American Mineralogist Crystal Structure Database

6 matching records for this search.

Bartelkeite
Download hom/bartelkeite.pdf
Origlieri M J, Yang H, Downs R T, Posner E S, Domanik K J, Pinch W W
 
American Mineralogist 97 (2012) 1812-1815
The crystal structure of bartelkeite, with a revised chemical formula,
PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite
Locality: Tsumeb, Namibia
_database_code_amcsd 0019471
5.8279 13.6150 6.3097 90 127.314 90 P2_1/m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Pb   .32486    .75 .67674 .01488 .01415 .01555 .01618       0 .00984       0
Fe       .5      0      0 .00769 .00820 .00870 .00662 -.00161 .00473 -.00110
Ge1      .5      0     .5 .00773 .00759 .01004 .00554  .00282 .00397  .00176
Ge2  .96137 .12998 .99604 .00688 .00581 .00720 .00654  .00054 .00318  .00011
O1   .90129    .75 .93503 .01573 .01053 .00637 .02662       0 .00935       0
O2   .75120 .11152 .65453 .01284 .01201 .01457 .00844 -.00314 .00437 -.00011
O3   .78204 .38528 .13370 .01144 .01291 .01169 .01320  .00402 .00972  .00415
O4   .28375 .06250 .16104 .00884 .00831 .01187 .00631  .00528 .00441  .00316
O5H  .28929 .05245 .60363 .01156 .00871 .01797 .00741  .00372 .00457  .00174
O6W  .76173    .75 .32159 .02397 .02783 .01227 .03305       0 .01910       0
H1   .14279 .07756 .49540    .03
H2   .71283 .79771 .35539    .03
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Nioboaeschynite-(Ce)
Download hom/nioboaeschynitece.pdf
Morrison S M, Downs R T, Domanik K J, Yang H, Doell D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=64
Acta Crystallographica E68 (2012) i64-i65
Nioboaeschynite-(Ce), Ce(NbTi)O6
Locality: Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada
_database_code_amcsd 0019173
11.0563 7.560 5.3637 90 90 90 Pnma
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
CeA  .45727    .25 .03835  .31 .00893  .0122  .0059  .0087      0   .0005      0
NdA  .45727    .25 .03835  .14 .00893  .0122  .0059  .0087      0   .0005      0
LaA  .45727    .25 .03835  .12 .00893  .0122  .0059  .0087      0   .0005      0
PrA  .45727    .25 .03835  .04 .00893  .0122  .0059  .0087      0   .0005      0
SmA  .45727    .25 .03835  .02 .00893  .0122  .0059  .0087      0   .0005      0
YA   .45727    .25 .03835  .02 .00893  .0122  .0059  .0087      0   .0005      0
GdA  .45727    .25 .03835  .01 .00893  .0122  .0059  .0087      0   .0005      0
ThA  .45727    .25 .03835  .06 .00893  .0122  .0059  .0087      0   .0005      0
FeA  .45727    .25 .03835  .03 .00893  .0122  .0059  .0087      0   .0005      0
SrA  .45727    .25 .03835  .01 .00893  .0122  .0059  .0087      0   .0005      0
CaA'  .4338    .25   .050  .25   .018
NbB  .35726 .50690 .53830  .57 .01227 .01110 .01448 .01123 .00121 -.00065 .00082
TiB  .35726 .50690 .53830  .43 .01227 .01110 .01448 .01123 .00121 -.00065 .00082
O1    .2875  .4417  .8720       .0126  .0133  .0109  .0137  .0014   .0041  .0014
O2    .5259  .4615  .7310       .0105  .0127  .0096  .0091 -.0004   .0016  .0005
O3    .6221    .25  .3389       .0124  .0114  .0062  .0195      0   .0016      0
O4    .3560    .25  .4526       .0123  .0123  .0066  .0179      0   .0016      0
CeC   .1586    .25   .578 .038   .063
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Pirquitasite
Download hom/pirquitasite.pdf
Schumer B N, Downs R T, Domanik K J, Andrade M B, Origlieri M J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=8
