American Mineralogist Crystal Structure Database

9 matching records for this search.

Tvalchrelidzeite
Download hom/tvalchrelidzeite.pdf
Yang H, Downs R T, Costin G, Eichler C M
Download cm/vol45/CM45_1529.pdf
The Canadian Mineralogist 45 (2007) 1529-1533
The crystal structure of tvalchrelidzeite, Hg3SbAsS3, and a revision of its
chemical formula
Locality: Gomi deposit, Rioni River Valley, Caucacus Mountains, Georgia
_database_code_amcsd 0006159
11.5526 4.3852 15.6373 90 91.845 90 P2_1/n
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1  .61911 .36405 .31860 .0224  .0142  .0288  .0240  .0018 -.0016 -.0030
Hg2  .36925 .72983 .42456 .0209  .0213  .0232  .0185  .0022  .0032 -.0054
Hg3  .39099 .71836 .18764 .0221  .0274  .0237  .0149  .0020 -.0022  .0052
Sb   .85759 .81322 .44887 .0135  .0133  .0143  .0129 -.0001 -.0006 -.0004
As    .4033  .3522  .3077 .0145  .0152  .0139  .0143 -.0007  .0002 -.0001
S1    .8268  .4521  .3312 .0162  .0151  .0210  .0124  .0001  .0007 -.0019
S2    .3534  .1061  .5368 .0162  .0144  .0175  .0167  .0005  .0008 -.0020
S3    .3805  .0639  .0689 .0156  .0165  .0178  .0123 -.0018 -.0005  .0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fizelyite
Download hom/fizelyite.pdf
Yang H, Downs R T, Burt J B, Costin G
Download cm/vol47/CM47_1257.pdf
The Canadian Mineralogist 47 (2009) 1257-1264
Structure refinement of an untwinned single crystal of Ag-excess fizelyite,
Ag5.94Pb13.74Sb20.84S48
Locality: Van Silver mine, Squamish, British Columbia, Canada
_database_code_amcsd 0006307
19.2767 13.2345 8.7230 90 90.401 90 P2_1/n
atom       x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb1   .25336 .90335  .39489      .03218 .03363 .03376 .02918 -.00773  .00202 -.00293
Pb2   .25021 .91738 -.09877      .03155 .03316 .02741 .03401 -.00215 -.00364  .00198
PbM1  .04887 .88423  .63069 .880 .02493 .02451 .02613 .02414  .00108 -.00147 -.00081
SbM1A .04887 .88423  .63069 .120 .02493 .02451 .02613 .02414  .00108 -.00147 -.00081
PbM2  .12809 .14880  .11639 .556 .02370 .02483 .01881 .02749  .00054  .00214 -.00003
SbM2A .12809 .14880  .11639 .095 .02370 .02483 .01881 .02749  .00054  .00214 -.00003
AgM2B .11798 .15008  .05462 .330 .09790 .10607 .02085 .16729 -.00852  .03758  .01501
Sb1   .34866 .12667  .64208      .02235 .02547 .02153 .02002  .00258 -.00127  .00073
Sb2   .44284 .88187  .62540      .02223 .01866 .02095 .02703 -.00002 -.00363  .00087
Sb3   .12784 .64666  .38066      .02162 .02210 .02009 .02266 -.00015  .00001  .00015
Sb4  -.05363 .63074  .63687      .02269 .02175 .02430 .02198 -.00106 -.00151 -.00148
Sb5   .05207 .87500  .14416      .02161 .02015 .02221 .02248 -.00328  .00023  .00136
Ag1   .14372 .17987 -.39271 .755 .04637 .03757 .05093 .05059  .02238 -.00231  .01009
Ag1B  .13336 .16903 -.34655 .192 .02802 .01722 .02421 .04261  .00972 -.00172 -.01177
Ag2   .17332 .11542  .33880 .209 .04046 .03250 .02228 .06699 -.01154  .02738 -.01545
S1    .39464 .00414 -.16482      .02295 .02652 .02387 .01844  .00093 -.00093 -.00012
S2   -.00030 .72559  .84772      .03224 .03281 .04091 .02299 -.01066 -.00048 -.00504
S3    .23047 .04647 -.35532      .02388 .02212 .02285 .02664  .00538 -.00274 -.00133
S4    .33643 .78508  .62657      .02409 .02311 .02370 .02543 -.00431 -.00148  .00414
S5    .09962 .96916  .93084      .03017 .02782 .03657 .02607 -.01035 -.00319  .00649
S6    .16607 .75761  .58753      .02259 .02099 .02423 .02255 -.00224  .00164 -.00006
S7    .39728 .00309  .43327      .02244 .02552 .02419 .01761 -.00100 -.00037  .00214
S8   -.01999 .75146  .43163      .02524 .02147 .03394 .02032 -.00031 -.00022  .00161
S9    .25856 .06015  .13720      .02554 .02368 .02174 .03125 -.00530  .00284 -.00045
S10  -.16860 .70588  .64858      .02635 .01687 .03400 .02820 -.00154  .00070  .00429
S11   .08702 .99048  .34882      .02929 .03761 .02633 .02392 -.00053 -.00064 -.00351
S12   .15766 .76730  .16853      .02366 .02469 .02470 .02158 -.00071 -.00048  .00194
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tyrrellite
