TITL klat083 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 .5043 .5786 .2387 11.000000 0.05 Q11 1 .5317 .5177 .4223 11.000000 0.05 40.92 Q12 1 .8334 .1766 .2468 11.000000 0.05 40.51 Q16 1 .5400 .6130 .3101 11.000000 0.05 38.88 Q19 1 .4589 .6581 .2789 11.000000 0.05 38.30 Q22 1 .5565 .8240 .1933 11.000000 0.05 38.10 Q25 1 .5320 .2501 .1233 11.000000 0.05 37.19 Q28 1 .5103 .7512 .2496 11.000000 0.05 36.69 Q31 1 .5080 .7654 .0528 11.000000 0.05 35.74 Q32 1 .5296 .3222 .1030 11.000000 0.05 35.72 Q36 1 .5621 .5743 .2958 11.000000 0.05 35.12 Q40 1 .4660 .5352 .3207 11.000000 0.05 34.86 Q42 1 .5673 .2666 .1284 11.000000 0.05 34.56 Q43 1 .5591 .4149 .1556 11.000000 0.05 34.51 Q46 1 .5371 .6577 .3018 11.000000 0.05 34.26 Q51 1 .4521 .5535 .4622 11.000000 0.05 32.68 Q52 1 .6161 .7485 .2138 11.000000 0.05 32.64 Q55 1 .5471 .9012 .2084 11.000000 0.05 32.53 Q56 1 .5384 .8029 .2982 11.000000 0.05 32.36 Q58 1 .5612 .4345 .1300 11.000000 0.05 32.31 Q63 1 .7385 .2506 .0596 11.000000 0.05 32.00 Q64 1 .8018 .2491 .2295 11.000000 0.05 31.86 Q65 1 .5036 .5432 .3410 11.000000 0.05 31.81 Q68 1 .4255 .4464 .1506 11.000000 0.05 31.53 Q69 1 .7845 .2893 .1704 11.000000 0.05 31.50 Q70 1 .5710 .6091 .2719 11.000000 0.05 31.19 Q72 1 .7582 .2294 .1400 11.000000 0.05 31.01 Q76 1 .6586 .8238 .2235 11.000000 0.05 30.70 Q79 1 .4362 .5321 .2103 11.000000 0.05 30.36 Q83 1 .7513 .1765 .2226 11.000000 0.05 30.07 Q85 1 .3807 .6811 .1262 11.000000 0.05 29.96 Q87 1 .7962 .2007 .2134 11.000000 0.05 29.69 Q88 1 .4193 .5665 .2192 11.000000 0.05 29.67 Q89 1 .5572 .7339 .0802 11.000000 0.05 29.49 Q90 1 .4383 .6685 .3360 11.000000 0.05 29.47 Q91 1 .5363 .2486 .0737 11.000000 0.05 29.43 Q92 1 .4118 .6548 .0397 11.000000 0.05 29.29 Q94 1 .6975 .2778 .0782 11.000000 0.05 29.24 Q101 1 .5270 .7266 .0627 11.000000 0.05 28.17 Q105 1 .5292 .4488 .2093 11.000000 0.05 27.66 Q111 1 .5354 .5779 .3426 11.000000 0.05 27.07 Q120 1 .4791 .6382 .2381 11.000000 0.05 26.44 Q123 1 .5524 .5660 .3684 11.000000 0.05 26.03 Q126 1 .3866 .7003 .0889 11.000000 0.05 25.75 Q131 1 .5194 .6355 .2523 11.000000 0.05 24.76 Q136 1 .4994 .7172 .0843 11.000000 0.05 24.58 Q140 1 .4180 .5047 .2015 11.000000 0.05 24.37 Q145 1 .9589 .1601 .3249 11.000000 0.05 24.21 Q156 1 .6390 .2669 .0495 11.000000 0.05 23.87 Q158 1 .5394 .4824 .1531 11.000000 0.05 23.78 Q161 1 .4708 .4913 .3736 11.000000 0.05 23.41 Q164 1 .6199 .5789 .2761 11.000000 0.05 