Dalnegroite Bindi L, Nestola F, Guastoni A, Secco L Mineralogical Magazine 74 (2013) 999-1012 The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity Locality: Lengenbach quarry, Binntal, Canton Valais, Switzerland _database_code_amcsd 0020126 16.218 42.546 8.58 95.70 90.18 96.38 P1 atom x y z occ Uiso Tl1 .2464 .1580 .425 .061 Tl2 .2374 .1577 .908 .059 Tl3 .7327 .1609 .415 .053 Tl4 .7362 .1590 .928 .069 Tl5 .277 .3446 .071 .066 Tl6 .2749 .3422 .554 .066 Tl7 .7705 .3429 .060 .062 Tl8 .7748 .3430 .584 .061 Tl9 .2462 .6601 .425 .057 Tl10 .2375 .6597 .909 .056 Tl11 .7345 .6629 .415 .051 Tl12 .738 .6616 .927 .066 Tl13 .2771 .8468 .068 .054 Tl14 .2751 .8450 .555 .054 Tl15 .7704 .8452 .059 .059 Tl16 .7748 .8451 .582 .060 Pb1 .0028 .1113 .438 .69 .061 Sb1 .0028 .1113 .438 .31 .061 Pb2 .5037 .1121 .925 .59 .052 Sb2 .5037 .1121 .925 .41 .052 Pb3 .0090 .3908 .060 .59 .042 Sb3 .0090 .3908 .060 .41 .042 Pb4 .5049 .3904 .527 .63 .038 Sb4 .5049 .3904 .527 .37 .038 Pb5 .0020 .6140 .437 .81 .057 Sb5 .0020 .6140 .437 .19 .057 Pb6 .5041 .6148 .923 .050 Pb7 .0117 .8922 .064 .063 Pb8 .5083 .8918 .530 .27 .047 Sb8 .5083 .8918 .530 .73 .047 Sb1 .1595 .0302 .948 .83 .061 Pb1 .1595 .0302 .948 .17 .061 Sb2 .331 .0656 .224 .92 .062 Pb2 .331 .0656 .224 .08 .062 Sb3 .6594 .0329 .942 .82 .060 Pb3 .6594 .0329 .942 .18 .060 Sb4 .8342 .0597 .230 .67 .054 Pb4 .8342 .0597 .230 .33 .054 Sb5 .495 .1186 .432 .71 .068 Pb5 .495 .1186 .432 .29 .068 Sb6 .9940 .1148 .967 .95 .050 Pb6 .9940 .1148 .967 .05 .050 Sb7 .0116 .1963 .657 .70 .066 Pb7 .0116 .1963 .657 .30 .066 Sb8 .5083 .1977 .162 .84 .062 Pb8 .5083 .1977 .162 .16 .062 Sb9 .1666 .2620 .120 .65 .062 Pb9 .1666 .2620 .120 .35 .062 Sb10 .3441 .2429 .876 .70 .067 Pb10 .3441 .2429 .876 .30 .067 Sb11 .6685 .2614 .621 .060 Sb12 .8467 .2429 .378 .063 Sb13 .0073 .3053 .836 .051 Sb14 .5034 .3080 .337 .83 .058 Pb14 .5034 .3080 .337 .17 .058 Sb15 .0216 .3806 .588 .084 Sb16 .5221 .3836 .074 .94 .071 Pb16 .5221 .3836 .074 .06 .071 Sb17 .1790 .4404 .766 .059 Sb18 .6748 .4373 .256 .057 Sb19 .6841 .4420 .778 .056 Sb20 .8354 .4664 .486 .064 Sb21 .4878 .4904 .741 .066 Sb22 .1591 .5324 .949 .067 Sb23 .329 .5670 .230 .065 Sb24 .6596 .5350 .943 .065 Sb25 .834 .5617 .224 .065 Sb26 .4981 .6203 .428 .057 Sb27 .9931 .6171 .969 .058 Sb28 .0118 .6989 .658 .061 Sb29 .5087 .6999 .163 .061 Sb30 .1662 .7639 .121 .060 Sb31 .3451 .7451 .874 .056 Sb32 .6677 .7632 .622 .059 As1 .0223 .0174 .261 .058 As2 .1719 .0352 .519 .057 As3 .331 .0667 .713 .050 As4 .5280 .0200 .250 .058 As5 .676 .0380 .514 .058 As6 .834 .0699 .739 .062 As7 .015 .1865 .164 .064 As8 .516 .1871 .655 .064 As9 .153 .2481 .636 .060 As10 .361 .2551 .355 .059 As11 .653 .2489 .133 .061 As12 .862 .2538 .856 .057 As13 -.001 .3166 .333 .064 As14 .493 .3180 .833 .064 As15 .188 .4362 .268 .052 As16 .3561 .4716 .055 .052 As17 .343 .4673 .484 .062 As18 .8521 .4691 .067 .055 As19 .986 .4838 .743 .064 As20 .0229 .5104 .262 .060 As21 .1708 .5283 .520 .054 As22 .328 .5611 .722 .048 As23 .5278 .5134 .249 .058 As24 .6770 .5320 .514 .055 As25 .833 .5650 .731 .07 As26 .0159 .6788 .167 .065 As27 .5153 .6802 .656 .063 As28 .1542 .7416 .637 .061 As29 .359 .7477 .354 .056 As30 .6531 .7430 .133 .060 As31 .861 .7465 .857 .054 As32 .001 .8095 .325 .065 As33 .494 .8102 .824 .056 As34 .1877 .9291 .266 .055 As35 .3562 .9646 .057 .060 As36 .3428 .9607 .481 .063 As37 .8535 .9616 .070 .061 As38 .9880 .9779 .745 .061 As39 .848 .7445 .373 .052 As40 .008 .8079 .829 .048 As41 .505 .8102 .330 .047 As42 .0150 .8886 .575 .020 As43 .5154 .8887 .047 .021 As44 .178 .9431 .764 .058 As45 .676 .9387 .251 .059 As46 .686 .9439 .774 .060 As47 .8341 .9588 .482 .057 As48 .4876 .9828 .740 .057 S1 .102 .0587 .277 .078 S2 .068 .0555 .689 .060 S3 .238 .0837 .513 .073 S4 .228 .0826 .929 .056 S5 .446 .0433 .037 .066 S6 .419 .0368 .434 .059 S7 .600 .0643 .283 .078 S8 .575 .0564 .692 .064 S9 .749 .0888 .512 .061 S10 .734 .0821 .931 .067 S11 .948 .0409 .041 .077 S12 .918 .0293 .442 .067 S13 .101 .1362 .193 .042 S14 .088 .148 .686 .079 S15 .277 .2145 .108 .052 S16 .279 .2191 .663 .050 S17 .384 .1213 .204 .049 S18 .380 .1139 .698 .052 S19 .434 .1771 .461 .057 S20 .439 .1770 .863 .059 S21 .580 .149 .201 .08 S22 .602 .140 .678 .07 S23 .781 .2192 .159 .053 S24 .779 .2147 .608 .052 S25 .874 .1165 .202 .046 S26 .876 .1198 .715 .049 S27 .936 .1748 .368 .064 S28 .939 .1746 .963 .062 S29 .103 .2218 .454 .062 S30 .097 .2221 .845 .068 S31 .428 .2798 .145 .059 S32 .409 .2823 .544 .062 S33 .596 .2241 .344 .059 S34 .595 .2225 .957 .068 S35 .905 .2829 .044 .060 S36 .927 .2797 .645 .055 S37 .080 .3266 .107 .060 S38 .084 .328 .534 .09 S39 .138 .3859 .282 .038 S40 .127 .385 .781 .07 S41 .239 .285 .331 .09 S42 .233 .2868 .883 .07 S43 .418 .3591 .299 .041 S44 .416 .360 .799 .039 S45 .580 .3313 .023 .070 S46 .580 .3242 .618 .061 S47 .632 .3807 .264 .055 S48 .629 .393 .806 .067 S49 .727 .2885 .389 .073 S50 .738 .2837 .825 .073 S51 .914 .361 .300 .07 S52 .925 .3609 .792 .056 S53 .086 .4677 .556 .067 S54 .072 .4628 .960 .053 S55 .283 .4262 .085 .059 S56 .273 .4240 .487 .056 S57 .261 .0036 .206 .067 S58 .261 .0018 .791 .060 S59 .440 .4568 .291 .053 S60 .417 .4412 .717 .054 S61 .588 .4705 .556 .052 S62 .575 .4674 .958 .048 S63 .786 .4234 .069 .054 S64 .764 .4205 .480 .066 S65 .755 .4955 .214 .077 S66 .764 .0060 .787 .050 S67 .940 .4530 .287 .059 S68 .912 .4390 .728 .060 S69 .102 .5518 .281 .063 S70 .068 .5450 .691 .061 S71 .241 .5759 .507 .061 S72 .226 .5731 .933 .066 S73 .445 .5354 .039 .064 S74 .416 .5292 .438 .060 S75 .601 .5581 .286 .069 S76 .578 .5470 .701 .068 S77 .745 .5780 .509 .061 S78 .735 .5736 .938 .069 S79 .944 .5317 .040 .061 S80 .918 .5228 .446 .066 S81 .100 .6320 .192 .053 S82 .088 .638 .684 .10 S83 .278 .7165 .106 .047 S84 .280 .7202 .661 .052 S85 .384 .627 .202 .07 S86 .373 .612 .691 .08 S87 .432 .6783 .456 .058 S88 .438 .6783 .863 .065 S89 .585 .6476 .194 .058 S90 .598 .6433 .685 .038 S91 .779 .7197 .154 .046 S92 .776 .7164 .612 .049 S93 .867 .614 .187 .08 S94 .877 .627 .740 .10 S95 .937 .6764 .367 .062 S96 .939 .6762 .962 .058 S97 .102 .7239 .450 .064 S98 .096 .7236 .842 .059 S99 .426 .7821 .147 .059 S100 .409 .7845 .544 .062 S101 .597 .7259 .346 .064 S102 .598 .7243 .955 .061 S103 .904 .7840 .042 .059 S104 .926 .7824 .644 .057 S105 .081 .8287 .109 .071 S106 .081 .8327 .536 .075 S107 .143 .888 .285 .06 S108 .124 .887 .784 .11 S109 .233 .7877 .332 .07 S110 .231 .7879 .871 .06 S111 .428 .864 .310 .09 S112 .418 .866 .812 .08 S113 .576 .8345 .026 .065 S114 .580 .8249 .622 .061 S115 .635 .8831 .267 .060 S116 .629 .8929 .800 .067 S117 .729 .7772 .387 .065 S118 .736 .7728 .830 .063 S119 .907 .8474 .321 .064 S120 .926 .849 .795 .07 S121 .084 .9564 .566 .058 S122 .075 .9504 .951 .057 S123 .283 .9171 .081 .062 S124 .271 .9149 .483 .054 S125 .263 .4925 .198 .062 S126 .258 .4924 .791 .057 S127 .441 .9474 .286 .062 S128 .419 .9329 .716 .054 S129 .589 .9596 .558 .053 S130 .575 .9572 .950 .055 S131 .788 .9132 .066 .065 S132 .765 .9126 .478 .061 S133 .755 .9853 .211 .061 S134 .765 .4970 .790 .058 S135 .943 .9432 .285 .065 S136 .915 .9292 .735 .056