structure opt. KC3P 1.4%F (Si24C4O43FH9)3 SI 33.3% C 5.7% O 59.6% F 1.4% (Si-F, H-Si)
1.0
14.38000000 0.00000000 0.00000000
0.00000000 14.38000000 0.00000000
0.00000000 0.00000000 14.38000000
Si O C F H
72 129 12 3 27
Direct
0.11248590 0.10250871 0.00598793 # 1 Si1
0.27957538 0.05597864 0.37735550 # 2 Si2
0.04961683 0.27342144 0.12803004 # 3 Si3
0.21420430 0.22621983 0.25492047 # 4 Si4
0.11475448 0.10630444 0.50274704 # 5 Si5
0.27977786 0.05940348 0.88002698 # 6 Si6
0.05128135 0.27314793 0.62897552 # 7 Si7
0.21869971 0.22805970 0.75570242 # 8 Si8
0.11538765 0.43790679 0.00226446 # 9 Si9
0.28097529 0.39027877 0.38011069 # 10 Si10
0.05383298 0.60496850 0.12708024 # 11 Si11
0.21720376 0.55850355 0.25581941 # 12 Si12
0.11397934 0.43858710 0.50765713 # 13 Si13
0.28069922 0.39325159 0.87858739 # 14 Si14
0.05081311 0.60776818 0.63190748 # 15 Si15
0.21965448 0.56516499 0.75587017 # 16 Si16
0.11908155 0.76812953 0.00356464 # 17 Si17
0.27735225 0.72703752 0.37699708 # 18 Si18
0.04812288 0.93632178 0.12709352 # 19 Si19
0.21122733 0.89093602 0.25422351 # 20 Si20
0.11146386 0.77396966 0.50553155 # 21 Si21
0.28398267 0.72856275 0.87808995 # 22 Si22
0.05013043 0.94314686 0.62893192 # 23 Si23
0.21695479 0.89574409 0.75493161 # 24 Si24
0.44528695 0.10125539 0.00560789 # 25 Si25
0.61743652 0.07317628 0.37654226 # 26 Si26
0.38325534 0.26854607 0.12856861 # 27 Si27
0.55357464 0.23730800 0.25196005 # 28 Si28
0.44490755 0.09720835 0.50517172 # 29 Si29
0.61483366 0.05665923 0.88180247 # 30 Si30
0.38704175 0.25497743 0.63282895 # 31 Si31
0.54784167 0.21573356 0.76466791 # 32 Si32
0.44457034 0.43355149 0.00479136 # 33 Si33
0.61302876 0.40111334 0.38112560 # 34 Si34
0.38447423 0.60315005 0.12777518 # 35 Si35
0.55433433 0.56644695 0.25531164 # 36 Si36
0.44857352 0.41790874 0.51193141 # 37 Si37
0.60672603 0.38068074 0.88247575 # 38 Si38
0.38435166 0.61674838 0.62562934 # 39 Si39
0.55476149 0.57895383 0.74707672 # 40 Si40
0.44916542 0.77198448 0.00309339 # 41 Si41
0.61363226 0.73413864 0.37628732 # 42 Si42
0.37871320 0.93422384 0.12823958 # 43 Si43
0.54779531 0.89222001 0.24264553 # 44 Si44
0.44756811 0.77736673 0.50159548 # 45 Si45
0.61581058 0.73348844 0.87670388 # 46 Si46
0.38500410 0.93565032 0.62862210 # 47 Si47
0.55260853 0.89467803 0.75663505 # 48 Si48
0.78007102 0.11031103 0.00450333 # 49 Si49
0.94528834 0.06849412 0.37651708 # 50 Si50
0.71578691 0.28057056 0.12333894 # 51 Si51
0.88189134 0.23657290 0.25156567 # 52 Si52
0.77852699 0.10986123 0.50824220 # 53 Si53
0.94574040 0.06989777 0.88187896 # 54 Si54
0.71376923 0.27092545 0.63695638 # 55 Si55
0.88484058 0.23059527 0.75734984 # 56 Si56
0.78005700 0.44330266 0.99745010 # 57 Si57