Acta Crystallographica E69 (2013) i8-i9
Pirquitasite, Ag2ZnSnS4
Locality: Pirquitas, Jujuy Province, Argentina
_database_code_amcsd 0019767
5.7757 5.7757 10.8696 90 90 90 I-4
atom     x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1      0     0      0      .0364  .0360  .0360  .0372      0      0      0
Ag2      0    .5    .25 .87  .0301  .0274  .0274  .0355      0      0      0
Cu       0    .5    .25 .13  .0301  .0274  .0274  .0355      0      0      0
Zn      .5     0    .25 .61  .0220  .0248  .0248  .0163      0      0      0
Fe      .5     0    .25 .36  .0220  .0248  .0248  .0163      0      0      0
Cd      .5     0    .25 .03  .0220  .0248  .0248  .0163      0      0      0
Sn      .5    .5      0     .01176  .0114  .0114  .0125      0      0      0
S    .7325 .2526 .12847      .0214  .0250  .0212  .0181  .0053 -.0023  .0044
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Lanthanite-(Nd)
Download hom/lanthanitend.pdf
Morrison S M, Andrade M B, Wenz M D, Domanik K J, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=15
Acta Crystallographica E69 (2013) i15-i16
Lanthanite-(Nd), Nd2(CO3)3*8H2O
Locality: Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan
_database_code_amcsd 0019766
8.9391 9.4694 16.9374 90 90 90 Pccn
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Nd1     .25    .25 .25008 .475 .01450 .01417 .01111 .01822  .00172       0       0
La1     .25    .25 .25008 .305 .01450 .01417 .01111 .01822  .00172       0       0
Pr1     .25    .25 .25008 .085 .01450 .01417 .01111 .01822  .00172       0       0
Sm1     .25    .25 .25008 .060 .01450 .01417 .01111 .01822  .00172       0       0
Gd1     .25    .25 .25008 .040 .01450 .01417 .01111 .01822  .00172       0       0
Y1      .25    .25 .25008 .020 .01450 .01417 .01111 .01822  .00172       0       0
Eu1     .25    .25 .25008 .015 .01450 .01417 .01111 .01822  .00172       0       0
Nd2     .25    .75 .28045 .475 .01381 .01354 .01037 .01752 -.00126       0       0
La2     .25    .75 .28045 .305 .01381 .01354 .01037 .01752 -.00126       0       0
Pr2     .25    .75 .28045 .085 .01381 .01354 .01037 .01752 -.00126       0       0
Sm2     .25    .75 .28045 .060 .01381 .01354 .01037 .01752 -.00126       0       0
Gd2     .25    .75 .28045 .040 .01381 .01354 .01037 .01752 -.00126       0       0
Y2      .25    .75 .28045 .020 .01381 .01354 .01037 .01752 -.00126       0       0
Eu2     .25    .75 .28045 .015 .01381 .01354 .01037 .01752 -.00126       0       0
C1      .25    .75 .10611      .02115 .01760 .02236 .02348  .00313       0       0
C2   .45965 .49725 .28322      .01421 .01645 .01192 .01425  .00038 -.00127  .00139
O1   .32290 .65751 .14676      .01811 .01811 .01505 .02117  .00221 -.00168 -.00178
O2      .25    .75 .03271      .06879 .09507 .09436 .01694  .07007       0       0
O3   .02339 .38367 .20815      .02096 .02237 .01210 .02840  .00552 -.00162  .00007
O4   .02341 .61601 .23732      .02160 .01883 .01305 .03290 -.00389 -.00218 -.00293
O5   .31579 .49314 .29412      .01923 .01283 .01651 .02836  .00060  .00268  .00083
Wat1 .31701 .38197 .12154      .02315 .02801 .01592 .02553 -.00069  .00119 -.00117
Wat2 .11404 .32187 .37844      .02607 .01711 .03570 .02541 -.00099  .00073  .00060
Wat3 .12410 .64573 .40530      .03433 .03031 .04987 .02281 -.01530  .00076 -.00112
Wat4 .38784 .38886 .49720      .07490 .08902 .07672 .05895 -.02797  .03460 -.02871
