American Mineralogist Crystal Structure Database

4 matching records for this search.

Armenite
Download hom/armenite.pdf
Armbruster T, Czank M
Download am/vol77/AM77_422.pdf
American Mineralogist 77 (1992) 422-430
H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A
single-crystal X-ray and TEM study
sample from Remigny, Quebec, Canada
_database_code_amcsd 0001458
13.874 18.660 10.697 90 90 90 Pnna
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaC     .25      0  .0052          0.0233 0.0105 0.0100 0.0007      0      0
CaA   .2714 -.1679 -.4990          0.0251 0.0101 0.0092 -.0014 0.0000 0.0000
Al11    .75      0  .4977      .78
Si12  .2461    .75    .75  .5  0.6
Al12  .2461    .75    .75  .5  0.6
Si13  .2456    .75    .25  .5  1.0
Al13  .2456    .75    .25  .5  1.0
Si21  .1161 -.0435 -.2914      .77
Si22  .3879  .1237  .2113  .5  .80
Al22  .3879  .1237  .2113  .5  .80
Si23  .3826 -.1209 -.2052  .5  .84
Al23  .3826 -.1209 -.2052  .5  .84
Si24  .1137 -.1655 -.0802  .5  .71
Al24  .1137 -.1655 -.0802  .5  .71
Si25  .1149  .1630  .0859  .5  .81
Al25  .1149  .1630  .0859  .5  .81
Si26  .6104  .0404  .7050      .77
WatB -.0523 -.1748  -.507           0.024  0.037  0.037  0.001  0.003  0.022
O31   .3134 -.2678  -.623      1.0
O32   .3131 -.1779  -.288      0.9
O33   .1823 -.0618  -.413      0.7
O34   .1813 -.2620  -.381      0.9
O35   .1790 -.1795  -.699      1.1
O36   .3257 -.0570  -.582      1.1
O21    .137 -.0988  -.180      2.1
O22   .3588  .1337   .061      1.3
O23   .3571 -.1264  -.052      1.7
O24    .138  .0955   .184      2.0
O25    .360  .0376   .243      2.1
O26   .8554 -.0347   .238      1.4
O11    .003  .1396  .7588      1.3
O12    .502  .9557  .3300      1.3
O13    .501  .3097  .5873      1.2
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Biehlite
Download hom/biehlite.pdf
Adiwidjaja G, Friese K, Klaska K H, Schluter J, Czank M
Download zk/vol215/ZK215_529.pdf
Zeitschrift fur Kristallographie 215 (2000) 529-535
Crystal structure and crystal chemistry of biehlite, Sb1.79As0.21MoO6
Locality: Tsumeb mine Namibia
_database_code_amcsd 0011087
18.0760 5.920 5.083 90 96.97 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)
Sb   .16349 .20178 .69755 .895 .0233  .0198  .0293  .0203  -.0012   .0010 -.0015
As   .16349 .20178 .69755 .105 .0233  .0198  .0293  .0203  -.0012   .0010 -.0015
Mo        0 .19289    .25      .0158  .0188  .0155  .0128       0   .0005      0
O1    .1950  .0857  .3709      .0257   .028   .031   .019   -.011    .007  -.008
O2    .0594  .0974  .5824      .0195   .020   .024   .013   -.007   -.003  -.002
O3    .0656  .3670  .1473      .0246   .027   .024   .022   -.008    .000   .005
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Charoite
Download hom/charoite.pdf
Rozhdestvenskaya I, Mugnaioli E, Czank M, Depmeier W, Kolb U, Reinholdt A, Weirich T
 
Mineralogical Magazine 74 (2010) 159-177
The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O,
solved by conventional and automated electron diffraction
Note: this is polytype charoite-90
Locality: Murun massif, Yakutiya, Russia
_database_code_amcsd 0017698
31.96 19.64 7.09 90 90.0 90 P2_1/m
atom      x     y     z occ Uiso
K1    .4857   .25 .1277     .051
K2    .5984   .25 .6310     .051
K3    .7397 .1140 .6273     .074
K4    .3562   .25 .8515 .57 .088