23.31 Q166 1 .3788 .6814 .0324 11.000000 0.05 23.06 Q175 1 .5018 .3088 .1068 11.000000 0.05 22.64 Q181 1 .4697 .5051 .2974 11.000000 0.05 22.48 Q182 1 .5929 .8204 .2590 11.000000 0.05 22.47 Q183 1 .5113 .7620 .2917 11.000000 0.05 22.29 Q185 1 .5121 .7754 .1123 11.000000 0.05 22.21 Q186 1 .5444 .3567 .1611 11.000000 0.05 22.21 Q194 1 .6489 .5376 .2380 11.000000 0.05 21.71 Q196 1 .5889 .3211 .1223 11.000000 0.05 21.65 Q200 1 .5114 .5507 .4274 11.000000 0.05 21.63 Q202 1 .5721 .8585 .2689 11.000000 0.05 21.57 Q203 1 .6401 .2652 .1289 11.000000 0.05 21.56 Q210 1 .7095 .3632 .1960 11.000000 0.05 21.46 Q214 1 .3640 .5457 .2095 11.000000 0.05 21.28 Q215 1 .5433 .4574 .1768 11.000000 0.05 21.24 Q216 1 .4713 .4912 .2156 11.000000 0.05 21.22 Q218 1 .4922 .6459 .1842 11.000000 0.05 21.19 Q219 1 .4621 .5410 .3577 11.000000 0.05 21.17 Q222 1 .5121 .5898 .3977 11.000000 0.05 20.91 Q224 1 .4134 .7302 .0477 11.000000 0.05 20.83 Q227 1 .4867 .7013 .2988 11.000000 0.05 20.72 Q233 1 .7314 .2102 .0286 11.000000 0.05 20.48 Q234 1 .3386 .5813 .2596 11.000000 0.05 20.48 Q237 1 .5084 .8096 .1759 11.000000 0.05 20.44 Q239 1 .9083 .1669 .2788 11.000000 0.05 20.38 Q241 1 .6157 .5536 .1996 11.000000 0.05 20.37 Q243 1 .5077 .8108 .2197 11.000000 0.05 20.33 Q247 1 .6236 .2977 .0795 11.000000 0.05 20.15 Q250 1 .7386 .2943 .2093 11.000000 0.05 19.97 Q251 1 .5595 .7850 .2253 11.000000 0.05 19.96 Q252 1 .5994 .3223 .0737 11.000000 0.05 19.91 MOLE 2 Q1 1 -.0012 .4416 .2258 11.000000 0.05 101.08 Q2 1 -.0160 .4415 .2663 11.000000 0.05 52.14 Q3 1 -.0598 .4157 .1661 11.000000 0.05 48.74 Q4 1 -.0043 .4142 .2931 11.000000 0.05 46.84 Q8 1 -.0576 .5174 .1119 11.000000 0.05 42.86 Q9 1 .0433 .5003 .2287 11.000000 0.05 41.66 Q17 1 -.4009 .4438 -.0303 11.000000 0.05 38.70 Q18 1 .0690 .4174 .3132 11.000000 0.05 38.56 Q20 1 .0064 .3030 .2879 11.000000 0.05 38.18 Q21 1 -.1726 .5019 .0608 11.000000 0.05 38.13 Q24 1 -.0419 .4514 .2411 11.000000 0.05 37.66 Q29 1 -.0180 .1860 .1322 11.000000 0.05 36.24 Q33 1 -.0606 .4654 .2808 11.000000 0.05 35.50 Q34 1 -.0501 .1712 .0399 11.000000 0.05 35.35 Q37 1 -.0306 .2811 .2226 11.000000 0.05 35.04 Q44 1 -.2918 .4598 .0198 11.000000 0.05 34.43 Q48 1 -.0707 .2755 .0203 11.000000 0.05 33.06 Q66 1 .0183 .4356 .2932 11.000000 0.05 31.72 Q80 1 -.0379 .2486 .0809 11.000000 0.05 30.35 Q84 1 .0440 .4610 .1673 11.000000 0.05 29.97 Q93 1 -.1248 .4422 .2807 11.000000 0.05 29.26 Q102 1 -.3822 .5063 -.0304 11.000000 0.05 28.04 Q103 1 -.0228 .3970 .2418 11.000000 0.05 27.92 Q104 1 -.1509 .2535 -.0249 11.000000 0.05 27.78 Q109 1 -.3227 .4720 -.0456 11.000000 0.05 27.18 Q113 1 -.0521 .4145 .2488 11.000000 0.05 27.00 Q114 1 -.0890 .4702 .1405 11.000000 0.05 26.83 Q115 1 .0238 .3543 .2859 11.000000 0.05 26.83 Q130 1 .0094 .4466 .1218 11.000000 0.05 24.77 Q143 1 -.0956 .2704 .1730 11.000000 0.05 24.26 Q151 1 .0176 .5341 .1597 11.000000 0.05 24.02 Q152 1 -.0835 .3069 .0414 11.000000 0.05 23.98 Q154 1 -.1107 .3249 .0780 11.000000 0.05 23.90 Q157 1 -.1585 .3136 .0807 11.000000 0.05 23.86 Q162 1 .0085 .2560 .2170 11.000000 0.05 23.36 Q180 1 .0617 .5432 .1623 11.000000 0.05 22.50 Q190 1 -.1298 .5252 .1319 11.000000 0.05 22.00 Q192 1 .0119 .2083 .1983 11.000000 0.05 21.90 Q205 1 -.0477 .2154 .0423 11.000000 0.05 21.54 Q221 1 -.0162 .1965 .2281 11.000000 0.05 20.99 Q226 1 -.3278 .5053 -.0911 11.000000 0.05 20.73 Q229 1 -.2234 .4380 .0449 11.000000 0.05 20.56 Q230 1 -.0134 .4843 .2116 11.000000 0.05 20.51 Q248 1 .0102 .2652 .3184 11.000000 0.05 20.06 Q249 1 -.1819 .2679 .0120 11.000000 0.05 19.97 Q254 1 .0614 .4349 .2060 11.000000 0.05 19.90 Q255 1 -.1450 .4204 .1028 11.000000 0.05 19.88 MOLE 3 Q5 1 .1828 .1071 .4480 11.000000 0.05 45.98 Q15 1 .1886 -.1481 .6499 11.000000 0.05 38.93 Q57 1 .0976 -.0663 .5507 11.000000 0.05 32.36 Q61 1 .1364 -.0497 .5921 11.000000 0.05 32.24 Q73 1 .1582 .0883 .4807 11.000000 0.05 30.99 Q75 1 .2391 .1006 .4000 11.000000 0.05 30.85 Q77 1 -.0052 -.1269 .5055 11.000000 0.05 30.40 Q82 1 .0198 -.0936 .5120 11.000000 0.05 30.22 Q106 1 .1306 -.1513 .6376 11.000000 0.05 27.63 Q116 1 .1366 .0374 .5800 11.000000 0.05 26.71 Q124 1 .1631 -.0302 .5608 11.000000 0.05 25.89 Q139 1 .1310 -.0894 .5714 11.000000 0.05 24.45 Q144 1 .1721 .1097 .5723 11.000000 0.05 24.22 Q146 1 .1463 -.0785 .6380 11.000000 0.05 24.21 Q149 1 .2011 .0771 .4069 11.000000 0.05 24.10 Q163 1 .3031 .0849 .3884 11.000000 0.05 23.32 Q167 1 .2173 .0522 .5723 11.000000 0.05 22.95 Q172 1 .1407 .2071 .4706 11.000000 0.05 22.75 Q191 1 .0886 .2043 .4025 11.000000 0.05 21.98 Q204 1 .2223 .0893 .5205 11.000000 0.05 21.56 Q208 1 .1581 .1256 .3805 11.000000 0.05 21.50 Q211 1 .2737 .1223 .5445 11.000000 0.05 21.35 Q232 1 -.0507 -.1877 .5018 11.000000 0.05 20.49 Q236 1 .2552 .1132 .4810 11.000000 0.05 20.46 Q253 1 .1851 .1409 .4763 11.000000 0.05 19.91 MOLE 4 Q6 1 .3238 .8333 .1982 11.000000 