#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 0.46.CaBaCo4O7.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 6.261300 11.039900 10.164200 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 0.006600 0.672900 0.870800 1a 1 0.000000 0.000000 0.000000 1.00 2 Ca Ca1_2 1.0000 0.506600 0.827100 0.370800 1a 1 0.000000 0.000000 0.000000 1.00 3 Ca Ca1_3 1.0000 0.993400 0.327100 0.370800 1a 1 0.000000 0.000000 0.000000 1.00 4 Ca Ca1_4 1.0000 0.493400 0.172900 0.870800 1a 1 0.000000 0.000000 0.000000 1.00 5 Ba Ba1_1 1.0000 0.004300 0.665100 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 6 Ba Ba1_2 1.0000 0.504300 0.834900 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 7 Ba Ba1_3 1.0000 0.995700 0.334900 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 8 Ba Ba1_4 1.0000 0.495700 0.165100 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 9 Co Co1_1 1.0000 0.015500 0.000000 0.933200 1a 1 0.000000 0.000000 0.000000 1.00 10 Co Co1_2 1.0000 0.515500 0.500000 0.433200 1a 1 0.000000 0.000000 0.000000 1.00 11 Co Co1_3 1.0000 0.984500 0.000000 0.433200 1a 1 0.000000 0.000000 0.000000 1.00 12 Co Co1_4 1.0000 0.484500 0.500000 0.933200 1a 1 0.000000 0.000000 0.000000 1.00 13 Co Co2_1 1.0000 0.993300 0.168800 0.690200 1a 1 0.000000 0.000000 0.000000 1.00 14 Co Co2_2 1.0000 0.493300 0.331200 0.190200 1a 1 0.000000 0.000000 0.000000 1.00 15 Co Co2_3 1.0000 0.006700 0.831200 0.190200 1a 1 0.000000 0.000000 0.000000 1.00 16 Co Co2_4 1.0000 0.506700 0.668800 0.690200 1a 1 0.000000 0.000000 0.000000 1.00 17 Co Co3_1 1.0000 0.252700 0.095500 0.190400 1a 1 0.000000 0.000000 0.000000 1.00 18 Co Co3_2 1.0000 0.752700 0.404500 0.690400 1a 1 0.000000 0.000000 0.000000 1.00 19 Co Co3_3 1.0000 0.747300 0.904500 0.690400 1a 1 0.000000 0.000000 0.000000 1.00 20 Co Co3_4 1.0000 0.247300 0.595500 0.190400 1a 1 0.000000 0.000000 0.000000 1.00 21 Co Co4_1 1.0000 0.267300 0.920900 0.684100 1a 1 0.000000 0.000000 0.000000 1.00 22 Co Co4_2 1.0000 0.767300 0.579100 0.184100 1a 1 0.000000 0.000000 0.000000 1.00 23 Co Co4_3 1.0000 0.732700 0.079100 0.184100 1a 1 0.000000 0.000000 0.000000 1.00 24 Co Co4_4 1.0000 0.232700 0.420900 0.684100 1a 1 0.000000 0.000000 0.000000 1.00 25 O O1_1 1.0000 0.984500 0.004400 0.246000 1a 1 0.000000 0.000000 0.000000 1.00 26 O O1_2 1.0000 0.484500 0.495600 0.746000 1a 1 0.000000 0.000000 0.000000 1.00 27 O O1_3 1.0000 0.015500 0.995600 0.746000 1a 1 0.000000 0.000000 0.000000 1.00 28 O O1_4 1.0000 0.515500 0.504400 0.246000 1a 1 0.000000 0.000000 0.000000 1.00 29 O O2_1 1.0000 0.995500 0.491400 0.228500 1a 1 0.000000 0.000000 0.000000 1.00 30 O O2_2 1.0000 0.495500 0.008600 0.728500 1a 1 0.000000 0.000000 0.000000 1.00 31 O O2_3 1.0000 0.004500 0.508600 0.728500 1a 1 0.000000 0.000000 0.000000 1.00 32 O O2_4 1.0000 0.504500 0.991400 0.228500 1a 1 0.000000 0.000000 0.000000 1.00 33 O O3_1 1.0000 0.781700 0.261300 0.781500 1a 1 0.000000 0.000000 