1562 Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
(Previous) (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
(Back) Elements:
Rb 1
Sb 1
F 6
(Z = 3)
(Periodic Table)
(Next) Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
Unit Cell Parameters: a b c alpha beta gamma Volume Density Heat of Formation (Kcal/mol)
X-ray: 7.86 7.67 7.67 120.00 90.00 90.00 400.50 3.995 -338.0 calc'd using PM7
PM7: 10.33 7.67 8.18 116.36 81.72 91.86 574.60 2.785 -457.5 calc'd using PM7
PM6: 6.55 6.36 6.35 120.08 89.25 97.28 226.74 7.057 -626.2 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
Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
Rb 0.67651851 +1 -0.31625919 +1 0.42254466 +1
Rb -5.26461014 +1 0.02544367 +1 -5.63069682 +1
Rb -5.70497518 +1 0.31243761 +1 -0.35999358 +1
Sb -2.09367002 +1 2.50441727 +1 -2.74660270 +1
Sb -2.50220294 +1 -2.97837007 +1 -2.43963376 +1
Sb -2.97598310 +1 -2.50722009 +1 2.84337000 +1
F -1.53328244 +1 -1.72110526 +1 -3.55734298 +1
F -3.89642409 +1 -1.69968375 +1 -2.01000093 +1
F -3.63076346 +1 -3.51019917 +1 -3.91867502 +1
F -3.92468159 +1 -3.77891822 +1 3.96380914 +1
F -1.59806083 +1 -3.80465364 +1 2.42271229 +1
F -1.85774054 +1 -1.85460480 +1 4.29451098 +1
F -2.03987323 +1 -1.24852404 +1 1.70119586 +1
F -4.35476516 +1 -1.20686603 +1 3.29454782 +1
F -4.12591224 +1 -3.11632116 +1 1.39982821 +1
F -3.05762402 +1 1.22383456 +1 -1.65166107 +1
F -0.75556049 +1 1.19725349 +1 -3.28634218 +1
F -0.90633025 +1 3.00051853 +1 -1.28761599 +1
F -1.13803994 +1 3.81097114 +1 -3.81492330 +1
F -3.44211626 +1 3.81234641 +1 -2.23845378 +1
F -3.26882500 +1 1.91416492 +1 -4.17890883 +1
F -3.42177809 +1 -4.26490884 +1 -1.32065493 +1
F -1.13154668 +1 -4.29027428 +1 -2.89408623 +1
F -1.37890787 +1 -2.37995532 +1 -0.97635658 +1
Tv 5.41745941 +1 -5.97308820 +1 6.46000245 +1
Tv 0.08451112 +1 5.86324331 +1 4.95247142 +1
Tv 6.68632752 +1 -0.95614415 +1 -4.60754842 +1
Optimized PM6 data set:
PM6 MERS=(1,1,1) GNORM=4
Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
Rb -0.42950724 +1 -0.13324959 +1 -0.32142889 +1
Rb -4.22863356 +1 -0.47264367 +1 -4.01107068 +1
Rb -4.55648339 +1 0.14128495 +1 0.03759083 +1
Sb -2.17529165 +1 1.89037091 +1 -2.20541129 +1
Sb -2.74437515 +1 -2.57085060 +1 -1.95509554 +1
Sb -3.10394015 +1 -1.96590748 +1 2.10599313 +1
F -2.10699126 +1 -1.24569472 +1 -3.24802142 +1
F -4.35036032 +1 -1.44689004 +1 -1.75942545 +1
F -3.24982769 +1 -3.01242944 +1 -3.91759280 +1
F -3.63976178 +1 -3.79186786 +1 2.66300477 +1
F -1.39600621 +1 -3.00183095 +1 1.73334157 +1
F -1.89504716 +1 -1.66220986 +1 3.63262869 +1
F -2.44178924 +1 -0.61607135 +1 0.84408179 +1
F -4.67912818 +1 -0.79111514 +1 2.29842331 +1
F -3.58700966 +1 -2.38432550 +1 0.14114702 +1
F -2.72439360 +1 0.05334548 +1 -1.67798123 +1
F -0.49832263 +1 0.83014123 +1 -2.58004918 +1
F -0.96626168 +1 2.19483113 +1 -0.67606020 +1
F -1.51888417 +1 3.23409667 +1 -3.47360318 +1
F -3.75482825 +1 3.05343345 +1 -2.01156778 +1
F -2.66685260 +1 1.47525551 +1 -4.17739249 +1
F -3.30757813 +1 -4.38498645 +1 -1.39852394 +1
F -1.03314185 +1 -3.61106851 +1 -2.32223969 +1
F -1.55829367 +1 -2.27259936 +1 -0.41215924 +1
Tv 3.20320532 +1 -4.13756556 +1 3.94360702 +1
Tv 0.25484235 +1 5.09461340 +1 3.79935276 +1
Tv 4.46311055 +1 -0.89575916 +1 -4.42669497 +1