#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Na1 Mn2 O4" GROUP 9 41 C_ac PSPGR 62 1 P n a m SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.750000 0.250000 0.250000 -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 0.250000 0.250000 0.250000 -1 0 0 0 1 0 0 0 1 -1 0.500000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 1 0.250000 0.250000 0.750000 -1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.750000 0.250000 0.750000 -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 0.750000 0.750000 0.750000 -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 0.250000 0.750000 0.750000 -1 0 0 0 1 0 0 0 1 -1 0.500000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 1 0.250000 0.750000 0.250000 -1 0 0 0 1 0 0 0 1 1 0.500000 0.500000 0.500000 1 0 0 0 1 0 0 0 1 -1 0.750000 0.750000 0.250000 -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 1 -0.000000 -0.875000 -0.000000 0 1 0 -1 0 2 1 0 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 17.722000 22.393999 5.682000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Mn Mn1_1 1.0000 0.214200 0.304400 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 2 Mn Mn1_2 1.0000 0.785800 0.695600 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 3 Mn Mn2_1 1.0000 0.209650 0.047800 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 4 Mn Mn2_2 1.0000 0.790350 0.952200 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 5 Na Na1_1 1.0000 0.126400 0.417600 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 6 Na Na1_2 1.0000 0.873600 0.582400 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 7 O O1_1 1.0000 0.106500 0.073900 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 8 O O1_2 1.0000 0.893500 0.926100 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 9 O O2_1 1.0000 0.057550 0.240100 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 10 O O2_2 1.0000 0.942450 0.759900 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 11 O O3_1 1.0000 0.012750 0.347100 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 12 O O3_2 1.0000 0.987250 0.652900 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 13 O O4_1 1.0000 0.215550 0.206750 0.375000 16a 1 0.000000 0.000000 0.000000 0.00 14 O O4_2 1.0000 0.784450 0.793250 0.125000 16a 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Mn1_1 0.000000 2 Mn1_2 0.000000 3 Mn2_1 0.000000 4 Mn2_2 0.000000 5 Na1_1 0.000000 6 Na1_2 0.000000 7 O1_1 0.000000 8 O1_2 0.000000 9 O2_1 0.000000 10 O2_2 0.000000 11 O3_1 0.000000 12 O3_2 0.000000 13 O4_1 0.000000 14 O4_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 Mn O 0.00000 2.51652 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Mn1_1 1.3700 168 8 158 168 8 158 40 0 2 Mn1_2 1.3700 168 8 158 168 8 158 40 0 3 Mn2_1 1.3700 168 8 158 168 8 158 40 0 4 Mn2_2 1.3700 168 8 158 168 8 158 40 0 5 Na1_1 1.9100 249 220 60 249 220 60 40 0 6 Na1_2 1.9100 249 220 60 249 220 60 40 0 7 O1_1 0.7400 254 3 0 254 3 0 40 0 8 O1_2 0.7400 254 3 0 254 3 0 40 0 9 O2_1 0.7400 254 3 0 254 3 0 40 0 10 O2_2 0.7400 254 3 0 254 3 0 40 0 11 O3_1 0.7400 254 3 0 254 3 0 40 0 12 O3_2 0.7400 254 3 0 254 3 0 40 0 13 O4_1 0.7400 254 3 0 254 3 0 40 0 14 O4_2 0.7400 254 3 0 254 3 0 40 0 0 0 0 0 0 0 VECTR 1 0.00000 -2.60000 -0.40000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 2.60000 0.40000 0 2 0 0 0 0 0 0 0 0 0 3 0.00000 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 0.00000 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 3 0.500 255 0 0 1 4 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 Mn 1.3700 168 8 158 168 8 158 40 2 Na 1.9100 249 220 60 249 220 60 40 3 O 0.7400 254 3 0 254 3 0 40 0 0 0 0 0 0 SCENE 0.979575 0.009975 0.200829 0.000000 0.009873 0.995178 -0.097585 0.000000 -0.200834 0.097575 0.974754 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.094 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 0.570214 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 1.000 236 236 236 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