Spryite Bindi L, Morana M Minerals 11 (2021) 286 Twinning, superstructure and chemical ordering in spryite, Ag8(As3+0.50As5+0.50)S6, at ultra-low temperature: An X-ray single-crystal study Note: T = 30 K Locality: Uchucchacua, Oyon district, Catajambo, Lima Department, Peru _database_code_amcsd 0020943 14.866 22.240 10.3940 90 90 90 Pna2_1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ag1A .1257 .07361 .3742 .0383 .0386 .0369 .0395 -.0010 .0017 .0011 Ag1B .1269 .40562 .3764 .0359 .0364 .0350 .0364 -.0002 .0009 .0004 Ag1C .1269 .7341 .3739 .0393 .0402 .0385 .0392 .0012 .0055 -.0012 Ag2A .06183 .07485 .83671 .02599 .0262 .0260 .0257 .00011 .00011 .0002 Ag2B .05993 .40511 .83817 .02494 .0250 .0252 .0246 -.00010 -.00013 .00006 Ag2C .06321 .73552 .83630 .02402 .0239 .0241 .0240 .00026 -.00013 .00014 Ag3A .43197 .02050 .01921 .03304 .0333 .0331 .0328 .00012 -.0001 -.0002 Ag3B .43246 .35041 .01990 .02850 .0288 .0285 .0282 .0002 -.00015 -.0001 Ag3C .43262 .68067 .01956 .03866 .0391 .0387 .0382 .0000 .0001 .0000 Ag4A .2768 .1662 .0834 .0290 .0286 .0289 .0295 .0001 -.0004 -.0006 Ag4B .27687 .50675 .08245 .0286 .0288 .0283 .0285 .0000 .00011 -.0005 Ag4C .2770 .8364 .0819 .0391 .0395 .040 .038 -.0003 .0006 -.0002 Ag5A .41845 .03021 .69619 .03584 .0361 .0360 .0354 -.0001 .0000 .0000 Ag5B .41848 .36017 .69717 .03396 .0340 .0342 .0336 .0000 .0001 .0000 Ag5C .41868 .70034 .69693 .02805 .0283 .0283 .0275 -.00003 .0000 -.0001 Ag6A .27281 .12823 .68399 .02865 .0289 .0288 .0283 -.00004 .0001 .0001 Ag6B .27274 .46785 .68435 .03504 .0353 .0351 .0348 .0001 .0000 .0002 Ag6C .27304 .79812 .68428 .02883 .0289 .0289 .0287 -.0001 -.0002 .0000 Ag7A .01698 .0045 .60282 .0387 .0401 .036 .0400 .0001 .00003 -.0003 Ag7B .0175 .3339 .6021 .0249 .0251 .0261 .0234 .0000 .0001 .0002 Ag7C .0168 .6639 .6036 .0351 .0351 .0338 .036 -.0004 .0000 .0007 Ag8A .25877 .04283 .90577 .03030 .0306 .0305 .0298 .00009 .0000 .0001 Ag8B .25881 .37291 .90561 .03138 .0314 .0316 .0311 .0001 .0002 -.0001 Ag8C .25860 .70268 .90549 .02573 .0258 .0258 .0256 .00000 .0000 .0001 As5 .37565 .07852 .34985 .02252 .0230 .0224 .0222 .00017 .0001 .0001 Ge4+ .37583 .40121 .34959 .01968 .0201 .0197 .0193 -.00010 -.0001 .0000 As3 .37990 .78942 .29965 .02286 .0231 .0233 .0222 .00002 .0001 .0001 S1A .1227 .1644 .9763 .030 .033 .035 .023 -.002 .003 .000 S1B .12244 .5046 .9770 .037 .0399 .032 .0397 -.0003 -.0002 .0003 S1C .1221 .8341 .9774 .046 .039 .042 .056 -.002 -.004 .001 S2A -.00394 .09037 .2315 .0388 .0388 .0388 .0387 .0000 -.0007 .0001 S2B -.00418 .42044 .2316 .0380 .0381 .0386 .0375 .0000 -.0007 .0000 S2C -.00434 .75029 .2313 .0358 .0367 .0354 .0354 .0001 .0003 .0005 S3A .37300 .15601 .4794 .0362 .0362 .0366 .0357 -.0001 .0000 -.0007 S3B .37279 .48499 .4791 .0379 .0384 .0381 .0373 -.0001 .0001 -.0001 S3C .37272 .81480 .4788 .0327 .0325 .0332 .0323 .0002 -.0003 -.0001 S4A .25826 .07751 .2306 .0380 .0372 .0379 .0391 -.0002 .0009 .0002 S4B .25859 .40740 .2300 .0402 .0390 .0402 .0415 -.0006 .0007 .0001 S4C .25859 .73719 .2306 .0407 .0406 .0401 .0412 -.0002 .0005 .0001 S5A .3861 .1054 .8663 .0334 .034 .032 .035 -.0001 -.0014 -.0005 S5B .3867 .4357 .8691 .0322 .031 .028 .037 -.0024 -.003 -.003 S5C .3855 .7631 .879 .0398 .037 .034 .049 .004 -.015 .0019 S6A .12309 .08887 .6117 .0320 .0321 .0317 .0322 .0000 .0002 -.0007 S6B .12280 .42869 .6117 .0351 .0349 .0346 .0358 .0003 -.0001 .0003 S6C .12278 .75866 .6112 .0337 .0343 .0331 .0336 .0000 .0004 -.0003