American Mineralogist Crystal Structure Database

6 matching records for this search.

Meurigite-K
 
Kampf A R, Pluth J J, Chen Y S
Download am/vol92/AM92_1518.pdf
American Mineralogist 92 (2007) 1518-1524
The crystal structure of meurigite
Locality: Santa Rita mine, Grant County, New Mexico
_database_code_amcsd 0004452
29.018 5.1892 19.695 90 106.987 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)
K1   .4309  .548 .4743 .264  .096   .087   .150   .041   .052   .001   .009
K2   .4150  .308 .4687 .198  .061   .076   .069   .031  -.032   .005   .011
Fe1  .3257 .4157 .6374 .937 .0063  .0070  .0040  .0077  .0006  .0019 -.0001
Fe2  .3785 .3837 .7894 .938 .0065  .0070  .0043  .0082 -.0003  .0022  .0003
Fe3  .4504 .1396 .6688 .922 .0058  .0055  .0044  .0071  .0001  .0014  .0000
Fe4  .2952 .1875 .8794 .929 .0070  .0068  .0055  .0088 -.0008  .0024  .0005
P1   .3514 .9314 .5494 .927 .0051  .0051  .0037  .0064 -.0004  .0015 -.0011
P2   .3053 .9043 .7390 .866 .0040  .0045  .0009  .0069 -.0001  .0024 -.0006
P3   .4459 .8815 .8119 .934 .0058  .0059  .0038  .0076 -.0008  .0019  .0009
O1   .4041 .9978 .5846      .0141   .008   .017   .016  -.002   .001  -.003
O2   .3418 .9391 .4688      .0127   .013   .014   .011  -.002   .003  -.001
O3   .3182 .1243 .5720      .0152   .016   .013   .017   .001   .005  -.006
O4   .3398 .6584 .5710      .0156   .021   .009   .017  -.002   .006   .004
O5   .2529 .8770 .6957      .0154   .009   .014   .019   .001  -.001  -.007
O6   .3117 .9129 .8204      .0146   .021   .007   .018  -.001   .009   .000
O7   .3269 .1619 .7199      .0118   .015   .008   .012  -.001   .004   .001
O8   .3347 .6691 .7237      .0105   .012   .009   .011   .001   .004   .001
O9   .4167 .0966 .8328      .0161   .021   .011   .017   .008   .007   .004
O10  .4299 .6221 .8344      .0139   .018   .008   .015  -.005   .004   .003
O11  .4379 .8738 .7312      .0134   .017   .012   .012  -.003   .004   .001
O12  .5004 .9152 .6473      .0154   .009   .019   .017   .001   .002  -.004
OH1  .2564 .4681 .6052      .0146   .009   .012   .023   .001   .004  -.005
OH2  .3991 .3834 .6920      .0110   .011   .008   .013   .001   .002   .001
OH3  .3444 .4240 .8609      .0110   .013   .007   .014  -.002   .007   .000
OH4     .5 .3041   .75      .0127   .012   .012   .012      0   .000      0
Wat1 .2770 .4744 .9450      .0155   .015   .016   .016   .005   .004  -.001
Wat2 .4636 .4287 .6062      .0251   .037   .016   .019  -.013   .004   .003
Wat3 .4515 .9870 .4807 .903  .167   .061   .432   .014  -.092   .021  -.030
Wat4    .5     0    .5 .629  .106   .183   .120   .025   .000   .045   .020
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View JMOL 3-D Structure (permalink)
 
Kapundaite
 
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A,
Raudsepp M, Chen Y S
 
American Mineralogist 95 (2010) 754-760
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from
Toms quarry, South Australia: Description and structural
relationship to melonjosephite
Locality: Toms quarry, South Australia
_database_code_amcsd 0018799
6.317 7.698 9.768 105.53 99.24 90.09 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)
Na    .439 .7184 .4298 .67 .056    .12   .016   .028   .004   .009   .008
Ca    .439 .7184 .4298 .33 .056    .12   .016   .028   .004   .009   .008
Fe1     .5     0     0     .013    .02   .018   .004  -.009   .002   .003
Fe2      0     0     0     .017    .03   .017   .003   .003   .002   .004
Fe3  .7976 .6972 .1730     .024    .02   .016   .033  -.003   .010   .003
P1    .177 .8785 .7118     .015    .01   .013   .026   .005   .009   .005
P2    .278 .6868 .1002     .021    .02   .012   .033   .002   .006   .010
O1    .832  .940  .323     .021    .02   .020   .024  -.010  -.003   .008
O2    .157  .723  .572     .023    .03   .015   .028   .001   .014  -.001
O3    .011  .143  .204     .034    .06   .019   .029   .002   .018   .007
O4    .414  .861  .802     .046    .09   .019   .026  -.025  -.007   .004
O5    .482  .686  .191     .019
O6    .114  .683  .195     .020
O7    .771  .463  .038     .024
O8    .262  .871  .059     .017    .01   .018   .031   .002   .009   .012
OH    .242  .165  .976     .027    .03   .029   .027  -.013  -.003   .013
Wat1  .831  .611  .372     .035    .07   .024   .023   .002   .007   .019
Wat2  .351  .394  .349      .05    .08   .044   .036   -.02   .005   .004
Wat3  .669  .979  .584      .06    .11   .011   .054    .02   .005   .013
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Favreauite
 
