|
Kutinaite |
 |
Karanovic L, Poleti D, Makovicky E, Balic-Zunic T, Makovicky M |
 |
The Canadian Mineralogist 40 (2002) 1437-1449 |
|
The crystal structure of synthetic kutinaite, Cu14Ag6As7 |
|
_database_code_amcsd 0005793 |
|
11.78079 11.78079 11.78079 90 90 90 Pm-3m |
|
atom x y z occ Biso |
|
Ag1 .323 .5 0 2.5 |
|
Ag2 .178 0 0 1.8 |
|
Ag3 .187 .5 .5 2.6 |
|
As1 .5 .250 .250 1.9 |
|
As2 0 .248 .248 2.0 |
|
As3 .5 0 0 1.0 |
|
As4 .5 .5 .5 3. |
|
Cu1 .331 .331 .1655 .84 2.3 |
|
Cu2 .123 .123 .383 1.9 |
|
Cu3 .382 .382 .382 3.0 |
|
Cu4 .167 .167 .167 .52 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tennantite |
|
Makovicky E, Karanovic L, Poleti D, Balic-Zunic T, Paar W H |
|
The Canadian Mineralogist 43 (2005) 679-688 |
|
Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13 |
|
Sample: Cerro Atajo, Catamarco, Argentina |
|
_database_code_amcsd 0006002 |
|
10.1756 10.1756 10.1756 90 90 90 I-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 .25 .5 0 .0238 .0309 .0202 .0202 0 0 0 |
|
Cu2A .2174 0 0 .75 .046 .0175 .060 .060 0 0 -.032 |
|
Cu2B .075 .075 -.2139 .17 .050 .057 .057 .035 .025 .018 .018 |
|
As .2586 .2586 .2586 .98 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
|
Sb .2586 .2586 .2586 .02 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002 |
|
S1 .1184 .1184 .3570 .0183 .0195 .0195 .0158 -.0001 .0019 .0019 |
|
S2 0 0 0 .020 .0205 .0205 .0205 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gabrielite |
| |
Balic-Zunic T, Makovicky E, Karanovic L, Poleti D, Graeser S |
|
The Canadian Mineralogist 44 (2006) 141-158 |
|
The crystal structure of gabrielite, Tl2AgCu2As3S7, a new species |
|
of thallium sulfosalt from Lengenbach, Switzerland |
|
Locality: Lengenbach, Switzerland |
|
_database_code_amcsd 0006071 |
|
12.138 12.196 15.944 78.537 84.715 60.470 P-1 |
|
atom x y z occ Uiso |
|
Tl1 .38351 .48556 .43115 .0312 |
|
Tl2 .23349 .89114 .49914 .0388 |
|
Tl3 .62806 .84668 .46356 .0385 |
|
Tl4 -.00007 .27521 .46826 .0471 |
|
Tl5 .66667 .64355 .09277 .0389 |
|
Tl6 .98277 -.0079 .09798 .0502 |
|
Ag1 .1340 .6009 .2828 .38 .0388 |
|
Cu1 .1340 .6009 .2828 .62 .0388 |
|
Ag2 .1853 .0675 .2747 .14 .0362 |
|
Cu2 .1853 .0675 .2747 .86 .0362 |
|
Cu3 .6677 .1094 .2695 .0333 |
|
Ag4 .9877 .4746 .3155 .06 .0320 |
|
Cu4 .9877 .4746 .3155 .94 .0320 |
|
Ag5 .4554 .8991 .3143 .06 .0349 |
|
Cu5 .4554 .8991 .3143 .94 .0349 |
|
Ag6 .5796 .3587 .3002 .10 .0410 |
|
Cu6 .5796 .3587 .3002 .90 .0410 |
|
Ag7 .8453 .2692 .2835 .26 .0335 |
|
Cu7 .8453 .2692 .2835 .74 .0335 |
|
Ag8 .8334 .7523 .2846 .84 .0311 |
|
Cu8 .8334 .7523 .2846 .16 .0311 |
|
Ag9 .3348 .7544 .2806 .79 .0318 |
|
Cu9 .3348 .7544 .2806 .21 .0318 |
|
As1 -.0071 .9304 .2972 .0173 |
|
As2 .6726 .5751 .3357 .0144 |
|
As3 .3332 .2538 .2878 .95 .0181 |
|
Sb3 .3332 .2538 .2878 .05 .0181 |
|
As4 .6547 .3772 .0767 .87 .0201 |
|