Download hom/tyrrellite.pdf
Yang H, Hubler D K, Lavina B, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=63&spage=73
Acta Crystallographica C63 (2007) i73-i74
Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel
Locality: Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada
_database_code_amcsd 0010334
9.98850 9.98850 9.98850 90 90 90 *Fd3m
0.125 0.125 0.125
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Cu     .125    .125    .125     .01020 .01020 .01020 .01020       0       0       0
Co       .5       0       0 .68 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031
Ni       .5       0       0 .32 .00624 .00624 .00624 .00624 -.00031 -.00031 -.00031
Se   .26192 -.01192 -.01192     .00705 .00705 .00705 .00705  .00027  .00027 -.00027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Isokite
Download hom/isokite.pdf
Yang H, Zwick J, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=63&spage=89
Acta Crystallographica C63 (2007) i89-i90
Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite
Locality: Kjorrestad, near Bamle, Norway
_database_code_amcsd 0010337
6.5109 8.7301 6.9046 90 112.246 90 C2/c
atom     x      y     z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      .5      0    .5     .00979  .0105  .0103  .0089 -.0001  .0041  .0013
Ca      .5 .33652   .25     .01762  .0107  .0083  .0276   .000  .0003   .000
P        0 .17921   .25     .00759  .0066  .0073  .0088   .000  .0029   .000
O1   .1091 .28009 .1325      .0107  .0105  .0102  .0128  .0004  .0058  .0023
O2   .1690 .07291 .4092      .0116  .0095  .0106  .0128 -.0001  .0023  .0022
F       .5 .08302   .25 .80  .0110  .0147  .0098  .0094   .000  .0053   .000
OH      .5 .08302   .25 .20  .0110  .0147  .0098  .0094   .000  .0053   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kolbeckite
Download hom/kolbeckite.pdf
Yang H, Li C, Jenkins R A, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=63&spage=91
Acta Crystallographica C63 (2007) i91-i92
Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite
Locality: Hot Springs County, Arkansas, USA
_database_code_amcsd 0010338
5.4258 10.2027 8.9074 90 90.502 90 P2_1/n
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Sc    .41180 .33384  .29797 .94 .01235 .01037 .01073 .01594  .00000  .00024 -.00057
V     .41180 .33384  .29797 .03 .01235 .01037 .01073 .01594  .00000  .00024 -.00057
Fe    .41180 .33384  .29797 .02 .01235 .01037 .01073 .01594  .00000  .00024 -.00057
Al    .41180 .33384  .29797 .01 .01235 .01037 .01073 .01594  .00000  .00024 -.00057
P    -.08648 .15360  .17938     .01197 .01036 .01061 .01494  .00055  .00074 -.00022
O1    .16573 .18718  .24833     .02099 .01207 .01509 .03573 -.00046 -.00409 -.00584
O2   -.10604 .20645  .02028     .02537 .04097 .01995 .01522  .00354  .00152  .00167
O3   -.28691 .21526  .27535     .01868 .01642 .01808 .02163  .00463  .00473  .00065
O4   -.11366 .00430  .18163     .01702 .01328 .01151 .02627  .00016 -.00049  .00057
O5    .10392 .46097  .29539     .04840 .01217 .01524 .11783  .00175  .00291  .00654
O6    .43332 .36350  .05529     .03985 .04760 .05120 .02070 -.00914 -.00298 -.00224
H1   -.02758 .46121  .28771     .02066
H2    .15760 .53565  .27518     .05383
H3    .31004 .32961 -.01456     .04282
H4    .34954 .40089  .06978     .00001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Iranite
Download hom/iranite.pdf
Yang H, Sano J L, Eichler C, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=63&spage=122
Acta Crystallographica C63 (2007) i122-i124
Iranite, CuPb10(CrO4)6(SiO4)2(OH)2, isomorphous with hemihedrite
Locality: Chapacase mine, Sierra Cerillos district, Tocopilla, Chile
_database_code_amcsd 0010340
9.5416 11.3992 10.7465 120.472 92.470 55.531 P-1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Cu        0     .5      0  .0073  .0094  .0051  .0061  -.0042  -.0025  .0030
Pb1  .25932 .10817 .26084 .01674 .01577 .01461 .01353 -.00899 -.00408 .00552
Pb2  .26267 .08803 .65782 .01224 .01004 .01029 .01122 -.00534 -.00213 .00470