BaK4  .3562   .25 .8515 .16 .088
MnK4  .3562   .25 .8515 .18 .088
K5    .6903   .25  .135 .55 .096
K6    .2060 .0453 .8787 .79 .054
K7    .0495  .196  .870 .12 .016
Sr    .3419   .25  .380 .50 .078
CaNa1 .9654 .0640 .6206 .36 .058
Na1   .9654 .0640 .6206 .64 .058
CaNa2 .9668 .0759 .1341 .05 .060
Na2   .9668 .0759 .1341 .95 .060
Ca1   .8769 .1474 .3786     .058
Ca2   .8780 .1446 .8814     .057
Ca3   .5412 .0429 .8787     .052
Ca4   .5415 .0397 .3768     .045
Ca5   .3478 .0715 .1215     .053
Ca6   .3484 .0706 .6257     .057
Si1   .4975 .1754 .6261     .068
Si2   .4425 .1033 .3372     .048
Si3   .4418 .1051 .9050     .057
Si4   .5881 .1723 .1272     .055
Si5   .6399 .1039 .4197     .044
Si6   .6381 .1014 .8464     .069
Si7   .7036 .0558 .1332     .051
Si8   .7858 .1385 .1249     .044
Si9   .7921   .25  .838     .083
Si10  .7918   .25  .416     .053
Si11  .2660 .1753 .6606     .068
Si12  .2662 .1792 .0792     .056
Si13  .2518 .0672 .3719     .063
Si14  .8288 .0161 .6262     .052
Si15  .1059 .0259 .0964     .040
Si16  .1072 .0236 .6504     .062
Si17  .0573 .1071 .3699     .063
Si18  .0202   .25 .3784     .021
Si19  .9469   .25 .0906     .105
Si20  .9479   .25 .6600     .080
O1    .5136   .25  .632     .065
O2    .4665 .1712  .800     .071
O3    .4642 .1637  .452     .074
O4    .5340 .1251  .620     .072
O5    .4467 .1271  .114     .116
O6    .3943 .1112  .392     .073
O7    .4672 .0316  .386     .076
O8    .3915 .1087  .866     .062
O9    .4664 .0352  .869     .060
O10   .5717   .25  .112     .075
O11   .6170 .1664  .311     .045
O12   .6164 .1687  .956     .072
O13   .5504 .1215  .138     .072
O14   .6871 .1021  .310     .052
O15   .6516 .1308  .633     .099
O16   .6146 .0357  .417     .079
O17   .6839 .0952  .955     .081
O18   .6132 .0321  .862     .072
O19   .7539 .0732  .129     .057
O20   .3087 .0188  .872     .086
O21   .7683 .1888  .317     .062
O22   .7725 .1845  .949     .081
O23   .8326 .1144  .132     .077
O24   .7794   .25  .629     .044
O25   .8433   .25  .866     .056
O26   .8407   .25  .390     .047
O27   .2489   .25  .590     .089
O28   .2418 .1164  .549     .054
O29   .2493 .1674  .869     .075
O30   .3163 .1777  .627     .074
O31   .2452   .25  .167     .054
O32   .2409 .1193  .183     .080
O33   .3180 .1759  .101     .076
O34   .2218 .0062  .360     .037
O35   .2977 .0451  .388     .102
O36   .1529 .0162  .186     .083
O37   .1517 .0180  .548     .075
O38   .8352 .0925  .638     .084
O39   .0835 .0881  .193     .077
O40   .1135 .0468 .8681     .049
O41   .9212 .0443  .890     .062
O42   .9191 .0434  .365     .069
O43   .0853 .0872  .556     .084
O44   .0510 .1842  .366     .086
O45   .0157 .0603  .371     .066
O46   .9919   .25  .185     .106
O47   .9941   .25  .567     .135
O48   .9655   .25  .879     .048
O49   .9256 .1811  .131     .070
O50   .9249 .1809  .620     .058
OH    .0200  .054  .901  .5 .154
FOH   .0200  .054  .901  .5 .154
Wat1  .7140   .25  .602 .31 .013
Wat2  .1754 .2115  .339 .46 .043
Wat3   .400   .25  .547 .36 .060
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Charoite
Download hom/charoite.pdf
Rozhdestvenskaya I V, Mugnaioli E, Czank M, Depmeier W, Kolb U, Merlino S
 
Mineralogical Magazine 75 (2011) 2833-2846
Essential features of the polytypic charoite-96 structure compared to charoite-90