0.000000 1.00 34 O O3_2 1.0000 0.281700 0.238700 0.281500 1a 1 0.000000 0.000000 0.000000 1.00 35 O O3_3 1.0000 0.218300 0.738700 0.281500 1a 1 0.000000 0.000000 0.000000 1.00 36 O O3_4 1.0000 0.718300 0.761300 0.781500 1a 1 0.000000 0.000000 0.000000 1.00 37 O O4_1 1.0000 0.731900 0.741800 0.214100 1a 1 0.000000 0.000000 0.000000 1.00 38 O O4_2 1.0000 0.231900 0.758200 0.714100 1a 1 0.000000 0.000000 0.000000 1.00 39 O O4_3 1.0000 0.268100 0.258200 0.714100 1a 1 0.000000 0.000000 0.000000 1.00 40 O O4_4 1.0000 0.768100 0.241800 0.214100 1a 1 0.000000 0.000000 0.000000 1.00 41 O O5_1 1.0000 0.945100 0.152200 0.499700 1a 1 0.000000 0.000000 0.000000 1.00 42 O O5_2 1.0000 0.445100 0.347800 0.999700 1a 1 0.000000 0.000000 0.000000 1.00 43 O O5_3 1.0000 0.054900 0.847800 0.999700 1a 1 0.000000 0.000000 0.000000 1.00 44 O O5_4 1.0000 0.554900 0.652200 0.499700 1a 1 0.000000 0.000000 0.000000 1.00 45 O O6_1 1.0000 0.203500 0.109700 0.006200 1a 1 0.000000 0.000000 0.000000 1.00 46 O O6_2 1.0000 0.703500 0.390300 0.506200 1a 1 0.000000 0.000000 0.000000 1.00 47 O O6_3 1.0000 0.796500 0.890300 0.506200 1a 1 0.000000 0.000000 0.000000 1.00 48 O O6_4 1.0000 0.296500 0.609700 0.006200 1a 1 0.000000 0.000000 0.000000 1.00 49 O O7_1 1.0000 0.264500 0.947100 0.500200 1a 1 0.000000 0.000000 0.000000 1.00 50 O O7_2 1.0000 0.764500 0.552900 0.000200 1a 1 0.000000 0.000000 0.000000 1.00 51 O O7_3 1.0000 0.735500 0.052900 0.000200 1a 1 0.000000 0.000000 0.000000 1.00 52 O O7_4 1.0000 0.235500 0.447100 0.500200 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Ca1_1 1.000000 2 Ca1_2 1.000000 3 Ca1_3 1.000000 4 Ca1_4 1.000000 5 Ba1_1 1.000000 6 Ba1_2 1.000000 7 Ba1_3 1.000000 8 Ba1_4 1.000000 9 Co1_1 1.000000 10 Co1_2 1.000000 11 Co1_3 1.000000 12 Co1_4 1.000000 13 Co2_1 1.000000 14 Co2_2 1.000000 15 Co2_3 1.000000 16 Co2_4 1.000000 17 Co3_1 1.000000 18 Co3_2 1.000000 19 Co3_3 1.000000 20 Co3_4 1.000000 21 Co4_1 1.000000 22 Co4_2 1.000000 23 Co4_3 1.000000 24 Co4_4 1.000000 25 O1_1 1.000000 26 O1_2 1.000000 27 O1_3 1.000000 28 O1_4 1.000000 29 O2_1 1.000000 30 O2_2 1.000000 31 O2_3 1.000000 32 O2_4 1.000000 33 O3_1 1.000000 34 O3_2 1.000000 35 O3_3 1.000000 36 O3_4 1.000000 37 O4_1 1.000000 38 O4_2 1.000000 39 O4_3 1.000000 40 O4_4 1.000000 41 O5_1 1.000000 42 O5_2 1.000000 43 O5_3 1.000000 44 O5_4 1.000000 45 O6_1 1.000000 46 O6_2 1.000000 47 O6_3 1.000000 48 O6_4 1.000000 49 O7_1 1.000000 50 O7_2 1.000000 51 O7_3 1.000000 52 O7_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 Co O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Ca1_1 1.5000 90 150 189 90 150 189 46 0 2 Ca1_2 1.5000 90 150 189 90 150 189 46 0 3 Ca1_3 1.5000 90 150 189 90 150 189 46 0 4 Ca1_4 1.5000 90 150 189 90 150 189 46 0 5 Ba1_1 1.7000 30 239 44 30 239 44 46 0 6 Ba1_2 1.7000 30 239 44 30 239 44 46 0 7 Ba1_3 1.7000 30 239 44 30 239 44 46 0 8 Ba1_4 1.7000 30 239 44 30 239 44 46 0 9 Co1_1 1.2500 0 0 175 0 0 175 