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Polybasite |
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Evain M, Bindi L, Menchetti S |
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Acta Crystallographica B62 (2006) 447-456 |
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Structural compexity in minerals: twinning, polytypism and disorder |
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in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 |
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Sample: T = 100 K |
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Sample: polytype 222 |
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Locality: Hidalgo, Mexico |
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26.188 15.1199 23.784 90 90.0 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .16691 .24468 .043172 .00956 .0107 .0090 .00900 -.00039 .00115 .00059 |
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Sb2 .16495 .75956 .04531 .00994 .0117 .00890 .00920 -.00008 .00150 .00023 |
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Sb3 .42279 -.00463 .04458 .00930 .01021 .0092 .00850 .00040 .00135 -.00093 |
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Sb4 .41010 .50144 .04556 .00909 .01014 .00880 .00834 -.00010 .00106 -.00067 |
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Ag1 .03265 .15019 .05067 .01525 .0145 .0157 .0156 -.0025 -.0003 .0005 |
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Ag2 .04411 .35807 .06687 .02130 .0128 .0251 .0261 .0018 .0000 .0072 |
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Ag3 .04367 .62582 .07179 .629 .0183 .0155 .0192 .0201 -.0052 .0004 .0038 |
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Cu3 .04367 .62582 .07179 .371 .0183 .0155 .0192 .0201 -.0052 .0004 .0038 |
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Ag4 .02949 .86029 .05571 .01601 .0137 .0173 .0170 .0017 .0003 .0006 |
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Ag5 .16341 .00236 .07795 .01789 .0214 .0120 .0202 .0008 .0061 -.0007 |
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Ag6 .18568 .50214 .04781 .01345 .0141 .0140 .0122 .0004 .00375 .0001 |
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Ag7 .28893 .10133 .05286 .01352 .0133 .0123 .0149 .00038 .0027 -.00264 |
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Ag8 .28366 .37619 .06492 .01808 .0170 .0135 .0237 -.0031 .0055 .0001 |
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Ag9 .28776 .62742 .06453 .02113 .0226 .0198 .0209 .0098 .0012 -.0030 |
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Ag10 .28782 .90120 .05781 .01542 .0144 .0143 .0175 -.0001 .0011 .0032 |
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Ag11 .43191 .25277 .05661 .01649 .0183 .0121 .0191 -.0023 -.0008 .0016 |
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Ag12 .41473 .74569 .06274 .0292 .0542 .0129 .0204 -.0067 .0004 .0032 |
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Ag13 .16136 .00334 .20404 .01731 .0103 .0233 .0183 -.0039 .0046 -.0056 |
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Ag14 .34606 .02735 .17942 .0278 .0102 .0612 .0119 -.0024 -.0004 .0029 |
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Ag15 .46076 .00332 .19763 .01657 .0142 .0236 .0119 .0034 .00292 .0011 |
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Ag16 .09979 .19379 .19995 .01964 .0208 .0207 .0174 .0053 -.0049 -.0065 |
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Ag17 .22299 .17223 .19582 .01814 .0226 .0187 .0131 .0005 .0079 -.0004 |
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Ag18 .41209 .20694 .18710 .01792 .0098 .0293 .0147 -.0016 .0009 .0046 |
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Ag19 .05294 .37623 .19771 .01483 .0185 .0090 .0170 -.00400 -.0035 .0010 |
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Ag20 .17400 .37194 .19025 .01810 .0190 .0192 .0161 -.0003 .0042 .0047 |
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Ag21 .29031 .36252 .19557 .01846 .0186 .0140 .0228 .0071 .0050 .0052 |
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Ag22 .40081 .42196 .19368 .01853 .0195 .0232 .0129 -.0053 .0028 -.0033 |
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Ag23 .06107 .63423 .19347 .01860 .0239 .0135 .0184 .0080 -.0062 -.0031 |
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Ag24 .18582 .63050 .18493 .02220 .0319 .0202 .0145 .0156 -.0016 -.0033 |
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Ag25 .30915 .60887 .18989 .02353 .0374 .0211 .0121 -.0170 .0048 -.0019 |
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Ag26 .46596 .59302 .18331 .0265 .0467 .0204 .0125 -.0202 -.0029 .0038 |
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Ag27 .01979 .90541 .18484 .02073 .0315 .0144 .0163 -.0115 .0074 -.0036 |
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Ag28 .13309 .80839 .19781 .02180 .0377 .0153 .0124 .0037 -.0027 .0013 |
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Ag29 .25624 .84547 .19081 .0504 .1043 .0296 .0174 .0423 -.0133 -.0080 |
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Ag30 .41597 .80262 .18696 .02007 .0112 .0371 .0119 .0036 .0000 .0022 |
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Cu1 0 .23886 .25 .0097 .0121 .0108 .0063 .0023 0 |
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Cu2 0 .75503 .25 .0127 .0159 .0147 .0075 .0017 0 |
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Cu3 .24135 .50395 .24890 .0107 .0126 .0125 .0070 .0019 .0012 .0015 |
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S1 .11844 .14076 .09828 .0124 .0121 .0121 .0130 -.0022 -.0003 .0010 |
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S2 .13520 .37545 .08965 .0117 .0123 .0078 .0149 .0001 .0019 .0006 |
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S3 .24561 .23559 .09666 .0096 .0095 .0097 .0095 -.0004 .0009 .0013 |
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S4 .13478 .62719 .09082 .0125 .0176 .0083 .0115 .0006 .0021 -.0002 |