Note: This structure is polytype charoite-96
Locality: Murun massif in Yakutia, Sakha Republic, Siberia, Russia
_database_code_amcsd 0018568
32.11 19.77 7.23 90 95.85 90 P2_1/m
atom       x      y    z occ Uiso
Na(1)  .9601  .0686 .364 .94 .031
Na(2)  .9649  .0708 .845 .89 .025
Ca(1)  .8773 .14569 .569     .052
Ca(2)  .8731  .1464 .065     .032
Ca(3)  .5411  .0442 .896     .048
Ca(4)  .5413  .0434 .395     .025
Ca(5)  .3514  .0663 .050     .043
Ca(6)  .3481  .0697 .542     .020
K(1)   .4834    .25 .605     .045
K(2)   .5963    .25 .185     .092
K(3)   .7364  .1201 .248 .85 .038
K(4)   .3584    .25 .306     .083
K(5)   .6971    .25 .761 .92 .051
K(6)   .2002   .051 .189 .48 .052
Sr     .3608    .25 .849 .69 .056
Si(1)  .4953  .1717 .134     .026
Si(2)  .4392  .0965 .383     .068
Si(3)  .4413  .1030 .815     .045
Si(4)  .5866  .1741 .662     .030
Si(5)  .6409  .1029 .413     .045
Si(6)  .6408  .1039 .987     .040
Si(7)  .6966  .0578 .712     .035
Si(8)  .7849  .1440 .765     .047
Si(9)  .7910    .25 .050     .018
Si(10) .7941    .25 .482     .030
Si(11) .2667  .1775 .481     .052
Si(12) .2638  .1794 .041     .026
Si(13) .2558  .0671 .736     .049
Si(14) .8271  .0144 .299     .075
Si(15) .1048  .0245 .945     .026
Si(16) .1046  .0245 .392     .070
Si(17) .0561  .1051 .660     .059
Si(18) .0209    .25 .652     .016
Si(19) .9429    .25 .885     .035
Si(20) .9448    .25 .318     .073
O(1)    .511    .25 .159     .080
O(2)    .466   .157 .946     .035
O(3)    .464   .166 .302     .041
O(4)    .532   .120 .137     .060
O(5)    .438   .125 .592     .078
O(6)   .3908   .100 .308     .084
O(7)    .472   .035 .395     .059
O(8)    .393   .112 .803     .049
O(9)    .466   .032 .870     .039
O(10)   .571    .25 .724     .120
O(11)  .6151   .163 .487     .038
O(12)   .609   .163 .885     .034
O(13)   .550   .119 .632     .042
O(14)  .6845   .103 .538     .019
O(15)   .649   .132 .205     .041
O(16)   .616   .033 .386     .064
O(17)   .685   .091 .894     .062
O(18)   .613   .040 .948     .064
O(19)  .7473   .081 .736     .017
O(20)   .306   .025 .272     .066
O(21)   .776   .183 .565     .037
O(22)  .7713   .184 .939     .036
O(23)   .834   .116 .777     .088
O(24)   .777    .25 .264     .080
O(25)   .841    .25 .073     .063
O(26)   .844    .25 .537     .020
O(27)   .249    .25 .516     .024
O(28)   .242   .113 .553     .056
O(29)   .249   .171 .248     .075
O(30)   .313   .176 .518     .045
O(31)   .246    .25 .941     .081
O(32)   .251   .125 .890     .093
O(33)   .313   .187 .030     .035
O(34)   .221   .009 .745     .046
O(35)   .300   .031 .765     .095
O(36)   .150   .032 .851     .058
O(37)   .147   .012 .516     .034
O(38)   .836   .098 .298     .062
O(39)   .082   .086 .843     .077
O(40)   .111   .043 .172     .082
O(41)   .920   .044 .079     .060
O(42)   .915   .045 .607     .049
O(43)   .081   .089 .476     .039
O(44)  .0519   .186 .628     .033
O(45)   .014   .058 .634     .064
O(46)   .987    .25 .795     .036
O(47)   .980    .25 .492     .080
O(48)   .958    .25 .107     .130
O(49)   .925   .176 .841     .061
O(50)   .920   .176 .334     .088
OH      .007   .047 .143  .5 .092
F       .007   .047 .143  .5 .092
Wat     .697    .25 .261 .41 .180
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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