46 0 10 Co1_2 1.2500 0 0 175 0 0 175 46 0 11 Co1_3 1.2500 0 0 175 0 0 175 46 0 12 Co1_4 1.2500 0 0 175 0 0 175 46 0 13 Co2_1 1.2500 0 0 175 0 0 175 46 0 14 Co2_2 1.2500 0 0 175 0 0 175 46 0 15 Co2_3 1.2500 0 0 175 0 0 175 46 0 16 Co2_4 1.2500 0 0 175 0 0 175 46 0 17 Co3_1 1.2500 0 0 175 0 0 175 46 0 18 Co3_2 1.2500 0 0 175 0 0 175 46 0 19 Co3_3 1.2500 0 0 175 0 0 175 46 0 20 Co3_4 1.2500 0 0 175 0 0 175 46 0 21 Co4_1 1.2500 0 0 175 0 0 175 46 0 22 Co4_2 1.2500 0 0 175 0 0 175 46 0 23 Co4_3 1.2500 0 0 175 0 0 175 46 0 24 Co4_4 1.2500 0 0 175 0 0 175 46 0 25 O1_1 0.7400 254 3 0 254 3 0 46 0 26 O1_2 0.7400 254 3 0 254 3 0 46 0 27 O1_3 0.7400 254 3 0 254 3 0 46 0 28 O1_4 0.7400 254 3 0 254 3 0 46 0 29 O2_1 0.7400 254 3 0 254 3 0 46 0 30 O2_2 0.7400 254 3 0 254 3 0 46 0 31 O2_3 0.7400 254 3 0 254 3 0 46 0 32 O2_4 0.7400 254 3 0 254 3 0 46 0 33 O3_1 0.7400 254 3 0 254 3 0 46 0 34 O3_2 0.7400 254 3 0 254 3 0 46 0 35 O3_3 0.7400 254 3 0 254 3 0 46 0 36 O3_4 0.7400 254 3 0 254 3 0 46 0 37 O4_1 0.7400 254 3 0 254 3 0 46 0 38 O4_2 0.7400 254 3 0 254 3 0 46 0 39 O4_3 0.7400 254 3 0 254 3 0 46 0 40 O4_4 0.7400 254 3 0 254 3 0 46 0 41 O5_1 0.7400 254 3 0 254 3 0 46 0 42 O5_2 0.7400 254 3 0 254 3 0 46 0 43 O5_3 0.7400 254 3 0 254 3 0 46 0 44 O5_4 0.7400 254 3 0 254 3 0 46 0 45 O6_1 0.7400 254 3 0 254 3 0 46 0 46 O6_2 0.7400 254 3 0 254 3 0 46 0 47 O6_3 0.7400 254 3 0 254 3 0 46 0 48 O6_4 0.7400 254 3 0 254 3 0 46 0 49 O7_1 0.7400 254 3 0 254 3 0 46 0 50 O7_2 0.7400 254 3 0 254 3 0 46 0 51 O7_3 0.7400 254 3 0 254 3 0 46 0 52 O7_4 0.7400 254 3 0 254 3 0 46 0 0 0 0 0 0 0 VECTR 1 -0.98461 -1.21646 0.00000 0 9 0 0 0 0 0 0 0 0 0 2 0.98461 -1.21646 0.00000 0 10 0 0 0 0 0 0 0 0 0 3 -0.98461 -1.21646 0.00000 0 11 0 0 0 0 0 0 0 0 0 4 0.98461 -1.21646 0.00000 0 12 0 0 0 0 0 0 0 0 0 5 0.55861 0.97882 0.00000 0 13 0 0 0 0 0 0 0 0 0 6 -0.55861 0.97882 0.00000 0 14 0 0 0 0 0 0 0 0 0 7 0.55861 0.97882 0.00000 0 15 0 0 0 0 0 0 0 0 0 8 -0.55861 0.97882 0.00000 0 16 0 0 0 0 0 0 0 0 0 9 0.39803 1.06185 0.00000 0 17 0 0 0 0 0 0 0 0 0 10 -0.39803 1.06185 0.00000 0 18 0 0 0 0 0 0 0 0 0 11 0.39803 1.06185 0.00000 0 19 0 0 0 0 0 0 0 0 0 12 -0.39803 1.06185 0.00000 0 20 0 0 0 0 0 0 0 0 0 13 -0.02771 -1.34972 0.00000 0 21 0 0 0 0 0 0 0 0 0 14 0.02771 -1.34972 0.00000 0 22 0 0 0 0 0 0 0 0 0 15 -0.02771 -1.34972 0.00000 0 23 0 0 0 0 0 0 0 0 0 16 0.02771 -1.34972 0.00000 0 24 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 7 0.500 255 0 0 1 8 0.500 255 0 0 1 9 0.500 255 0 0 1 10 0.500 255 0 0 1 11 0.500 255 0 0 1 12 0.500 255 0 0 1 13 0.500 255 0 0 1 14 0.500 255 0 0 1 15 0.500 255 0 0 1 16 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 -0.305641 0.952138 -0.003990 0.000000 -0.172711 -0.051319 0.983635 0.000000 0.936352 0.301328 0.180130 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.210 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 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