American Mineralogist Crystal Structure Database

6 matching records for this search.

Yuksporite
Download hom/yuksporite.pdf
Krivovichev S V, Yakovenchuk V N, Armbruster T, Dobelin N, Pattison P, Weber H-P, Depmeier W
Download am/vol89/AM89_1561.pdf
American Mineralogist 89 (2004) 1561-1565
Porous titanosilicate nanorods in the structure of yuksporite,
(Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n,
resolved using synchrotron radiation
Sample: Kola peninsula, Russia
_database_code_amcsd 0003651
7.126 24.913 17.075 90 101.89 90 P2_1/m
atom       x      y      z occ  Uiso
Ti1    .1754 .59949  .0992 .80  .008
Nb1    .1754 .59949  .0992 .20  .008
Ti2   -.6751 .59968  .4004 .75  .020
Nb2   -.6751 .59968  .4004 .25  .020
Si1   -.1835  .6319 -.0579      .014
Si2   -.8749  .6333  .5566      .020
Si3   -.0272  .5414  .2471      .020
Si4   -.6302  .6324 -.0584      .016
Si5    .0419  .6874 -.1648      .022
Si6   -.5417  .6891  .6629      .016
Si7    .5259  .5442  .2476      .007
Si8   -.3152  .6335  .5563      .015
Si9   -.6591  .6881  .2500      .016
Sr1   -.3119  .6337  .1271 .35  .012
Ba1   -.3119  .6337  .1271 .15  .012
Sr2   -.1863  .6332  .3752 .35  .008
Ba2   -.1863  .6332  .3752 .15  .008
K1    -.0560    .75 -.3617 .90  .021
K2    -.4425    .75 -.1352 .95  .038
Ba2   -.4425    .75 -.1352 .05  .038
K3     .1902    .75  .0472 .60  .036
K4    -.6430    .75  .4511 .90  .070
K5     .0889    .75  .0476 .40  .031
Na1A  -.1885  .6082  .3830 .50  .005
Na2A  -.3189  .6097  .1054 .50  .030
Na3A  -.9222  .4848  .4125 .75  .013
Ca3A  -.9222  .4848  .4125 .25  .013
Ca1B   .2479  .5873 -.2500     .0146
Ca2B   .0767  .5177 -.0915 .70  .010
Na2B   .0767  .5177 -.0915 .30  .010
Ca3B  -.2491  .5851 -.2499      .015
Ca4B  -.4213  .5163 -.0831 .50  .020
Na4B  -.4213  .5163 -.0831 .50  .020
Ca5B  -.4237  .4826  .4110 .80  .030
Na5B  -.4237  .4826  .4110 .20  .030
MnM   -.2532    .75  .2424 .15  .054
FeM   -.2532    .75  .2424 .10  .054
O1     .4922  .5223 -.2541      .032
O2    -.6784  .4232  .3872      .012
O3     .0050  .6483 -.2381      .034
O4    -.5099  .6449  .7320      .010
O5    -.0116  .4794  .2479      .026
O6    -.6730  .5801 -.1130      .032
O7    -.6206  .5344  .4595      .010
O8     .1427  .5373  .0446      .010
OH9   -.6310  .4644 -.0463      .010
OH10  -.1454  .5359  .4488      .010
O11   -.1951  .5804 -.1031      .010
O12   -.8177  .5794  .6045      .010
O13   -.7554    .75  .2536      .038
O14   -.5332    .75  .6948      .034
O15   -.6560  .6297  .0333      .018
O16   -.4460  .6325  .4665      .016
O17   -.1207  .6880 -.1051      .023
O18   -.5105  .5697  .3312      .016
O19   -.0716  .6329  .0291      .046
O20   -.3925  .6514 -.0434      .042
O21   -.8293  .6331  .4682      .011
O22   -.1003  .6491  .5519      .010
O23   -.7397  .6862 -.1083      .039
O24    .0144  .5659  .1678      .024
O25   -.3915  .6801  .6046      .010
O26    .4059  .5637  .1673      .022
O27   -.2740  .5594  .2416      .005
O28    .0890  .5693  .3301      .025
O29    .0303    .75 -.2011      .002
O30   -.7571  .6820  .6058      .004
O31   -.1671    .75  .4211      .010
O32    .2116  .6637  .1684      .027
O33   -.7124  .6635  .3297      .024
O34   -.4310  .6918  .2469      .119
Wat35 -.0783  .6870  .2321 .59  .100
Wat36  -.349    .75  .0981 .56  .100
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Shafranovskite
Download hom/shafranovskite.pdf
Krivovichev S V, Yakovenchuk V N, Armbruster T, Pakhomovsky Y A,
Weber H-P, Depmeier W
Download am/vol89/AM89_1816.pdf
American Mineralogist 89 (2004) 1816-1821
Synchrotron X-ray diffraction study of the structure of shafranovskite,
K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate
from Kola peninsula, Russia
Locality: Kola peninsula, Russia
_database_code_amcsd 0003660
14.519 14.519 21.062 90 90 120 P31c
