TITL klat0831 in P2(1)/c CELL .71073 23.5152 25.9620 24.3309 90.000 105.269 90.000 ZERR 8.00 .0047 .0053 .0051 .000 .005 .000 LATT 1 SYMM -X, .5+Y, .5-Z SFAC C H B N O F CR UNIT 576 624 8 16 8 192 8 TEMP -153 SIZE 0.04 0.08 0.18 L.S. 4 BOND FMAP 2 PLAN 20 MOLE 1 CR1 7 .4670 .5765 .7310 11.000000 0.05 Q5 1 .4807 .3303 .5851 11.000000 0.05 66.21 Q9 1 .0187 .3290 .4967 11.000000 0.05 59.97 Q11 1 .4093 .6596 .6362 11.000000 0.05 59.20 Q15 1 .4311 .6125 .6444 11.000000 0.05 57.62 Q20 1 .2879 .2343 .3785 11.000000 0.05 53.46 Q22 1 .1415 .3219 .2520 11.000000 0.05 52.65 Q23 1 .1908 .4831 .5852 11.000000 0.05 52.56 Q25 1 .1667 .5514 .5285 11.000000 0.05 51.91 Q26 1 .1902 .2977 .2563 11.000000 0.05 51.71 Q28 1 .4604 .5267 .7111 11.000000 0.05 51.42 Q29 1 .2463 .2703 .3796 11.000000 0.05 50.70 Q30 1 .2492 .3047 .4268 11.000000 0.05 50.09 Q34 1 .0932 .4508 .5729 11.000000 0.05 49.89 Q35 1 .4437 .5978 .5560 11.000000 0.05 49.51 Q40 1 .2424 .4162 .4200 11.000000 0.05 48.25 Q42 1 -.0161 .2495 .4765 11.000000 0.05 47.91 Q46 1 .3836 .1807 .2949 11.000000 0.05 47.16 Q47 1 .3848 .1603 .4794 11.000000 0.05 47.14 Q48 1 .1761 .3318 .3162 11.000000 0.05 47.00 Q49 1 .3603 .1665 .2353 11.000000 0.05 46.55 Q54 1 .3337 .1892 .3756 11.000000 0.05 44.92 Q56 1 .3189 .1476 .3394 11.000000 0.05 44.46 Q57 1 .1479 .5143 .6077 11.000000 0.05 44.42 Q58 1 .2888 .2560 .4249 11.000000 0.05 44.38 Q60 1 .3480 .2504 .2729 11.000000 0.05 44.32 Q61 1 .2851 .1928 .1940 11.000000 0.05 44.30 Q62 1 .3492 .6763 .6016 11.000000 0.05 44.24 Q63 1 .2978 .1801 .2617 11.000000 0.05 43.66 Q64 1 .5274 .5330 .7564 11.000000 0.05 42.92 Q65 1 .2202 .2795 .2791 11.000000 0.05 42.84 Q68 1 .0153 .3177 .1438 11.000000 0.05 42.30 Q69 1 .1549 .3900 .0961 11.000000 0.05 42.22 Q71 1 .1647 .3375 .1120 11.000000 0.05 41.84 Q73 1 .3590 .3322 .5280 11.000000 0.05 41.65 Q76 1 .1322 .3649 .0331 11.000000 0.05 41.22 Q77 1 .4102 .4731 .6933 11.000000 0.05 40.87 Q79 1 .5290 .3211 .6773 11.000000 0.05 40.69 Q81 1 .3966 .6650 .8195 11.000000 0.05 40.26 Q82 1 .3730 .2985 .5888 11.000000 0.05 40.12 Q85 1 .0891 .2521 .5134 11.000000 0.05 39.72 Q86 1 .0318 .2780 .4308 11.000000 0.05 39.61 Q87 1 .3525 .5026 .5069 11.000000 0.05 39.54 Q88 1 .2910 .4765 .4278 11.000000 0.05 39.51 Q89 1 .0788 .2828 .4810 11.000000 0.05 39.41 Q90 1 .4933 .6612 .7839 11.000000 0.05 39.35 Q91 1 .3912 .5847 .5877 11.000000 0.05 39.29 Q92 1 .1187 .3136 .4657 11.000000 0.05 39.29 Q95 1 .2561 .5236 .4666 11.000000 