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View JMOL 3-D Structure (permalink)
 
Agardite-(Y)
Download hom/agarditey.pdf
Morrison S M, Domanik K J, Origlieri M J, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=69&spage=61
Acta Crystallographica E69 (2013) i61-i62
Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O
Locality: Jote West mine, Pampa Larga Mining District, Copiapo, Chile
_database_code_amcsd 0019941
13.5059 13.5059 5.8903 90 90 120 P6_3/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)
Cu   .41303 .31598 .50234       .01132 .01830 .01532 .00424 .01134 .00056 .00033
Y       2/3    1/3    .25  .52   .0083 .01012 .01012 .00475 .00506      0      0
Er      2/3    1/3    .25  .02   .0083 .01012 .01012 .00475 .00506      0      0
Dy      2/3    1/3    .25  .01   .0083 .01012 .01012 .00475 .00506      0      0
Yb      2/3    1/3    .25  .01   .0083 .01012 .01012 .00475 .00506      0      0
Ho      2/3    1/3    .25  .01   .0083 .01012 .01012 .00475 .00506      0      0
Ca      2/3    1/3    .25  .43  .00833 .01012 .01012 .00475 .00506      0      0
As   .49505 .15100    .75 .828  .00864 .01157 .00857 .00544 .00478      0      0
P    .49505 .15100    .75 .172  .00864 .01157 .00857 .00544 .00478      0      0
O1   .57388 .18198 .51825       .01617 .01849 .02148 .01102 .01185 .00389 .00233
O2   .39187 .40074    .25       .01808 .02911 .02520 .00878 .02021      0      0
O3   .41239 .21229    .75       .01809 .02480 .01971 .01249 .01318      0      0
OH4  .36879 .37679    .75       .01748 .02666 .02297 .00889 .01697      0      0
OH5  .44213 .24557    .25       .02340 .04174 .02568 .01082 .02290      0      0
Wat1 .13381 .17032    .25 .768  .22229
Wat2      0      0     .5 .697 1.35578
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Metarossite
Download hom/metarossite.pdf
Kobsch A, Downs R T, Domanik K J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=72&spage=1280
Acta Crystallographica E72 (2016) 1280-1284
Redetermination of metarossite, CaV5+2O6*2H2O
Locality: Blue Cap mine, San Juan County, Utah, USA
_database_code_amcsd 0020635
6.2059 7.0635 7.7516 93.166 96.548 105.883 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)
Ca    .76198 .46290  .14941 .968 .01347 .01257 .01497 .01215 .00252  .00183  .00180
V1    .44830 .10219  .33436 .942 .00985 .01314 .00689 .00852 .00176  .00029  .00008
V2    .37324 .58262  .34627 .943 .00920 .01155 .00736 .00783 .00227 -.00091 -.00009
O1    .40476 .84797  .41681      .01664 .02508 .01093 .01229 .00370 -.00027  .00015
O2    .52482 .38667  .38662      .01327 .01503 .01121 .01325 .00425 -.00018 -.00021
OW3   .85213 .76371  .36687      .02623 .02640 .02282 .02687 .00343  .00125  .00288
O4    .10320 .47262  .33287      .01847 .01625 .01835 .01913 .00331 -.00053  .00142
O5    .18964 .06833  .23183      .02388 .02485 .01575 .02663 .00318 -.00760  .00017
O6    .62123 .11132  .19093      .02646 .03907 .01751 .02313 .00431  .01535  .00022
O7    .43045 .59975  .14080      .01860 .02204 .01948 .01457 .00689  .00091  .00193
OW8   .00442 .72245  .00603      .01890 .02250 .01544 .01564 .00165 -.00088  .00082
H1    .94305 .74965  .45527         .04
H2    .91127 .88151  .32691         .04
H3    .07556 .81965  .07351         .04
H4   -.06818 .77591 -.08228         .04
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Total number of retrieved datasets: 6
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