#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 0.3.Ca3LiOsO6.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 9.257000 9.257000 10.763000 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Os Os1_1 1.0000 0.666667 0.333333 0.333333 1a 1 0.000000 0.000000 0.000000 1.00 2 Os Os1_2 1.0000 0.333333 0.666667 0.666667 1a 1 0.000000 0.000000 0.000000 1.00 3 Os Os1_3 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 4 Os Os1_4 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 5 Os Os1_5 1.0000 0.333333 0.666667 0.166667 1a 1 0.000000 0.000000 0.000000 1.00 6 Os Os1_6 1.0000 0.666667 0.333333 0.833333 1a 1 0.000000 0.000000 0.000000 1.00 7 Ca Ca1_1 1.0000 0.312667 0.333333 0.583333 1a 1 0.000000 0.000000 0.000000 1.00 8 Ca Ca1_2 1.0000 0.979333 0.666667 0.916667 1a 1 0.000000 0.000000 0.000000 1.00 9 Ca Ca1_3 1.0000 0.646000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 10 Ca Ca1_4 1.0000 0.354000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 11 Ca Ca1_5 1.0000 0.687333 0.666667 0.416667 1a 1 0.000000 0.000000 0.000000 1.00 12 Ca Ca1_6 1.0000 0.020667 0.333333 0.083333 1a 1 0.000000 0.000000 0.000000 1.00 13 Ca Ca2_1 1.0000 0.666667 0.979333 0.583333 1a 1 0.000000 0.000000 0.000000 1.00 14 Ca Ca2_2 1.0000 0.333333 0.312667 0.916667 1a 1 0.000000 0.000000 0.000000 1.00 15 Ca Ca2_3 1.0000 0.000000 0.646000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 16 Ca Ca2_4 1.0000 0.000000 0.354000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 17 Ca Ca2_5 1.0000 0.333333 0.020667 0.416667 1a 1 0.000000 0.000000 0.000000 1.00 18 Ca Ca2_6 1.0000 0.666667 0.687333 0.083333 1a 1 0.000000 0.000000 0.000000 1.00 19 Ca Ca2_7 1.0000 0.354000 0.354000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 20 Ca Ca2_8 1.0000 0.687333 0.020667 0.916667 1a 1 0.000000 0.000000 0.000000 1.00 21 Ca Ca2_9 1.0000 0.020667 0.687333 0.583333 1a 1 0.000000 0.000000 0.000000 1.00 22 Ca Ca2_10 1.0000 0.646000 0.646000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 23 Ca Ca2_11 1.0000 0.312667 0.979333 0.083333 1a 1 0.000000 0.000000 0.000000 1.00 24 Ca Ca2_12 1.0000 0.979333 0.312667 0.416667 1a 1 0.000000 0.000000 0.000000 1.00 25 O O1_1 1.0000 0.694767 0.177133 0.727533 1a 1 0.000000 0.000000 0.000000 1.00 26 O O1_2 1.0000 0.361433 0.510467 0.060867 1a 1 0.000000 0.000000 0.000000 1.00 27 O O1_3 1.0000 0.028100 0.843800 0.394200 1a 1 0.000000 0.000000 0.000000 1.00 28 O O1_4 1.0000 0.971900 0.156200 0.605800 1a 1 0.000000 0.000000 0.000000 1.00 29 O O1_5 1.0000 0.305233 0.822867 0.272467 1a 1 0.000000 0.000000 0.000000 1.00 30 O O1_6 1.0000 0.638567 0.489533 0.939133 1a 1 0.000000 0.000000 0.000000 1.00 31 O O1_7 1.0000 0.184300 0.156200 0.105800 1a 1 0.000000 0.000000 0.000000 1.00 32 O O1_8 1.0000 0.517633 0.822867 0.772467 1a 1 0.000000 0.000000 0.000000 1.00 33 O O1_9 1.0000 0.850967 0.489533 0.439133 1a 1 0.000000 0.000000 0.000000 1.00 34 O O1_10 1.0000 0.815700 0.843800 0.894200 1a 1 0.000000 0.000000 0.000000 1.00 35 O O1_11 1.0000 0.482367 0.177133 0.227533 1a 1 0.000000 0.000000 0.000000 1.00 36 O O1_12 1.0000 0.149033 0.510467 0.560867 1a 1 0.000000 0.000000 0.000000 1.00 37 O O2_1 1.0000 0.822867 0.517633 0.727533 1a 1 0.000000 0.000000 0.000000 1.00 38 O O2_2 1.0000 0.489533 0.850967 0.060867 1a 1 0.000000 0.000000 0.000000 1.00 39 O O2_3 1.0000 0.156200 0.184300 0.394200 1a 1 0.000000 0.000000 0.000000 1.00 40 O