2 1.000000 9 O1_1_1 1.000000 10 O1_1_2 1.000000 11 O1_1_3 1.000000 12 O1_1_4 1.000000 13 O2_1_1 1.000000 14 O2_1_2 1.000000 15 O2_1_3 1.000000 16 O2_1_4 1.000000 17 O3_1_1 1.000000 18 O3_1_2 1.000000 19 O3_1_3 1.000000 20 O3_1_4 1.000000 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 Na O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 2 Ru O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Nd1_1_1 1.8200 251 141 6 251 141 6 46 0 2 Nd1_1_2 1.8200 251 141 6 251 141 6 46 0 3 Nd1_1_3 1.8200 251 141 6 251 141 6 46 0 4 Nd1_1_4 1.8200 251 141 6 251 141 6 46 0 5 Na1_1_1 1.9100 249 220 60 249 220 60 46 0 6 Na1_1_2 1.9100 249 220 60 249 220 60 46 0 7 Ru1_1_1 1.3400 207 183 173 207 183 173 46 0 8 Ru1_1_2 1.3400 207 183 173 207 183 173 46 0 9 O1_1_1 0.3000 254 3 0 254 3 0 46 0 10 O1_1_2 0.3000 254 3 0 254 3 0 46 0 11 O1_1_3 0.3000 254 3 0 254 3 0 46 0 12 O1_1_4 0.3000 254 3 0 254 3 0 46 0 13 O2_1_1 0.3000 254 3 0 254 3 0 46 0 14 O2_1_2 0.3000 254 3 0 254 3 0 46 0 15 O2_1_3 0.3000 254 3 0 254 3 0 46 0 16 O2_1_4 0.3000 254 3 0 254 3 0 46 0 17 O3_1_1 0.3000 254 3 0 254 3 0 46 0 18 O3_1_2 0.3000 254 3 0 254 3 0 46 0 19 O3_1_3 0.3000 254 3 0 254 3 0 46 0 20 O3_1_4 0.3000 254 3 0 254 3 0 46 0 0 0 0 0 0 0 VECTR 1 -0.62215 -1.17225 0.33044 0 1 0 0 0 0 0 0 0 0 0 2 0.62215 -1.17225 -0.33044 0 2 0 0 0 0 0 0 0 0 0 3 -0.62215 -1.17225 0.33044 0 3 0 0 0 0 0 0 0 0 0 4 0.62215 -1.17225 -0.33044 0 4 0 0 0 0 0 0 0 0 0 5 0.83106 0.00000 0.64508 0 7 0 0 0 0 0 0 0 0 0 6 -0.83106 0.00000 -0.64508 0 8 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 6 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 0 0 0 0 0 0 SCENE -0.999742 -0.011869 0.019341 0.000000 -0.019160 -0.015163 -0.999701 0.000000 0.012159 -0.999815 0.014931 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 HBOND 0 2 STYLE DISPF 16479 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 BONDS 1 POLYS 2 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 1.000 180 180 180 POLYP 46 1 1.000 34 34 34 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 2.500 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 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