0.94479308 0.40033129 0.38163554 # 58 Si58
0.71867423 0.60911021 0.12295947 # 59 Si59
0.88254969 0.56776057 0.25268880 # 60 Si60
0.77701758 0.44057848 0.51122096 # 61 Si61
0.94682533 0.39481323 0.87630134 # 62 Si62
0.71709767 0.61388712 0.62896938 # 63 Si63
0.88189679 0.56017313 0.75623206 # 64 Si64
0.78728680 0.77188738 0.99658057 # 65 Si65
0.94253511 0.73506012 0.37671518 # 66 Si66
0.71482942 0.93882343 0.11875019 # 67 Si67
0.88161764 0.90033455 0.25108622 # 68 Si68
0.78041857 0.77666591 0.50382787 # 69 Si69
0.95580443 0.71261603 0.87643879 # 70 Si70
0.71853737 0.94105934 0.63159370 # 71 Si71
0.88424129 0.91177821 0.75941651 # 72 Si72
0.12571953 0.04097125 0.11904635 # 73 O1
0.03632389 0.20939417 0.01553869 # 74 O3
0.20432031 0.28523918 0.37082960 # 75 O4
0.26576378 0.30724103 0.16965051 # 76 O5
0.09544759 0.19284954 0.21710742 # 77 O6
0.23223840 0.14042508 0.46255030 # 78 O7
0.06139553 0.02590175 0.41638430 # 79 O8
0.12860146 0.04578682 0.61701368 # 80 O9
0.29266219 0.12031131 0.76625265 # 81 O10
0.04123485 0.21472446 0.51294119 # 82 O11
0.20366824 0.28865000 0.86897567 # 83 O12
0.27685879 0.30890585 0.67284438 # 84 O13
0.10163299 0.19078261 0.71330799 # 85 O14
0.22974446 0.14050441 0.96603292 # 86 O15
0.05861984 0.02132181 0.92127291 # 87 O16
0.12875807 0.37617240 0.11616227 # 88 O17
0.29238415 0.45125993 0.26499194 # 89 O18
0.04005765 0.54390354 0.01290978 # 90 O19
0.20517422 0.61845659 0.37106849 # 91 O20
0.26782539 0.64123940 0.16969312 # 92 O21
0.09975562 0.52259680 0.21533017 # 93 O22
0.23291402 0.47325346 0.46776087 # 94 O23
0.06064544 0.35721565 0.42206579 # 95 O24
0.12564287 0.37910142 0.62189559 # 96 O25
0.03890943 0.54580904 0.51752760 # 97 O27
0.20991032 0.62184066 0.87132781 # 98 O28
0.26858204 0.65145726 0.67255195 # 99 O29
0.10191340 0.52809351 0.71843658 # 100 O30
0.23201028 0.47568397 0.96396355 # 101 O31
0.06546536 0.35755526 0.91379715 # 102 O32
0.13283619 0.70808310 0.11729391 # 103 O33
0.28424456 0.78397819 0.26103731 # 104 O34
0.03868692 0.87236071 0.01243730 # 105 O35
0.20309744 0.95065086 0.37018213 # 106 O36
0.26064142 0.97124999 0.16629130 # 107 O37
0.09290412 0.85625076 0.21725927 # 108 O38
0.22837334 0.81037058 0.46360232 # 109 O39
0.12532208 0.71447774 0.62070220 # 110 O41
0.29173184 0.78826000 0.76255726 # 111 O42
0.03548916 0.88087341 0.51533464 # 112 O43
0.20479563 0.95382888 0.87002471 # 113 O44
0.26974450 0.97854029 0.67057066 # 114 O45
0.09854768 0.86062688 0.71551889 # 115 O46
0.23481177 0.80937357 0.96488443 # 116 O47
0.07395811 0.68197465 0.91728198 # 117 O48
0.45452082 0.04073561 0.12054063 # 118 O49
0.63934411 0.14100990 0.26822054 # 119 O50
0.37012704 0.20786103 0.01420974 # 120 O51