O2_4 1.0000 0.843800 0.815700 0.605800 1a 1 0.000000 0.000000 0.000000 1.00 41 O O2_5 1.0000 0.177133 0.482367 0.272467 1a 1 0.000000 0.000000 0.000000 1.00 42 O O2_6 1.0000 0.510467 0.149033 0.939133 1a 1 0.000000 0.000000 0.000000 1.00 43 O O2_7 1.0000 0.971900 0.815700 0.105800 1a 1 0.000000 0.000000 0.000000 1.00 44 O O2_8 1.0000 0.305233 0.482367 0.772467 1a 1 0.000000 0.000000 0.000000 1.00 45 O O2_9 1.0000 0.638567 0.149033 0.439133 1a 1 0.000000 0.000000 0.000000 1.00 46 O O2_10 1.0000 0.028100 0.184300 0.894200 1a 1 0.000000 0.000000 0.000000 1.00 47 O O2_11 1.0000 0.694767 0.517633 0.227533 1a 1 0.000000 0.000000 0.000000 1.00 48 O O2_12 1.0000 0.361433 0.850967 0.560867 1a 1 0.000000 0.000000 0.000000 1.00 49 O O3_1 1.0000 0.482367 0.305233 0.727533 1a 1 0.000000 0.000000 0.000000 1.00 50 O O3_2 1.0000 0.149033 0.638567 0.060867 1a 1 0.000000 0.000000 0.000000 1.00 51 O O3_3 1.0000 0.815700 0.971900 0.394200 1a 1 0.000000 0.000000 0.000000 1.00 52 O O3_4 1.0000 0.184300 0.028100 0.605800 1a 1 0.000000 0.000000 0.000000 1.00 53 O O3_5 1.0000 0.517633 0.694767 0.272467 1a 1 0.000000 0.000000 0.000000 1.00 54 O O3_6 1.0000 0.850967 0.361433 0.939133 1a 1 0.000000 0.000000 0.000000 1.00 55 O O3_7 1.0000 0.843800 0.028100 0.105800 1a 1 0.000000 0.000000 0.000000 1.00 56 O O3_8 1.0000 0.177133 0.694767 0.772467 1a 1 0.000000 0.000000 0.000000 1.00 57 O O3_9 1.0000 0.510467 0.361433 0.439133 1a 1 0.000000 0.000000 0.000000 1.00 58 O O3_10 1.0000 0.156200 0.971900 0.894200 1a 1 0.000000 0.000000 0.000000 1.00 59 O O3_11 1.0000 0.822867 0.305233 0.227533 1a 1 0.000000 0.000000 0.000000 1.00 60 O O3_12 1.0000 0.489533 0.638567 0.560867 1a 1 0.000000 0.000000 0.000000 1.00 61 Li Li1_1 1.0000 0.666667 0.333333 0.583333 1a 1 0.000000 0.000000 0.000000 1.00 62 Li Li1_2 1.0000 0.333333 0.666667 0.916667 1a 1 0.000000 0.000000 0.000000 1.00 63 Li Li1_3 1.0000 0.000000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 64 Li Li1_4 1.0000 0.000000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 65 Li Li1_5 1.0000 0.333333 0.666667 0.416667 1a 1 0.000000 0.000000 0.000000 1.00 66 Li Li1_6 1.0000 0.666667 0.333333 0.083333 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Os1_1 1.000000 2 Os1_2 1.000000 3 Os1_3 1.000000 4 Os1_4 1.000000 5 Os1_5 1.000000 6 Os1_6 1.000000 7 Ca1_1 1.000000 8 Ca1_2 1.000000 9 Ca1_3 1.000000 10 Ca1_4 1.000000 11 Ca1_5 1.000000 12 Ca1_6 1.000000 13 Ca2_1 1.000000 14 Ca2_2 1.000000 15 Ca2_3 1.000000 16 Ca2_4 1.000000 17 Ca2_5 1.000000 18 Ca2_6 1.000000 19 Ca2_7 1.000000 20 Ca2_8 1.000000 21 Ca2_9 1.000000 22 Ca2_10 1.000000 23 Ca2_11 1.000000 24 Ca2_12 1.000000 25 O1_1 1.000000 26 O1_2 1.000000 27 O1_3 1.000000 28 O1_4 1.000000 29 O1_5 1.000000 30 O1_6 1.000000 31 O1_7 1.000000 32 O1_8 1.000000 33 O1_9 1.000000 34 O1_10 1.000000 35 O1_11 1.000000 36 O1_12 1.000000 37 O2_1 1.000000 38 O2_2 1.000000 39 O2_3 1.000000 40 O2_4 1.000000 41 O2_5 1.000000 42 O2_6 1.000000 43 O2_7 1.000000 44 O2_8 1.000000 45 O2_9 1.000000 46 O2_10 1.000000 47 O2_11 1.000000 48 O2_12 1.000000 49 O3_1 1.000000 50 O3_2 1.000000 51 O3_3 1.000000 52 O3_4 1.000000 53 O3_5 1.000000 54 O3_6 1.000000 55 O3_7 1.000000 56 O3_8 1.000000 57 O3_9 1.000000 58 O3_10 1.000000 59 O3_11 1.000000 60 O3_12 1.000000 61 Li1_1 1.000000 62 Li1_2 1.000000 63 Li1_3 1.000000 64 Li1_4 1.000000 65 Li1_5 1.000000 66 Li1_6 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 