Pb3  .92955 .24266 .02886 .01330 .01343 .01210 .01257 -.00789 -.00281 .00636
Pb4  .73129 .41520 .74861 .01951 .02207 .02192 .02042 -.01419 -.01093 .01546
Pb5  .31800 .45125 .53230 .01563 .01874 .02070 .01581 -.01476 -.01030 .01279
Cr1  .95691 .07568 .35431  .0129  .0137  .0133  .0116  -.0101  -.0042  .0054
Cr2  .56240 .17381 .15417  .0085  .0070  .0062  .0077  -.0024  -.0009  .0036
Cr3  .45357 .32313 .83512  .0094  .0085  .0096  .0107  -.0059  -.0035  .0061
Si    .0238  .4530 .66184  .0016  .0025  .0026  .0022  -.0010  -.0011  .0018
O1    .7526  .2258  .4793  .0273   .021   .021   .023   -.014    .001   .003
O2    .1016  .0791  .4400  .0241   .029   .026   .027   -.022   -.022   .016
O3    .9960  .1191  .7373  .0179   .019   .017   .015   -.014   -.004   .005
O4    .9711  .1113  .2286  .0276   .030   .038   .037   -.025   -.017   .031
O5    .5094  .1359  .2693  .0157   .016   .016   .016   -.010   -.003   .010
O6    .4274  .2011  .0550  .0239   .021   .031   .019   -.016   -.012   .015
O7    .7703  .0099  .0328  .0166   .011   .013   .014   -.001    .002   .007
O8    .5351  .3564  .2680  .0193   .019   .017   .026   -.012   -.008   .014
O9    .6089  .2855  .9127  .0239   .018   .028   .027   -.013   -.016   .019
O10   .4636  .3961  .7413  .0255   .037   .033   .027   -.027   -.013   .022
O11   .2494  .4823  .9729  .0159   .014   .010   .014   -.005    .000   .004
O12   .4831  .1376  .7178  .0165   .012   .012   .020   -.008   -.006   .006
O13   .2111  .3011  .5135  .0129   .010   .011   .010   -.006    .001   .003
O14   .0385  .3927  .7755  .0104   .013   .008   .006   -.004  -.0009   .005
O15   .9898  .3729  .2577  .0148   .024   .012   .011   -.012   -.005   .007
O16   .8491  .4798  .6138  .0146   .016   .016   .017   -.009   -.010   .013
OH    .1390  .2594  .9361  .0097   .012   .005   .007   -.004  -.0003  .0022
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Goethite
Download hom/goethite.pdf
Yang H, Lu R, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=62&spage=250
Acta Crystallographica E62 (2006) i250-i252
Goethite, alpha-FeO(OH), from single-crystal data
Locality: Park County, Colorado, USA
_database_code_amcsd 0010471
4.5979 9.9510 3.0178 90 90 90 Pbnm
atom      x      y   z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Fe   .04892 .85366 .25 .00588 .00664 .00537 .00565  .00004      0      0
O1   .70569 .19914 .25 .00716 .00710 .00727 .00712  .00201      0      0
Oh2  .19871 .05298 .25 .00738 .00687 .00643 .00886 -.00042      0      0
H    .37813 .08170 .25 .01942
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cobaltaustinite
Download hom/cobaltaustinite.pdf
Yang H, Costin G, Keogh J, Lu R, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=63&spage=53
Acta Crystallographica E63 (2007) i53-i55
Cobaltaustinite, CaCo(AsO4)(OH)
Locality: Dome Rock, Mingary, South Australia, Australia
_database_code_amcsd 0010473
7.4919 8.9946 5.9158 90 90 90 P2_12_12_1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .62941 .32886  .5223     .0166  .0151  .0150  .0197  .0010 -.0007 -.0009
Co   .25814 .50516  .2547 .95 .0145  .0131  .0157  .0149 -.0005  .0009  .0013
Cu   .25814 .50516  .2547 .05 .0145  .0131  .0157  .0149 -.0005  .0009  .0013
As   .62045 .67900 .48441     .0143  .0119  .0139  .0172 -.0003  .0001 -.0001
O1    .4433  .5613  .5088     .0210   .019   .022   .022 -.0043  -.001  -.008
O2    .7125  .4364  .9121     .0247   .021   .027   .027   .006  -.004  -.002
O3    .3521  .2695  .7673     .0181   .018   .018   .018   .000  -.001  .0021
O4    .3975  .2945  .2403     .0223   .026   .018   .022  -.001  -.009   .001
O5    .3956  .5740  .9944     .0218   .017   .026   .023  .0006  -.004   .001
H      .504   .506   .990       .06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wilkinsonite
Download hom/wilkinsonite.pdf
Burt J B, Downs R T, Costin G
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=63&spage=122
Acta Crystallographica E63 (2007) i122-i124
Single-crystal X-ray refinement of wilkinsonite, Na2Fe2+4Fe3+2Si6O20.