atom      x     y      z occ  Uiso
Na1   .0681 .5602  .7052      .043
Na2   .2252 .8230  .7248      .043
Na3   .9206 .4395  .4498      .096
K1    .1909 .7494  .4561      .081
K2    .1464 .9166  .9865 .90  .068
Mn1   .9629 .7169 .71758      .033
Mn2   .9150 .2978 .71055      .030
Mn3   .8563 .8767  .7376 .82  .041
Mn4   .8092 .4569 .69027 .80  .028
Si1   .9527 .6271  .5734     .0353
Si2       0     0  .6080      .033
Si3   .9511 .8083  .8625      .051
Si4   .0546 .6703  .8464     .0411
Si5   .0996 .8621  .5978     .0353
Si6   .7082 .5229  .5676     .0353
Si7   .9916 .2923  .8547      .043
Si8   .8978 .4320  .8288     .0393
Si9   .0563 .3964  .5849     .0343
Si10    2/3   1/3  .8197      .038
Si11    2/3   1/3  .4923 .72  .035
O1    .0964 .8446  .6737      .041
O2    .9496 .6004  .6452      .043
O3    .0464 .3989  .6572      .044
OH4   .8408 .7411  .6739      .051
O5    .8824 .9240  .5775      .033
O6    .6627 .6002  .5506      .050
OH7   .8156 .5869  .7518      .043
OH8   .1314 .5110  .5521      .060
O9    .2125 .8924  .5651      .037
OH10  .0893 .3668  .8974      .075
O11   .0655 .6929  .7722      .039
O12   .7980 .3095  .6395      .067
O13   .8262 .7504  .8825      .060
OH14  .1570 .7087  .8844      .065
OH15    2/3   1/3  .4164 .72  .055
O16   .9745 .8456  .7891      .068
O17   .7149 .7277  .7802      .044
O18       0     0  .6826      .041
OH19  .0100 .9045  .9110      .069
OH20  .0076 .5850  .5232      .045
O21   .0892 .4307  .3646      .046
O22   .6471 .4233  .5196      .048
O23   .9856 .7203  .8785      .059
O24   .7546 .1695  .5481      .046
Wat25 .4569 .7811  .6385      .086
O26   .0096 .7536  .5616      .040
O27     2/3   1/3  .7425      .044
O28   .9087 .4267  .7557      .040
O29   .9853 .5450  .8638      .045
Wat30 .3500 .7967  .7853      .080
O31   .7811 .4129  .8491      .049
Wat32   1/3   2/3  .4932      .174
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Congolite
Download hom/congolite.pdf
Mendoza-Alvarez M E, Yvon K, Depmeier W, Schmid H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=1551
Acta Crystallographica C41 (1985) 1551-1552
Structure refinement of trigonal iron-chlorine boracite
Locality: synthetic
_database_code_amcsd 0019541
8.6231 8.6231 21.0503 90 90 120 R3c
atom      x      y       z   Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Fe   .14727 .29642   .3270 .00692 .00202 .00289 .00035 .00146 .00017  .00040
Cl        0      0  .26630 .01217 .00375 .00375 .00068 .00188      0       0
Bl    .1636 -.1655  .08261  .0048  .0015  .0017 .00029  .0011 .00007 -.00008
B2    .1002 -.1027 -.02895  .0045  .0012  .0016 .00024  .0006 .00001  .00001
B3        0      0   .1018  .0061  .0018  .0018 .00036  .0009      0       0
O1        0      0 -.01215  .0039 .00110 .00110 .00024 .00055      0       0
O21  -.1593 -.0008  .10509  .0050 .00079 .00137 .00036 .00034 .00006 -.00009
O22   .2888  .2591 -.03720  .0046 .00114 .00154 .00025 .00057 .00007 -.00012
O23   .2003 -.0231 -.08789  .0043 .00155 .00121 .00016 .00030 .00011 -.00001
O24  -.3045 -.2246  .02118  .0046 .00175 .00120 .00020 .00048 .00012  .00000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Yeelimite
Download hom/yeelimite.pdf
Saalfeld H, Depmeier W
 
Kristall und Technik 7 (1972) 229-233
Silicon-free compounds with sodalite structure
Note: Very short S-O bondlength of 1.26 angstroms
Locality: synthetic
_database_code_amcsd 0014178
9.205 9.205 9.205 90 90 90 I-43m
atom     x     y     z occ
Ca1   .170  .170  .170  .5
Ca2   .241  .241  .241  .5
Al     .25    .5     0
S        0     0     0
O1    .163  .163  .444
O2   -.079 -.079 -.079
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, 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)
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: 6
View in amc, download in amc

Return to AMCSD Home Page