Sb4 .6547 .3772 .0767 .13 .0201 |
|
As5 .3347 .5449 .1504 .0184 |
|
As6 .3920 .9315 .0763 .84 .0190 |
|
Sb6 .3920 .9315 .0763 .16 .0190 |
|
As7 .5890 .0339 .1548 .0183 |
|
As8 .9525 .6356 .0761 .89 .0193 |
|
Sb8 .9525 .6356 .0761 .11 .0193 |
|
As9 .0814 .2971 .1535 .0175 |
|
S1 .8184 .9306 .3576 .022 |
|
S2 .1479 .7430 .3627 .034 |
|
S3 .0106 .0724 .3581 .029 |
|
S4 .8221 .5819 .4070 .022 |
|
S5 .4915 .7057 .4014 .019 |
|
S6 .7016 .3778 .3975 .021 |
|
S7 .5071 .2152 .3599 .023 |
|
S8 .1863 .3989 .3657 .027 |
|
S9 .3171 .0807 .3621 .025 |
|
S10 .7640 .2076 .1805 .028 |
|
S11 .4630 .3752 .0821 .022 |
|
S12 .2807 .7213 .0406 .026 |
|
S13 .4834 .5567 .2135 .023 |
|
S14 .2332 .9487 .1691 .030 |
|
S15 .3998 .1179 .0861 .023 |
|
S16 .7330 .9695 .0454 .026 |
|
S17 .6114 .8430 .2160 .022 |
|
S18 -.0059 .7294 .1687 .026 |
|
S19 .1415 .4423 .0840 .022 |
|
S20 .9862 .2717 .0453 .028 |
|
S21 .9053 .4274 .2156 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kirkiite |
|
Makovicky E, Balic-Zunic T, Karanovic L, Poleti D |
|
The Canadian Mineralogist 44 (2006) 177-188 |
|
The crystal structure of kirkiite, Pb10Bi3As3S19 |
|
Locality: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece |
|
_database_code_amcsd 0006074 |
|
8.621 26.03 8.810 90 119.21 90 P2_1/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pbl .7400 .0026 .2340 .033 .032 .025 .049 .003 .025 .003 |
|
Pb2 .5833 .1225 .4235 .034 .039 .029 .043 .004 .026 -.002 |
|
Pb3 .0702 .12613 .9000 .027 .014 .023 .038 .003 .006 .001 |
|
Pb4 .5736 .12606 .9023 .75 .029 .017 .021 .040 -.003 .007 .003 |
|
Bi4 .5736 .12606 .9023 .25 .029 .017 .021 .040 -.003 .007 .003 |
|
Pb5 .934 .25 .1162 .045 .056 .026 .068 0 .042 0 |
|
Pb6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0 |
|
Bi6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0 |
|
Pb7 .406 .25 .567 .038 .011 .034 .043 0 -.008 0 |
|
Bi1 .241 .0021 .239 .58 .010 |
|
As1 .277 -.004 .259 .42 .014 |
|
As2 .074 .1200 .416 .014 |
|
As3 .408 .2805 .073 .50 .019 |
|
Sl .412 .0621 .044 .012 |
|
S2 .868 .0557 .016 .046 |
|
S3 .469 .0548 .623 .019 |
|
S4 .897 .0539 .615 .025 |
|
S5 .830 .1649 .292 .032 |
|
S6 .213 .1649 .281 .023 |
|
S7 .739 .1811 .719 .037 |
|
S8 .207 .1638 .669 .033 |
|
S9 .548 .25 .944 .014 |
|
S10 .12 .25 .930 .09 |
|
S11 .548 .25 .343 .036 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nobleite |
|
Karanovic L, Rosic A, Poleti D |
| |
European Journal of Mineralogy 16 (2004) 825-833 |
|
Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) |
|
Note: Ca analogue of tunellite |
|
Locality: Kopaonik Mt, central Serbia |
|
_database_code_amcsd 0007081 |
|
14.580 8.0240 9.8486 90 111.801 90 P2_1/a |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .1904 .0533 .2172 .015 .0211 .0146 .0120 -.0019 .0076 -.0009 |
|
B1 .1838 .1496 .8444 .012 .0155 .0104 .0099 .0015 .0061 .0000 |
|
