1544 Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
(Previous) 1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
(Back) Elements:
Sb 1
Na 1
F 6
(Z = 4)
(Periodic Table)
(Next) Aluminum antimonide (AlSb)
Unit Cell Parameters: a b c alpha beta gamma Volume Density Heat of Formation (Kcal/mol)
X-ray: 8.20 8.20 8.20 90.00 90.00 90.00 551.97 3.113 -401.7 calc'd using PM7
PM7: 8.43 8.42 8.43 90.13 90.15 90.25 597.87 2.874 -448.6 calc'd using PM7
PM6: 8.12 8.12 8.12 90.01 90.00 90.01 534.58 3.215 -488.9 calc'd using PM6
X-Ray PM7 PM6
For X-Ray structure, contact the ICSD: https://icsd.fiz-karlsruhe.de/search/index.xhtml/
Optimized PM7 data set:
MERS=(1,1,1) GNORM=4
Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
Sb 0.00762232 +1 -0.01754180 +1 -0.01167377 +1
Sb -5.80740159 +1 0.00820906 +1 0.00579895 +1
Sb -2.89430858 +1 -5.02563211 +1 0.00678148 +1
Sb -2.90538179 +1 -1.66917209 +1 -4.73909600 +1
Na -5.94055638 +1 -3.42927941 +1 -2.42840386 +1
Na 0.13850476 +1 -3.44811703 +1 -2.45216917 +1
Na -2.90606165 +1 1.85169233 +1 -2.42081299 +1
Na -2.89537688 +1 -1.67078719 +1 2.55188501 +1
F 0.03517922 +1 1.55972894 +1 1.11795297 +1
F 0.04100897 +1 -1.57407676 +1 -1.12152942 +1
F 1.38031248 +1 0.79147655 +1 -1.11656960 +1
F -1.34956587 +1 -0.79609964 +1 1.11104825 +1
F 1.37777544 +1 -0.79315074 +1 1.11420665 +1
F -1.35042473 +1 0.79466934 +1 -1.11397082 +1
F -5.83839774 +1 1.58695188 +1 1.13903520 +1
F -5.83604892 +1 -1.55789700 +1 -1.11689213 +1
F -4.45148359 +1 0.79952949 +1 -1.10938077 +1
F -7.18175788 +1 -0.78181339 +1 1.12336211 +1
F -4.44987683 +1 -0.79075046 +1 1.11677729 +1
F -7.17844448 +1 0.80180828 +1 -1.10810197 +1
F -2.89902654 +1 -3.45897373 +1 1.13047444 +1
F -2.89834868 +1 -6.60474784 +1 -1.11336226 +1
F -1.53725567 +1 -4.23652386 +1 -1.11027046 +1
F -4.26160680 +1 -5.82760709 +1 1.11918063 +1
F -1.53882043 +1 -5.84981648 +1 1.12100037 +1
F -4.25245684 +1 -4.23304494 +1 -1.10747811 +1
F -2.90234007 +1 -0.09618641 +1 -3.62341992 +1
F -2.90262706 +1 -3.24141010 +1 -5.86897990 +1
F -1.53884352 +1 -0.87973212 +1 -5.86191887 +1
F -4.26351017 +1 -2.46653284 +1 -3.62909708 +1
F -1.54816554 +1 -2.46891220 +1 -3.63083384 +1
F -4.24737890 +1 -0.88457081 +1 -5.86392605 +1
Tv 5.93111019 +1 3.45260888 +1 -4.89127785 +1
Tv 5.95504078 +1 -3.46897320 +1 4.83688001 +1
Tv 0.00254250 +1 6.86403056 +1 4.88679657 +1
Optimized PM6 data set:
PM6 MERS=(1,1,1) GNORM=4
Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
Sb -0.01491872 +1 -0.00789444 +1 -0.00633710 +1
Sb -5.78554075 +1 -0.00850036 +1 -0.00743141 +1
Sb -2.89486126 +1 -5.01129967 +1 -0.00797966 +1
Sb -2.90559682 +1 -1.67723217 +1 -4.72212469 +1
Na -5.75208447 +1 -3.32477355 +1 -2.34623485 +1
Na -0.04853295 +1 -3.31764808 +1 -2.35266600 +1
Na -2.90130562 +1 1.61190897 +1 -2.35085175 +1
Na -2.90128019 +1 -1.67762563 +1 2.30347758 +1
F -0.05385222 +1 1.54695760 +1 1.10761874 +1
F -0.02564169 +1 -1.55607785 +1 -1.13062684 +1
F 1.34058558 +1 0.77837093 +1 -1.10304922 +1
F -1.36450625 +1 -0.80378858 +1 1.09288286 +1
F 1.33906981 +1 -0.79098404 +1 1.09434570 +1
F -1.36738650 +1 0.77163940 +1 -1.11416683 +1
F -5.75188494 +1 1.54663994 +1 1.10574721 +1
F -5.76868047 +1 -1.56415641 +1 -1.12330837 +1
F -4.43347445 +1 0.77137874 +1 -1.11357475 +1
F -7.13866428 +1 -0.79248678 +1 1.09408194 +1
F -4.43715441 +1 -0.80280076 +1 1.09414158 +1
F -7.13983097 +1 0.77643232 +1 -1.10648330 +1
F -2.89965023 +1 -3.45508285 +1 1.10567905 +1
F -2.88200253 +1 -6.56857268 +1 -1.11858895 +1
F -1.55092694 +1 -4.19883451 +1 -1.09931755 +1
F -4.24121013 +1 -5.80201770 +1 1.09715349 +1
F -1.54441240 +1 -5.79659078 +1 1.09553996 +1
F -4.25018047 +1 -4.22164538 +1 -1.10320355 +1
F -2.90441697 +1 -0.11945175 +1 -3.61210494 +1
F -2.91201072 +1 -3.23807578 +1 -5.82869005 +1
F -1.55860423 +1 -0.89025022 +1 -5.82890406 +1
F -4.25599063 +1 -2.45639975 +1 -3.61324218 +1
F -1.54889666 +1 -2.46170034 +1 -3.62433485 +1
F -4.25400699 +1 -0.89166247 +1 -5.82770518 +1
Tv 5.73833767 +1 3.29577086 +1 -4.69976603 +1
Tv 5.73827147 +1 -3.29682933 +1 4.69637897 +1
Tv 0.00141347 +1 6.64432590 +1 4.66103601 +1