Os O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Os1_1 1.3500 200 177 120 200 177 120 26 0 2 Os1_2 1.3500 200 177 120 200 177 120 26 0 3 Os1_3 1.3500 200 177 120 200 177 120 26 0 4 Os1_4 1.3500 200 177 120 200 177 120 26 0 5 Os1_5 1.3500 200 177 120 200 177 120 26 0 6 Os1_6 1.3500 200 177 120 200 177 120 26 0 7 Ca1_1 1.4000 90 150 189 90 150 189 26 0 8 Ca1_2 1.4000 90 150 189 90 150 189 26 0 9 Ca1_3 1.4000 90 150 189 90 150 189 26 0 10 Ca1_4 1.4000 90 150 189 90 150 189 26 0 11 Ca1_5 1.4000 90 150 189 90 150 189 26 0 12 Ca1_6 1.4000 90 150 189 90 150 189 26 0 13 Ca2_1 1.4000 90 150 189 90 150 189 26 0 14 Ca2_2 1.4000 90 150 189 90 150 189 26 0 15 Ca2_3 1.4000 90 150 189 90 150 189 26 0 16 Ca2_4 1.4000 90 150 189 90 150 189 26 0 17 Ca2_5 1.4000 90 150 189 90 150 189 26 0 18 Ca2_6 1.4000 90 150 189 90 150 189 26 0 19 Ca2_7 1.4000 90 150 189 90 150 189 26 0 20 Ca2_8 1.4000 90 150 189 90 150 189 26 0 21 Ca2_9 1.4000 90 150 189 90 150 189 26 0 22 Ca2_10 1.4000 90 150 189 90 150 189 26 0 23 Ca2_11 1.4000 90 150 189 90 150 189 26 0 24 Ca2_12 1.4000 90 150 189 90 150 189 26 0 25 O1_1 0.3000 254 3 0 254 3 0 26 0 26 O1_2 0.3000 254 3 0 254 3 0 26 0 27 O1_3 0.3000 254 3 0 254 3 0 26 0 28 O1_4 0.3000 254 3 0 254 3 0 26 0 29 O1_5 0.3000 254 3 0 254 3 0 26 0 30 O1_6 0.3000 254 3 0 254 3 0 26 0 31 O1_7 0.3000 254 3 0 254 3 0 26 0 32 O1_8 0.3000 254 3 0 254 3 0 26 0 33 O1_9 0.3000 254 3 0 254 3 0 26 0 34 O1_10 0.3000 254 3 0 254 3 0 26 0 35 O1_11 0.3000 254 3 0 254 3 0 26 0 36 O1_12 0.3000 254 3 0 254 3 0 26 0 37 O2_1 0.3000 254 3 0 254 3 0 26 0 38 O2_2 0.3000 254 3 0 254 3 0 26 0 39 O2_3 0.3000 254 3 0 254 3 0 26 0 40 O2_4 0.3000 254 3 0 254 3 0 26 0 41 O2_5 0.3000 254 3 0 254 3 0 26 0 42 O2_6 0.3000 254 3 0 254 3 0 26 0 43 O2_7 0.3000 254 3 0 254 3 0 26 0 44 O2_8 0.3000 254 3 0 254 3 0 26 0 45 O2_9 0.3000 254 3 0 254 3 0 26 0 46 O2_10 0.3000 254 3 0 254 3 0 26 0 47 O2_11 0.3000 254 3 0 254 3 0 26 0 48 O2_12 0.3000 254 3 0 254 3 0 26 0 49 O3_1 0.3000 254 3 0 254 3 0 26 0 50 O3_2 0.3000 254 3 0 254 3 0 26 0 51 O3_3 0.3000 254 3 0 254 3 0 26 0 52 O3_4 0.3000 254 3 0 254 3 0 26 0 53 O3_5 0.3000 254 3 0 254 3 0 26 0 54 O3_6 0.3000 254 3 0 254 3 0 26 0 55 O3_7 0.3000 254 3 0 254 3 0 26 0 56 O3_8 0.3000 254 3 0 254 3 0 26 0 57 O3_9 0.3000 254 3 0 254 3 0 26 0 58 O3_10 0.3000 254 3 0 254 3 0 26 0 59 O3_11 0.3000 254 3 0 254 3 0 26 0 60 O3_12 0.3000 254 3 0 254 3 0 26 0 61 Li1_1 1.5700 134 224 116 134 224 116 26 0 62 Li1_2 1.5700 134 224 116 134 224 116 26 0 63 Li1_3 1.5700 134 224 116 134 224 116 26 0 64 Li1_4 1.5700 134 224 116 134 224 116 26 0 65 Li1_5 1.5700 134 224 116 134 224 116 26 0 66 Li1_6 1.5700 134 224 116 134 224 116 26 0 0 0 0 0 0 0 VECTR 1 2.31400 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 2.31400 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 2.31400 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 -2.31400 0.00000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 -2.31400 0.00000 0.00000 0 5 0 0 0 0 0 0 0 0 0 6 -2.31400 0.00000 0.00000 0 6 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 0.783008 0.620218 -0.047199 0.000000 -0.057454 0.147674 0.987366 0.000000 0.619352 -0.770404 0.151264 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 26 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 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 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