Mills S J, Kampf A R, Christy A G, Housley R M, Thorne B, Chen Y S, Steele I M
 
European Journal of Mineralogy 26 (2014) 771-781
Favreauite, a new selenite mineral from the El Dragon mine, Bolivia
Note: T = 100 K
Locality: El Dragon mine, Potosi Department, Bolivia
_database_code_amcsd 0020444
9.860 9.860 9.700 90 90 90 *P4/n
.25 -.25 0
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     .75    .25      1   .95 .01474 .01472 .01472  .0148      0      0      0
Ca1     .75    .25      1   .17 .01474 .01472 .01472  .0148      0      0      0
Bi2     .75    .75 .51701    .9 .00427 .00424 .00424  .0043      0      0      0
Cu1      .5     .5     .5 .9683  .0096  .0120  .0094  .0075 -.0039  .0013  .0013
Cu2  .73943 .51655 .27943 .9683 .01080  .0094  .0128  .0102 -.0001  .0006 -.0047
Se   .56624 .53945 .82772       .00979  .0105  .0104  .0084 -.0047 -.0003 -.0009
O1    .6097  .6215  .3859        .0071   .007   .006   .008 -.0026 -.0005 -.0002
O2    .3974  .5656  .8447        .0192   .007   .029   .022   .000  -.002  -.012
O3    .6010  .5667  .6605        .0253   .026   .041   .008  -.024   .000   .007
O4    .5787  .3661  .8419        .0183   .021   .014   .019  -.001  -.015   .000
Wat5    .25    .25  .8979         .030   .034   .034   .021      0      0      0
OH6   .6781  .3367  .4365   .20   .063   .047   .084   .059   .050   .033   .043
OH7     .75    .25     .5   .20   .033   .032   .032   .033      0      0      0
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View JMOL 3-D Structure (permalink)
 
Colinowensite
 
Chen Y, Zhang Y, Feng S
 
Dyes and Pigments 105 (2014) 167-173
Hydrothermal synthesis and properties of pigments
Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
Locality: synthetic
_database_code_amcsd 0020059
9.97511 9.97511 22.2887 90 90 90 *I4_1/acd
0 -.25 .125
atom      x     y      z Biso
Ba      .25 .9902     .5  .05
Cu        0   .25 .06309  .06
Si    .2776 .7525   .876  .05
O1     .207  .721  .8164  .09
O2     .374  .876  .8607  .06
O3    .3164 .7803  .0645  .02
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Scottyite
 
Chen Y, Zhang Y, Feng S
 
Dyes and Pigments 105 (2014) 167-173
Hydrothermal synthesis and properties of pigments
Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7
Locality: synthetic
_database_code_amcsd 0020060
6.86317 13.1773 6.86317 90 90 90 Pnma
atom      x     y      z Biso
Ba   -.0133   .25  .9565  .02
Cu    .2208 .0034  .7919  .02
Si   -.0027 .1357  .4727  .03
O1     .097   .25   .485  .01
O2    -.183 .1344  .6283  .02
O3    -.070 .1092  .2363  .02
O4    .1650 .0632   .531  .04
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bobmeyerite
 
Kampf A R, Pluth J J, Chen Y S, Roberts A C, Housley R M
 
Mineralogical Magazine 77 (2013) 81-91
Bobmeyerite, a new mineral from Tiger, Arizona, USA, structurally related
to cerchiaraite and ashburtonite
Locality: Tiger mine, Arizona, USA
_database_code_amcsd 0019796
13.969 14.243 5.893 90 90 90 Pnnm
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  .72313 .48502     0      .0312  .0477  .0294  .0163 -.0031      0      0
Pb2  .51318 .71552     0      .0300  .0354  .0381  .0166 -.0036      0      0
Al    .7684  .2688 .7506  .82 .0226   .033   .029   .006   .013   .001 -.0006
Cu    .7684  .2688 .7506  .18 .0226   .033   .029   .006   .013   .001 -.0006
Si1   .5942  .6270    .5      .0202   .025   .028   .008  -.006      0      0
Si2   .6296  .4081    .5      .0184   .032   .016   .008   .008      0      0
O1    .6323  .5200    .5       .031   .040   .023   .030  -.002      0      0
O2    .4787  .6313    .5       .028   .030   .036   .018  -.016      0      0
O3    .6314  .6780  .274       .024   .041   .025   .004  -.017   .000   .000
O4    .6803  .3691  .728       .021   .025   .026   .013  -.002  -.004  -.005
OH5   .7036  .2162     0       .035   .035   .044   .027   .007      0      0
OH6   .7105  .2051    .5       .034   .033   .026   .042   .007      0      0
OH7   .6591  .8225     0       .025   .014   .030   .031   .008      0      0
OH8   .8258  .3398     0       .039   .017   .061   .038   .013      0      0
Cl       .5     .5     0      .030   .044   .031   .016  -.001      0      0
Wat9   .630   .028     0  .75   .17
S9     .630   .028     0 .125   .17
Si9    .630   .028     0 .125   .17
O9     .630   .028     0   .5   .17
Wat10  .032   .366     0  .75   .22
S10    .032   .366     0 .125   .22
Si10   .032   .366     0 .125   .22
O10    .032   .366     0   .5   .22
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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