0.05 38.82 Q96 1 .3953 .3433 .6343 11.000000 0.05 38.15 Q97 1 .5200 .7460 .7299 11.000000 0.05 37.99 Q98 1 .1898 .4707 .4862 11.000000 0.05 37.90 Q100 1 .3408 .1642 .4293 11.000000 0.05 37.54 Q102 1 .3842 .4565 .6355 11.000000 0.05 37.45 Q103 1 .2421 .4728 .4151 11.000000 0.05 37.41 Q106 1 .1865 .3035 .4872 11.000000 0.05 37.21 Q109 1 .3948 .5784 .7768 11.000000 0.05 36.88 Q115 1 .4278 .5842 .6212 11.000000 0.05 35.45 Q117 1 .2225 .2966 .3194 11.000000 0.05 35.36 Q119 1 .3973 .3391 .5759 11.000000 0.05 35.11 Q120 1 .4761 .3001 .6373 11.000000 0.05 35.01 Q123 1 .4275 .2525 .3421 11.000000 0.05 34.78 Q125 1 .4780 .5195 .7678 11.000000 0.05 34.39 Q126 1 .3109 .3077 .5840 11.000000 0.05 34.01 Q127 1 .3220 .4891 .4022 11.000000 0.05 33.74 Q128 1 .3598 .6421 .7761 11.000000 0.05 33.72 Q133 1 .1376 .4554 .5513 11.000000 0.05 33.37 Q134 1 .2580 .3209 .5370 11.000000 0.05 33.36 Q136 1 .4863 .4399 .6390 11.000000 0.05 33.09 Q138 1 .3489 .1970 .2561 11.000000 0.05 32.49 Q140 1 .2680 .3035 .4795 11.000000 0.05 32.32 Q142 1 .3880 .1938 .3543 11.000000 0.05 32.29 Q143 1 .3345 .3383 .6319 11.000000 0.05 32.22 Q144 1 .2178 .3484 .2419 11.000000 0.05 32.12 Q147 1 .4363 .7390 .7708 11.000000 0.05 31.83 Q151 1 .2185 .3680 .1436 11.000000 0.05 31.57 Q152 1 .4196 .4398 .6137 11.000000 0.05 31.50 Q153 1 .3395 .4319 .6004 11.000000 0.05 31.42 Q154 1 .1176 .5057 .5419 11.000000 0.05 31.22 Q164 1 .3146 .1365 .4821 11.000000 0.05 30.59 Q169 1 .2317 .3157 .3613 11.000000 0.05 30.21 Q172 1 .5429 .2729 .6090 11.000000 0.05 30.02 Q173 1 .0320 .2773 .4880 11.000000 0.05 29.77 Q174 1 .2877 .5035 .4889 11.000000 0.05 29.73 Q178 1 .5805 .6785 .7556 11.000000 0.05 29.51 Q179 1 .1450 .2819 .5251 11.000000 0.05 29.46 Q180 1 .2974 .3239 .5245 11.000000 0.05 29.32 Q181 1 .0827 .3228 .2014 11.000000 0.05 29.25 Q184 1 .3518 .4936 .7178 11.000000 0.05 28.69 Q189 1 .4972 .5149 .8064 11.000000 0.05 28.41 Q190 1 .6089 .5413 .8007 11.000000 0.05 28.38 Q191 1 .4922 .6280 .7230 11.000000 0.05 28.20 Q192 1 .1861 .2706 .2110 11.000000 0.05 28.17 Q197 1 .2585 .5430 .3792 11.000000 0.05 27.53 Q198 1 .5456 .6893 .7575 11.000000 0.05 27.23 Q202 1 .4591 .5812 .7890 11.000000 0.05 27.03 Q210 1 .5081 .2569 .6312 11.000000 0.05 26.64 Q213 1 .3932 .7199 .7632 11.000000 0.05 26.38 Q217 1 .1205 .3272 .1698 11.000000 0.05 26.11 Q218 1 .1612 .3372 .1621 11.000000 0.05 26.09 Q222 1 .0627 .2911 .5280 11.000000 0.05 26.00 Q226 1 .2008 .2765 .5507 11.000000 0.05 25.72 Q227 1 .1553 .2099 .5005 11.000000 0.05 25.71 Q229 1 .2246 .4992 .4535 11.000000 0.05 25.24 Q232 1 .3017 .1260 .3843 11.000000 0.05 25.20 Q233 1 .4683 .3547 .5282 11.000000 0.05 25.19 Q238 1 .3201 .4835 .5573 11.000000 0.05 25.06 Q239 1 .1646 .5005 .5309 11.000000 0.05 25.05 Q243 1 .4597 .6531 .6221 11.000000 0.05 24.92 Q246 1 .2579 .4680 .5174 11.000000 0.05 24.84 Q247 1 .2819 .4130 .3659 11.000000 0.05 24.84 Q253 1 .4939 .3854 .6085 11.000000 0.05 24.66 Q254 1 .5724 .6626 .8061 11.000000 0.05 24.60 MOLE 2 Q1 1 .0310 .4171 .8045 11.000000 0.05 153.08 Q2 1 .0409 .4460 .7446 11.000000 0.05 101.92 Q3 1 -.0035 .3905 .7349 11.000000 0.05 68.80 Q4 1 -.1284 .1688 .7683 11.000000 0.05 66.72 Q6 1 -.2088 .1827 .7281 11.000000 0.05 62.68 Q8 1 -.3383 .3263 .6453 11.000000 0.05 60.79 Q13 1 -.3081 .2118 .5136 11.000000 0.05 58.38 Q14 1 -.3365 .3338 .5860 11.000000 0.05 57.97 Q17 1 -.2610 .1211 .5003 11.000000 0.05 57.08 Q18 1 -.2012 .2796 .4021 11.000000 0.05 54.05 Q21 1 -.3035 .2614 .5501 11.000000 0.05 53.33 Q24 1 -.2620 .1467 .2785 11.000000 0.05 52.25 Q31 1 -.3724 .3664 .5710 11.000000 0.05 50.08 Q32 1 -.2412 .2066 .4485 11.000000 0.05 50.04 Q33 1 -.1958 .3666 .3693 11.000000 0.05 50.03 Q37 1 -.3510 .1757 .2886 11.000000 0.05 48.79 Q38 1 -.2789 .3509 .5941 11.000000 0.05 48.77 Q39 1 -.2078 .0194 .3882 11.000000 0.05 48.71 Q43 1 -.1609 .2482 .7414 11.000000 0.05 47.77 Q44 1 -.1583 -.0038 .4692 11.000000 0.05 47.61 Q45 1 -.1117 .3734 .6224 11.000000 0.05 47.57 Q50 1 -.0703 -.1194 .6113 11.000000 0.05 46.34 Q51 1 -.2414 -.0441 .4266 11.000000 0.05 45.97 Q52 1 -.2112 .2536 .4534 11.000000 0.05 45.91 Q53 1 -.2015 .1740 .6227 11.000000 0.05 45.48 Q55 1 -.1766 .0605 .4274 11.000000 0.05 44.85 Q59 1 -.1386 .1990 .6660 11.000000 0.05 44.35 Q66 1 .0122 .6061 .8643 11.000000 0.05 42.80 Q67 1 -.4073 .2598 .5259 11.000000 0.05 42.40 Q70 1 .0002 .5318 .8510 11.000000 0.05 42.15 Q75 1 -.1488 .3338 .4564 11.000000 0.05 41.24 Q78 1 -.0311 .1971 .7885 11.000000 0.05 40.70 Q83 1 -.2408 .2632 .3435 11.000000 0.05 39.91 Q93 1 -.1672 .3071 .4016 11.000000 0.05 39.10 Q94 1 .0163 .4865 .7664 11.000000 0.05 38.93 Q101 1 -.0279 .5013 .7078 11.000000 0.05 37.48 Q104 1 -.0410 .2979 .7706 11.000000 0.05 37.37 Q105 1 -.1482 .3196 .5839 11.000000 0.05 37.24 Q108 1 -.1974 .1712 .5585 11.000000 0.05 36.93 Q111 1 -.1294 .0524 .6014 11.000000 0.05 36.33 Q113 1 .0422 .5133 .8201 11.000000 0.05 35.61 Q114 1 -.0289 .4377 .8266 11.000000 0.05 35.51 Q118 1 -.3442 .2933 .5538 11.000000 0.05 35.15 Q122 1 -.2948 .0796 .5359 11.000000 0.05 34.83 Q124 1 -.1169 .3077 .3882 11.000000 0.05 34.63 Q132 1 -.1374 .3541 .7195 11.000000 0.05 33.39 Q135 1 -.2537 .1676 .5135 11.000000 0.05 33.25 Q137 1 -.0299 .4590 .6700 11.000000 0.05 32.53 Q139 1 -.2522 .0471 .4683 11.000000 0.05 32.42 Q148 1 -.0449 .2002 .7105 11.000000 0.05 31.77 Q150 1 -.2175 .1615 .7870 11.000000 0.05 31.70 Q155 1 -.2870 .1931 .3923 11.000000 0.05 31.15 Q157 1 -.0493 .4104 .8820 11.000000 0.05 31.14 Q158 1 .0384 .2823 .8096 11.000000 0.05 30.97 Q159 1 .0314 .5505 .6495 11.000000 0.05 30.88 Q165 1 -.1098 .4172 .7228 11.000000 0.05 30.41 Q170 1 .0264 .2187 .7844 11.000000 0.05 30.06 Q175 1 -.2750 .2083 .3398 11.000000 0.05 29.70 Q176 1 -.2426 .0436 .3551 11.000000 0.05 29.66 Q182 1 -.2355 .0924 .4582 11.000000 0.05 29.22 Q187 1 -.1556 .3537 .6467 11.000000 0.05 28.44 Q188 1 -.2771 .1955 .2822 11.000000 0.05 28.43 Q193 1 -.0157 .5103 .6309 11.000000 0.05 28.09 Q194 1 .0564 .3004 .7470 11.000000 0.05 27.98 Q195 1 -.0680 .3730 .7415 11.000000 0.05 27.79 Q196 1 .0020 .3381 .7452 11.000000 0.05 27.63 Q199 1 -.2660 .3181 .6796 11.000000 0.05 27.13 Q201 1 -.0518 .4685 .9119 11.000000 0.05 27.08 Q203 1 -.2387 .1383 .4465 11.000000 0.05 27.02 Q204 1 .0676 .3724 .7895 11.000000 0.05 26.90 Q205 1 -.0696 -.0824 .5744 11.000000 0.05 26.85 Q206 1 -.1747 .1713 .6615 11.000000 0.05 26.82 Q209 1 -.1297 -.0120 .5282 11.000000 0.05 26.65 Q211 1 -.3538 .0334 .3823 11.000000 0.05 26.54 Q214 1 -.1507 .3910 .6377 11.000000 0.05 26.38 Q215 1 -.2118 .3721 .4294 11.000000 0.05 26.34 Q216 1 -.2912 .0075 .4901 11.000000 0.05 26.23 Q221 1 -.0814 -.0337 .5608 11.000000 0.05 26.00 Q228 1 -.0408 .5981 .8098 11.000000 0.05 25.45 Q230 1 -.2075 .1110 .4239 11.000000 0.05 25.22 Q234 1 -.1068 .3401 .7668 11.000000 0.05 25.19 Q237 1 -.0623 .1531 .7767 11.000000 0.05 25.08 Q240 1 -.0682 .0561 .5741 11.000000 0.05 25.01 Q242 1 -.2184 .1311 .3776 11.000000 0.05 24.92 Q244 1 -.4131 .3597 .6379 11.000000 0.05 24.92 Q245 1 -.2840 .0232 .4287 11.000000 0.05 24.90 Q248 1 -.1631 .3136 .7555 11.000000 0.05 24.80 Q251 1 -.1033 .0260 .5148 11.000000 0.05 24.75 MOLE 3 Q7 1 .4787 .6960 .0116 11.000000 0.05 61.79 Q12 1 .4876 .6761 .0383 11.000000 0.05 59.15 Q19 1 .4988 .6616 -.0290 11.000000 0.05 53.54 Q41 1 .4770 .7120 .1094 11.000000 0.05 48.13 Q110 1 .5144 .7421 .0239 11.000000 0.05 36.82 Q116 1 .6160 .5459 -.0101 11.000000 0.05 35.44 Q129 1 .6204 .6121 -.0794 