0.53419781 0.29972686 0.36303864 # 121 O52
0.59844354 0.31808668 0.16264557 # 122 O53
0.43956576 0.18865732 0.21298441 # 123 O54
0.39830415 0.01797778 0.41479925 # 124 O56
0.46524439 0.03453239 0.61547680 # 125 O57
0.62354843 0.11372136 0.76760430 # 126 O58
0.36097265 0.19057787 0.52472644 # 127 O59
0.54142651 0.26932499 0.88427370 # 128 O60
0.59542031 0.30337782 0.68107289 # 129 O61
0.43025593 0.17674274 0.72502053 # 130 O62
0.56322396 0.13822836 0.96780071 # 131 O63
0.39640100 0.02072118 0.91884204 # 132 O64
0.45700362 0.37431697 0.11836474 # 133 O65
0.63440416 0.46568230 0.27022321 # 134 O66
0.37065434 0.54159197 0.01356507 # 135 O67
0.53761026 0.62948072 0.36776940 # 136 O68
0.60195045 0.64742553 0.16561841 # 137 O69
0.55602396 0.47749870 0.46831473 # 138 O71
0.39823450 0.34780887 0.41671961 # 139 O72
0.47887670 0.34279917 0.61053324 # 140 O73
0.53514598 0.63511533 0.86074977 # 141 O76
0.60285084 0.66078119 0.66477078 # 142 O77
0.44275905 0.53020916 0.70214824 # 143 O78
0.56051715 0.46667548 0.96608597 # 144 O79
0.39516423 0.35272960 0.91891800 # 145 O80
0.46118716 0.70934276 0.11705395 # 146 O81
0.62624281 0.78957696 0.25945496 # 147 O82
0.36970574 0.87507731 0.01319823 # 148 O83
0.59128571 0.96402434 0.14506375 # 149 O85
0.42910787 0.85319361 0.21436997 # 150 O86
0.56319922 0.81823675 0.46093584 # 151 O87
0.46022906 0.72004679 0.61644986 # 152 O89
0.63128941 0.79437592 0.76479186 # 153 O90
0.36866527 0.87776565 0.51388851 # 154 O91
0.54118090 0.95001335 0.87311387 # 155 O92
0.60204921 0.97932244 0.67414031 # 156 O93
0.43564647 0.85344303 0.71480692 # 157 O94
0.56643560 0.81339490 0.96517330 # 158 O95
0.40233879 0.69204291 0.91452711 # 159 O96
0.78191324 0.05203550 0.12019057 # 160 O97
0.95940581 0.13119410 0.26316939 # 161 O98
0.86574773 0.29766997 0.36566956 # 162 O100
0.93379278 0.31673824 0.16565220 # 163 O101
0.76577081 0.19790233 0.20947778 # 164 O102
0.72957856 0.02977326 0.42189778 # 165 O104
0.79418399 0.04723954 0.62069817 # 166 O105
0.96509596 0.13202400 0.77101756 # 167 O106
0.70064669 0.21373786 0.52129213 # 168 O107
0.87084170 0.29168860 0.87048786 # 169 O108
0.93267193 0.31007212 0.66798304 # 170 O109
0.76940175 0.18752894 0.71888792 # 171 O110
0.90004189 0.14757213 0.97161489 # 172 O111
0.73424132 0.02552298 0.91835674 # 173 O112
0.79108453 0.38523455 0.11328386 # 174 O113
0.96227697 0.46503089 0.26932995 # 175 O114
0.70490279 0.55001742 0.00691817 # 176 O115
0.86230549 0.63271614 0.36353223 # 177 O116
0.76931221 0.52544932 0.20748002 # 178 O118
0.89530327 0.47887839 0.47172012 # 179 O119
0.72661834 0.35817093 0.42612468 # 180 O120
0.78689737 0.38080171 0.62784633 # 181 O121