B2 .1845 .1510 .5809 .012 .0182 .0093 .0082 .0010 .0058 .0014 |
|
B3 .0371 .2324 .6283 .016 .0146 .0168 .0165 .0010 .0051 .0014 |
|
B4 .2980 -.0565 .7719 .012 .0166 .0096 .0099 .0013 .0061 .0010 |
|
B5 .2440 -.1159 .5121 .013 .0171 .0104 .0106 -.0016 .0056 -.0010 |
|
B6 .2496 -.1137 .9825 .012 .0161 .0104 .0101 -.0023 .0058 -.0017 |
|
O1 .1932 .0291 .9597 .014 .0232 .0117 .0120 .0032 .0107 .0027 |
|
O2 .1993 .0359 .4771 .015 .0250 .0102 .0101 .0028 .0081 .0006 |
|
O3 -.0546 .3061 .5742 .027 .0197 .0430 .0187 .0130 .0075 .0059 |
|
O4 .0284 .1873 .2082 .039 .0319 .0414 .0375 -.0028 .0042 -.0081 |
|
O5 .3902 .0339 .8026 .021 .0153 .0184 .0301 .0001 .0089 .0025 |
|
O6 .2534 -.2005 .3981 .015 .0238 .0113 .0102 .0036 .0081 .0004 |
|
O7 .2799 -.1737 .6520 .016 .0273 .0115 .0101 .0050 .0080 .0002 |
|
O8 .2530 -.2051 .1004 .015 .0210 .0125 .0125 .0027 .0087 .0030 |
|
O9 .2995 -.1574 .8955 .014 .0205 .0133 .0113 .0041 .0089 .0032 |
|
O10 .0806 .1999 .7744 .017 .0148 .0235 .0129 .0036 .0059 .0005 |
|
O11 .0807 .1968 .5317 .017 .0159 .0232 .0121 .0047 .0047 .0023 |
|
O12 .0613 -.1446 .1061 .024 .0204 .0235 .0288 .0002 .0118 .0032 |
|
O13 .3661 .0917 .2892 .032 .0271 .0362 .0301 -.0037 .0084 -.0083 |
|
O14 .2146 .0674 .7298 .011 .0164 .0090 .0086 .0016 .0067 .0014 |
|
H1 -.078 .337 .636 .046 |
|
H2 -.026 .161 .137 .12 |
|
H3 .008 .180 .290 .12 |
|
H4 .431 -.033 .821 .059 |
|
H5 .090 -.253 .129 .076 |
|
H6 .011 -.148 .130 .059 |
|
H7 .402 .072 .259 .13 |
|
H8 .390 .120 .373 .09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Picotpaulite |
|
Balic-Zunic T, Karanovic L, Poleti D |
| |
Acta Chimica Slovenica 55 (2008) 801-809 |
|
Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia |
|
Locality: Allchar, FYR Macedonia |
|
_database_code_amcsd 0011971 |
|
9.083 10.754 5.412 90 90 90 Cmcm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl .5 .1609 .25 .0448 .045 .060 .029 0 0 0 |
|
Fe .3518 .5 0 .0203 .020 .037 .004 0 0 -.001 |
|
S1 .5 .6212 .25 .019 .022 .028 .008 0 0 0 |
|
S2 .2191 .3827 .25 .028 .025 .046 .014 -.013 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enargite |
|
Karanovic L, Cvetkovic L, Poleti D, Balic-Zunic T, Makovicky E |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 241-253 |
|
Crystal and absolute structure of enargite from Bor (Serbia) |
|
Locality: Bor, Serbia |
|
_database_code_amcsd 0014921 |
|
7.4127 6.4404 6.1577 90 90 90 Pmn2_1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu1 0 .1533 .5005 .0309 .0300 .0315 .0311 0 0 .0053 |
|
Cu2 .2478 .3258 .9919 .0301 .0294 .0311 .0297 .0014 -.0016 -.0008 |
|
As 0 .8277 .0000 .0197 .0182 .0196 .0214 0 0 -.0004 |
|
S1 0 .8225 .6411 .0215 .0219 .0272 .015 0 0 .0025 |
|
S2 0 .1474 .1255 .0219 .0221 .0198 .024 0 0 -.0004 |
|
S3 .2565 .3354 .6199 .0215 .0189 .0247 .021 .0011 .0005 .0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