11.000000 0.05 33.72 Q149 1 .5382 .6031 -.0475 11.000000 0.05 31.70 Q163 1 .5066 .7741 .0705 11.000000 0.05 30.67 Q183 1 .5582 .6218 -.0936 11.000000 0.05 28.83 Q208 1 .6520 .6396 -.0946 11.000000 0.05 26.76 Q220 1 .5262 .8397 .0755 11.000000 0.05 26.01 Q225 1 .5147 .7203 -.0256 11.000000 0.05 25.75 Q231 1 .5774 .5482 -.0498 11.000000 0.05 25.20 MOLE 4 Q10 1 .4217 .4560 .3136 11.000000 0.05 59.70 Q36 1 .4265 .5233 .2818 11.000000 0.05 49.07 Q185 1 .3633 .4611 .2996 11.000000 0.05 28.62 Q223 1 .3468 .4141 .2936 11.000000 0.05 25.95 MOLE 5 Q16 1 -.0030 .2502 .5877 11.000000 0.05 57.26 Q99 1 -.0518 .3017 .6220 11.000000 0.05 37.84 Q249 1 -.0169 .2893 .5992 11.000000 0.05 24.78 MOLE 6 Q27 1 .0175 .6671 .9541 11.000000 0.05 51.64 MOLE 7 Q72 1 .3028 .3918 .6916 11.000000 0.05 41.77 MOLE 8 Q74 1 .4878 .4027 .7973 11.000000 0.05 41.63 Q200 1 .4742 .3355 .8187 11.000000 0.05 27.11 MOLE 9 Q80 1 .0828 .7007 .8984 11.000000 0.05 40.41 Q255 1 .1031 .6558 .8919 11.000000 0.05 24.59 MOLE 10 Q84 1 .0776 .4377 .3535 11.000000 0.05 39.85 MOLE 11 Q107 1 .3618 .6297 .0941 11.000000 0.05 37.20 Q121 1 .4214 .6025 .1242 11.000000 0.05 34.90 MOLE 12 Q112 1 .0651 .5804 .4393 11.000000 0.05 36.04 Q160 1 .0748 .6300 .4720 11.000000 0.05 30.87 Q168 1 .0362 .6217 .4191 11.000000 0.05 30.30 Q171 1 .0227 .5366 .4609 11.000000 0.05 30.06 MOLE 13 Q130 1 .4163 .4159 .8318 11.000000 0.05 33.56 MOLE 14 Q131 1 .1088 .4174 .7052 11.000000 0.05 33.51 MOLE 15 Q141 1 .3279 .5516 .8772 11.000000 0.05 32.30 MOLE 16 Q145 1 .2154 .3953 .5758 11.000000 0.05 32.07 MOLE 17 Q146 1 .1137 .4351 .1691 11.000000 0.05 31.92 MOLE 18 Q156 1 .0402 .3430 .9733 11.000000 0.05 31.15 MOLE 19 Q161 1 .0470 .6523 .6276 11.000000 0.05 30.85 MOLE 20 Q162 1 .3458 .4807 .9296 11.000000 0.05 30.80 Q177 1 .3920 .5064 .9458 11.000000 0.05 29.63 MOLE 21 Q166 1 .2243 .3885 .7629 11.000000 0.05 30.35 Q167 1 .2070 .4326 .7833 11.000000 0.05 30.31 MOLE 22 Q186 1 .2233 .3545 .0508 11.000000 0.05 28.52 MOLE 23 Q207 1 .2216 .3023 .8030 11.000000 0.05 26.78 MOLE 24 Q212 1 .4424 .5133 .5055 11.000000 0.05 26.42 MOLE 25 Q219 1 .4585 .5217 .0882 11.000000 0.05 26.07 MOLE 26 Q224 1 .1683 .4456 .6575 11.000000 0.05 25.88 MOLE 27 Q235 1 .4045 .3397 .3405 11.000000 0.05 25.17 MOLE 28 Q236 1 .2195 .5260 .9268 11.000000 0.05 25.09 MOLE 29 Q241 1 .1727 .4124 .9127 11.000000 0.05 24.96 MOLE 30 Q250 1 .2322 .4884 .3159 11.000000 0.05 24.77 MOLE 31 Q252 1 .1692 .5574 .7845 11.000000 0.05 24.71 HKLF 4 END