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S5 .11857 .86442 .10367 .0135 .0123 .0132 .0151 .0035 -.0014 -.0002 |
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S6 .24456 .76115 .09706 .0123 .0096 .0118 .0155 .0003 -.0015 -.0029 |
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S7 .49861 -.00273 .10515 .0128 .0078 .0185 .0122 .0013 .0009 -.0023 |
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S8 .37890 .11781 .08808 .0102 .0129 .0086 .0092 .0009 .0015 .0002 |
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S9 .37867 .37455 .09860 .0113 .0132 .0104 .0101 -.0032 -.0013 -.0010 |
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S10 .49477 .50546 .08729 .0099 .0071 .0096 .0129 -.0002 .0009 .0031 |
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S11 .37878 .61442 .10859 .0133 .0146 .0100 .0154 .0019 .0018 -.0016 |
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S12 .37553 .88766 .09824 .0127 .0145 .0103 .0134 -.0022 -.0006 .0032 |
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S13 .22726 -.00277 .00135 .0155 .0127 .0219 .0120 -.0009 -.0004 .0008 |
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S14 .48778 .77813 -.00040 .0278 .0401 .0262 .0172 .0170 -.0002 -.0101 |
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S15 .07259 .01881 .23137 .0097 .0082 .0121 .0088 -.0017 .0014 -.0029 |
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S16 .24775 .00902 .16066 .0097 .0081 .0132 .0078 .0005 .0022 -.0013 |
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S17 .00440 .24792 .15961 .0095 .0118 .0097 .0070 -.0022 .0027 .0010 |
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S18 .32644 .22384 .22820 .0090 .0089 .0101 .0080 .0013 .0005 .0014 |
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S19 .10304 .50215 .22999 .0088 .0080 .0091 .0094 -.0010 .0005 .0003 |
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S20 .24470 .49395 .15820 .0088 .0107 .0090 .0067 .0021 .0007 -.0007 |
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S21 .00012 .74821 .15950 .0086 .0103 .0089 .0065 -.0001 .0007 -.0005 |
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S22 .33157 .75747 .23146 .0070 .0079 .0061 .0070 -.0031 .0012 -.0009 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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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 |
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Sample: T = 120 K |
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Sample: polytype 221 |
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Locality: Hidalgo, Mexico |
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15.0954 15.0954 11.8825 90 90 120 P321 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 1/3 2/3 .08748 .0129 .0137 .0137 .0113 .00687 0 0 |
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Sb2 .33285 .15587 .08778 .0112 .01299 .01127 .01014 .00659 .00027 -.00019 |
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Ag1 .36661 .42990 .10137 .0184 .0181 .0194 .0193 .0105 .00089 -.00345 |
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Ag2 .09007 .42358 .14418 .785 .0247 .0138 .0230 .0316 .0048 -.0045 -.0058 |
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Cu2 .09007 .42358 .14418 .215 .0247 .0138 .0230 .0316 .0048 -.0045 -.0058 |
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Ag3 .07708 .14671 .12156 .895 .0403 .0288 .0515 .0477 .0255 .0144 .0267 |
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Cu3 .07708 .14671 .12156 .105 .0403 .0288 .0515 .0477 .0255 .0144 .0267 |
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Ag4 .56682 .41741 .11845 .0213 .0193 .0160 .0216 .0035 .00119 .00045 |
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Ag5 .34923 .55037 .39194 .0234 .0232 .0263 .0216 .0131 -.00162 -.0077 |
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Ag6 .27335 .07446 .39259 .0244 .0368 .0220 .0172 .0168 -.0034 -.00234 |
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Ag7 .13137 .17613 .37640 .0260 .0350 .0117 .0220 .0046 -.0083 .00048 |
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Ag8 .52806 .16567 .37649 .0393 .0769 .0152 .0165 .0160 -.0053 .0005 |
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Ag9 .09891 .41993 .39861 .0215 .0273 .0215 .0245 .0187 -.0080 -.00499 |
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Ag10 .37973 .30736 .36194 .0400 .0683 .0127 .0174 .0040 -.0015 .00146 |
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Cu1 0 .51322 .5 .0121 .0155 .0136 .0077 .0078 -.0011 -.00057 |
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Cu2 0 0 .5 .0153 .0185 .0185 .0088 .0092 0 0 |
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S1 .26964 .50882 .19090 .0137 .0146 .0115 .0160 .0073 -.0001 -.0009 |
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S2 -.00297 .24192 .20453 .0166 .0110 .0227 .0160 .0084 .0006 .0013 |
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S3 .26011 .24957 .17635 .0149 .0191 .0170 .0138 .0130 .0022 .0018 |
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S4 .48834 .24179 .19616 .0150 .0111 .0114 .0218 .0050 -.0013 .0008 |
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S5 .49297 .50299 .31858 .0110 .0135 .0109 .0086 .0061 .0007 .0012 |
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S6 0 0 .3189 .0101 .0108 .0108 .0087 .0054 0 0 |
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S7 .20146 .34647 .46132 .0121 .0162 .0118 .0102 .0085 -.0030 -.0014 |
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S8 1/3 2/3 .5400 .0102 .0099 .0099 .0107 .0050 0 0 |
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S9 .53714 .53714 0 .0335 .0265 .0265 .0219 -.0058 -.0102 .0102 |
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S10 .0323 .0323 0 1/3 .050 .039 .039 .027 -.014 -.020 .020 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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