Locality: Warrumbungle Volcano, central New South Wales, Australia
_database_code_amcsd 0010476
10.3355 10.7847 8.9142 105.048 96.461 125.302 P-1
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Na1  .21036 .63125 .38834     .01308 .01321 .01409 .01308 .00920  .00318 .00594
Na2  .66109 .61279 .37244     .01558 .01086 .01320 .01675 .00442  .00296 .00733
Fe1       0      0     .5  .5 .00893 .00765 .00758 .01054 .00497  .00108 .00270
Fe2       0     .5      0  .5 .00792 .00626 .00853 .00711 .00417  .00190 .00219
Fe3  .31905 .85202 .17897     .00742 .00687 .00730 .00832 .00475  .00202 .00296
Fe4  .76728 .82004 .15109     .00742 .00679 .00778 .00715 .00459  .00230 .00234
Fe5  .09363 .93553 .05864     .01104 .00914 .01221 .01226 .00646  .00323 .00645
Fe6  .59487 .94132 .06557     .00708 .00779 .00659 .00733 .00437  .00305 .00366
Fe7  .99381 .73633 .26446     .00706 .00583 .00704 .00751 .00423  .00170 .00166
Si1  .47856 .23504 .33068     .00584 .00534 .00565 .00726 .00345  .00262 .00339
Si2  .98595 .23337 .34225     .00495 .00550 .00606 .00513 .00425  .00258 .00275
Si3  .79150 .33856 .24104     .00509 .00492 .00506 .00563 .00320  .00198 .00240
Si4  .72159 .66157 .77590     .00559 .00542 .00580 .00606 .00384  .00170 .00235
Si5  .64857 .94629 .44736     .00608 .00587 .00739 .00602 .00434  .00228 .00352
Si6  .35235 .55640 .04592     .00539 .00472 .00398 .00566 .00217  .00119 .00130
O1   .35818 .06889 .16487     .00790 .00911 .00842 .00716 .00623  .00296 .00253
O2   .86095 .06772 .17513     .00799 .00704 .00920 .00911 .00578  .00366 .00338
O3   .55580 .95318 .29564     .00787 .00448 .00930 .00941 .00387  .00272 .00433
O4   .01485 .93349 .27479     .00762 .00610 .00878 .00816 .00468  .00199 .00385
O5   .24029 .87626 .39573     .00945 .01098 .00804 .01162 .00728  .00554 .00284
O6   .75486 .88351 .39477     .00751 .00727 .00750 .00906 .00534  .00282 .00323
O7   .50726 .80265 .50559     .00809 .00560 .00841 .00810 .00317  .00228 .00380
O8   .95777 .78451 .49264     .00658 .00526 .00806 .00804 .00466  .00229 .00415
O9   .89916 .32134 .37379     .00739 .00841 .00935 .00840 .00721  .00298 .00450
O10  .59320 .66083 .64779     .00691 .00778 .00802 .00535 .00540  .00270 .00196
O11  .33560 .82749 .92558     .00777 .00503 .00576 .00752 .00210 -.00067 .00072
O12  .84312 .83177 .93604     .00788 .00332 .00772 .00847 .00214  .00076 .00189
O13  .52551 .71191 .03936     .00860 .00782 .00853 .00988 .00496  .00362 .00453
O14  .06659 .72728 .06868     .00815 .00958 .00689 .00795 .00491  .00272 .00382
O15  .24054 .60582 .11124     .00724 .00785 .00853 .00698 .00686  .00162 .00119
O16  .74816 .60204 .12861     .00747 .00584 .00878 .00792 .00526  .00065 .00255
O17  .59950 .50029 .81427     .00792 .00773 .00950 .01125 .00725  .00310 .00562
O18  .93448 .50527 .21937     .00944 .00638 .00991 .00954 .00388  .00306 .00382
O19  .83356 .63351 .68068     .00757 .00620 .00462 .00978 .00233  .00378 .00249
O20  .67365 .36341 .33607     .00814 .00798 .00711 .00905 .00485  .00347 .00240
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 9
View in amc, download in amc

Return to AMCSD Home Page