Polybasite Evain M, Bindi L, Menchetti S Acta Crystallographica B62 (2006) 447-456 Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221 Note: used to be called polybasite-221, now called polybasite-T2ac Locality: Hidalgo, Mexico _database_code_amcsd 0009938 15.0954 15.0954 11.8825 90 90 120 P321 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Sb1 1/3 2/3 .08748 .0129 .0137 .0137 .0113 .00687 0 0 Sb2 .33285 .15587 .08778 .0112 .01299 .01127 .01014 .00659 .00027 -.00019 Ag1 .36661 .42990 .10137 .0184 .0181 .0194 .0193 .0105 .00089 -.00345 Ag2 .09007 .42358 .14418 .785 .0247 .0138 .0230 .0316 .0048 -.0045 -.0058 Cu2 .09007 .42358 .14418 .215 .0247 .0138 .0230 .0316 .0048 -.0045 -.0058 Ag3 .07708 .14671 .12156 .895 .0403 .0288 .0515 .0477 .0255 .0144 .0267 Cu3 .07708 .14671 .12156 .105 .0403 .0288 .0515 .0477 .0255 .0144 .0267 Ag4 .56682 .41741 .11845 .0213 .0193 .0160 .0216 .0035 .00119 .00045 Ag5 .34923 .55037 .39194 .0234 .0232 .0263 .0216 .0131 -.00162 -.0077 Ag6 .27335 .07446 .39259 .0244 .0368 .0220 .0172 .0168 -.0034 -.00234 Ag7 .13137 .17613 .37640 .0260 .0350 .0117 .0220 .0046 -.0083 .00048 Ag8 .52806 .16567 .37649 .0393 .0769 .0152 .0165 .0160 -.0053 .0005 Ag9 .09891 .41993 .39861 .0215 .0273 .0215 .0245 .0187 -.0080 -.00499 Ag10 .37973 .30736 .36194 .0400 .0683 .0127 .0174 .0040 -.0015 .00146 Cu1 0 .51322 .5 .0121 .0155 .0136 .0077 .0078 -.0011 -.00057 Cu2 0 0 .5 .0153 .0185 .0185 .0088 .0092 0 0 S1 .26964 .50882 .19090 .0137 .0146 .0115 .0160 .0073 -.0001 -.0009 S2 -.00297 .24192 .20453 .0166 .0110 .0227 .0160 .0084 .0006 .0013 S3 .26011 .24957 .17635 .0149 .0191 .0170 .0138 .0130 .0022 .0018 S4 .48834 .24179 .19616 .0150 .0111 .0114 .0218 .0050 -.0013 .0008 S5 .49297 .50299 .31858 .0110 .0135 .0109 .0086 .0061 .0007 .0012 S6 0 0 .3189 .0101 .0108 .0108 .0087 .0054 0 0 S7 .20146 .34647 .46132 .0121 .0162 .0118 .0102 .0085 -.0030 -.0014 S8 1/3 2/3 .5400 .0102 .0099 .0099 .0107 .0050 0 0 S9 .53714 .53714 0 .0335 .0265 .0265 .0219 -.0058 -.0102 .0102 S10 .0323 .0323 0 1/3 .050 .039 .039 .027 -.014 -.020 .020