0.70162277 0.54747468 0.51788629 # 182 O123
0.88166870 0.60959872 0.87538891 # 183 O124
0.93307038 0.64489506 0.67252775 # 184 O125
0.76027959 0.53286400 0.72108648 # 185 O
0.89819366 0.47956266 0.96026637 # 186 O127
0.73208824 0.35968445 0.90851726 # 187 O128
0.79596678 0.71498675 0.11326105 # 188 O129
0.96007941 0.79699612 0.26457908 # 189 O130
0.71827966 0.88274266 0.00111043 # 190 O131
0.86600640 0.96498336 0.36395596 # 191 O132
0.93117094 0.97789987 0.16208118 # 192 O133
0.89452326 0.81726018 0.46236933 # 193 O135
0.73028389 0.69542525 0.41695193 # 194 O136
0.79856364 0.71375887 0.61561998 # 195 O137
0.70259989 0.88059181 0.51761174 # 196 O139
0.85938297 0.97786847 0.86481340 # 197 O140
0.93476531 0.98749834 0.66896398 # 198 O141
0.77387453 0.86005858 0.71580284 # 199 O142
0.90603488 0.80302440 0.95387268 # 200 O143
0.73105668 0.68939038 0.91515198 # 201 O144
0.28772905 0.11542499 0.26017785 # 202 C6
0.29514501 0.45575482 0.76206678 # 203 C
0.05854110 0.69066905 0.41900554 # 204 C10
0.55853261 0.14957831 0.46558225 # 205 C1
0.43771248 0.52108848 0.21518062 # 206 C11
0.54439860 0.96861913 0.34843469 # 207 C12
0.39935928 0.69345957 0.41241493 # 208 C8
0.70558185 0.21963524 0.00702667 # 209 C2
0.89598173 0.15120448 0.46641715 # 210 C7
0.93587694 0.64870544 0.16454830 # 211 C3
0.95254488 0.45015756 0.75733031 # 212 C9
0.76382709 0.85805134 0.21022800 # 213 C5
0.64198848 0.48825832 0.75988015 # 214 F
0.36658947 0.56821312 0.51011087 # 215 F3
0.96389671 0.75416621 0.75642300 # 216 F2
0.26332812 0.06796176 0.20696791 # 217 H1
0.27491237 0.40907935 0.70634264 # 218 H3
0.04875607 0.62374853 0.45176143 # 219 H6
0.54533053 0.21747930 0.43526342 # 220 H10
0.44706033 0.45357373 0.18342810 # 221 H15
0.51856516 0.01716055 0.29623885 # 222 H21
0.39894597 0.62455915 0.44058158 # 223 H28
0.72918251 0.26623155 0.95267089 # 224 H36
0.88856747 0.21975757 0.43576115 # 225 H45
0.94339045 0.71734283 0.19495342 # 226 H55
0.92469922 0.40277084 0.70635327 # 227 H66
0.77084837 0.78900750 0.18136338 # 228 H78
0.35947322 0.13268734 0.24644770 # 229 H13
0.36741801 0.47489089 0.75319866 # 230 H27
0.10520599 0.68288901 0.36000060 # 231 H42
0.60409174 0.15753219 0.52542581 # 232 H58
0.39160254 0.51446917 0.27479384 # 233 H75
0.61135615 0.93492141 0.35914501 # 234 H93
0.44366771 0.69449019 0.35117704 # 235 H112
0.63415860 0.20185546 0.99469005 # 236 H132
0.94327863 0.15524630 0.52529622 # 237 H153
0.89067295 0.65310036 0.10396689 # 238 H175
0.02401134 0.46577370 0.74052244 # 239 H198
0.71659509 0.85572445 0.26923961 # 240 H222
0.59718677 0.41618704 0.79207748 # 241 H25
0.94833284 0.84179469 0.78239213 # 242 H26
0.38308589 0.48335417 0.54324310 # 243 H29