0.05 44.59 Q14 1 .3209 .8118 .2145 11.000000 0.05 39.18 Q67 1 .2584 .7288 .1637 11.000000 0.05 31.59 Q97 1 .1576 .7450 .1789 11.000000 0.05 28.95 Q118 1 .3321 .7710 .1695 11.000000 0.05 26.63 Q178 1 .2905 .7716 .1630 11.000000 0.05 22.51 Q188 1 .3993 .7851 .1511 11.000000 0.05 22.08 Q209 1 .2106 .7428 .1476 11.000000 0.05 21.47 MOLE 5 Q7 1 .3313 .6049 .4796 11.000000 0.05 44.57 Q10 1 .2305 .5183 .6171 11.000000 0.05 41.51 Q13 1 .1662 .6949 .4536 11.000000 0.05 39.23 Q23 1 .1585 .5610 .4059 11.000000 0.05 37.66 Q27 1 .1130 .5596 .3799 11.000000 0.05 36.76 Q35 1 .3583 .5126 .4425 11.000000 0.05 35.20 Q41 1 .1543 .6282 .4456 11.000000 0.05 34.80 Q47 1 .0497 .5948 .2396 11.000000 0.05 34.00 Q96 1 .2667 .4524 .5679 11.000000 0.05 29.01 Q107 1 .3010 .6268 .5065 11.000000 0.05 27.54 Q108 1 .0876 .5171 .3306 11.000000 0.05 27.29 Q110 1 .1683 .5470 .5392 11.000000 0.05 27.12 Q112 1 .1391 .5059 .4312 11.000000 0.05 27.01 Q137 1 .2138 .5796 .5311 11.000000 0.05 24.57 Q150 1 .2397 .6175 .4852 11.000000 0.05 24.03 Q165 1 .3415 .4600 .5664 11.000000 0.05 23.11 Q168 1 .0681 .5754 .2933 11.000000 0.05 22.86 Q169 1 .1529 .4770 .4208 11.000000 0.05 22.86 Q179 1 .2611 .4813 .5404 11.000000 0.05 22.50 Q184 1 .3180 .5950 .4176 11.000000 0.05 22.22 Q193 1 .1220 .6456 .4285 11.000000 0.05 21.76 Q198 1 .1924 .4861 .5373 11.000000 0.05 21.64 Q207 1 .1292 .6020 .4044 11.000000 0.05 21.50 Q212 1 .1828 .5958 .5090 11.000000 0.05 21.34 Q217 1 .2283 .4644 .5644 11.000000 0.05 21.20 Q235 1 .3176 .5001 .5117 11.000000 0.05 20.47 Q238 1 .3722 .5468 .3895 11.000000 0.05 20.38 MOLE 6 Q26 1 .0807 .1006 .1891 11.000000 0.05 36.89 Q129 1 .0431 .1098 .1553 11.000000 0.05 24.98 Q135 1 .1265 .1228 .2743 11.000000 0.05 24.69 Q141 1 .1396 .1771 .3114 11.000000 0.05 24.36 Q187 1 .0635 .1209 .2077 11.000000 0.05 22.09 MOLE 7 Q30 1 .2422 .2790 .0604 11.000000 0.05 36.10 Q95 1 .2986 .2602 .0349 11.000000 0.05 29.19 Q206 1 .3063 .2858 -.0070 11.000000 0.05 21.53 MOLE 8 Q38 1 .3875 .2406 .1241 11.000000 0.05 35.01 Q99 1 .4165 .2423 .0577 11.000000 0.05 28.80 MOLE 9 Q39 1 .1123 .3931 .3999 11.000000 0.05 34.98 MOLE 10 Q45 1 .0974 .1812 .0043 11.000000 0.05 34.35 Q81 1 .1294 .1730 .0515 11.000000 0.05 30.33 Q223 1 .1925 .1641 .0500 11.000000 0.05 20.86 Q225 1 .1508 .1624 .0784 11.000000 0.05 20.82 Q231 1 .1669 .1189 .1123 11.000000 0.05 20.49 MOLE 11 Q49 1 .4654 .6710 .4597 11.000000 0.05 32.81 Q147 1 .4527 .6698 .5371 11.000000 0.05 24.18 MOLE 12 Q50 1 .2344 .3194 .2264 11.000000 0.05 32.76 Q244 1 .1633 .2779 .2119 11.000000 0.05 20.31 Q245 1 .2016 .2845 .1919 11.000000 0.05 20.30 MOLE 13 Q53 1 .5033 .0669 .4661 11.000000 0.05 32.59 Q171 1 .4949 .0879 .4252 11.000000 0.05 22.81 Q220 1 .5132 .0676 .3683 11.000000 0.05 21.17 MOLE 14 Q54 1 .0086 .4028 .4612 11.000000 0.05 32.58 Q133 1 .0410 .4296 .4702 11.000000 0.05 24.71 Q153 1 .0893 .4088 .4858 11.000000 0.05 23.90 Q170 1 .0425 .3609 .4393 11.000000 0.05 22.84 Q177 1 .0274 .4374 .5491 11.000000 0.05 22.53 MOLE 15 Q59 1 .2174 .9740 .3705 11.000000 0.05 32.26 Q62 1 .2284 .9838 .3137 11.000000 0.05 32.03 Q127 1 .2289 .9643 .2509 11.000000 0.05 25.28 Q195 1 .2600 .9833 .3964 11.000000 0.05 21.65 MOLE 16 Q60 1 .3665 .3573 .3932 11.000000 0.05 32.25 Q71 1 .3225 .3797 .4146 11.000000 0.05 31.13 Q100 1 .2728 .3388 .3315 11.000000 0.05 28.74 Q121 1 .3005 .1959 .3929 11.000000 0.05 26.31 Q132 1 .3116 .1493 .3296 11.000000 0.05 24.75 Q142 1 .1900 .3206 .3435 11.000000 0.05 24.31 Q159 1 .3692 .3164 .3822 11.000000 0.05 23.61 Q160 1 .2559 .3414 .3930 11.000000 0.05 23.56 Q197 1 .2639 .2744 .3688 11.000000 0.05 21.64 Q199 1 .2558 .2475 .4104 11.000000 0.05 21.64 Q201 1 .3988 .3867 .3807 11.000000 0.05 21.60 Q228 1 .3350 .1695 .2880 11.000000 0.05 20.63 Q240 1 .3525 .4474 .3475 11.000000 0.05 20.37 Q242 1 .3505 .4270 .3680 11.000000 0.05 20.33 MOLE 17 Q74 1 .2806 .1122 .2372 11.000000 0.05 30.89 MOLE 18 Q78 1 .2637 .2011 .1817 11.000000 0.05 30.39 MOLE 19 Q86 1 .2298 .4489 .3528 11.000000 0.05 29.79 MOLE 20 Q98 1 .4138 .1300 .3596 11.000000 0.05 28.86 MOLE 21 Q117 1 .2339 .2225 .2715 11.000000 0.05 26.69 MOLE 22 Q119 1 .3419 .9340 .2210 11.000000 0.05 26.53 MOLE 23 Q122 1 .3896 .9475 .1376 11.000000 0.05 26.13 Q148 1 .3860 .9106 .0887 11.000000 0.05 24.15 Q176 1 .3861 .8805 .1680 11.000000 0.05 22.62 Q246 1 .3175 .9523 .0880 11.000000 0.05 20.21 MOLE 24 Q125 1 .2583 .6111 .0290 11.000000 0.05 25.85 MOLE 25 Q128 1 .2380 .8578 .4109 11.000000 0.05 25.11 MOLE 26 Q134 1 .1296 .8176 .0926 11.000000 0.05 24.70 MOLE 27 Q138 1 .3742 .4043 .5004 11.000000 0.05 24.55 MOLE 28 Q155 1 .0220 .7410 .0783 11.000000 0.05 23.88 MOLE 29 Q173 1 .3536 .3143 .0979 11.000000 0.05 22.74 MOLE 30 Q174 1 .1594 .3620 .1615 11.000000 0.05 22.67 MOLE 31 Q189 1 .2586 .7316 .0664 11.000000 0.05 22.04 MOLE 32 Q213 1 .0509 .6056 .1033 11.000000 0.05 21.29 HKLF 4 END