American Mineralogist Crystal Structure Database

3 matching records for this search.

Chivruaiite
 
Men'shikov Y P, Krivovichev S V, Pakhomovsky Y A, Yakovenchuk V N,
Ivanyuk G Yu, Mikhailova J A, Armbruster T, Selivanova E A
Download am/vol91/AM91_922.pdf
American Mineralogist 91 (2006) 922-928
Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]·13-14H2O, a new mineral
from hydrothermal veins of Khibiny and Lovozero alkaline massifs
Locality: Chivruai River valley, Kola peninsula, Russia
_database_code_amcsd 0004161
7.1918 23.166 6.9472 90 90 90 Cmmm
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1       0 .13883  .2145  .35 .0320  .0165  .0247   .055      0      0   .014
Sr1       0 .13883  .2145 .025 .0320  .0165  .0247   .055      0      0   .014
Mn2     .25    .25     .5  .10  .024   .023   .037   .012   .008      0      0
Ca2     .25    .25     .5 .075  .024   .023   .037   .012   .008      0      0
K     -.856     .5     .5  .05  .120
Ba    -.856     .5     .5 .025  .120
Ti1     .25    .25      0  .78 .0172  .0224  .0156  .0137  .0067      0      0
Nb1     .25    .25      0  .22 .0172  .0224  .0156  .0137  .0067      0      0
Ti2     -.5     .5  .0319  .25  .020  .0171  .0106   .033      0      0      0
Si1       0 .33852 .27054      .0143  .0173  .0161  .0096      0      0 -.0002
Si2   .0962 .43567      0  .50 .0155  .0152  .0101  .0211 -.0007      0      0
O1        0     .5      0      .0235   .024   .011   .035      0      0      0
O2        0  .3454     .5      .0351   .068   .028   .010      0      0      0
O3        0 .21976      0 .696 .0192   .014   .016   .028      0      0      0
OH3       0 .21976      0 .304 .0192   .014   .016   .028      0      0      0
O4    .1851 .30653  .2009      .0341  .0191  .0407   .043  .0071  -.004  -.027
O5        0 .40438  .1893      .0350   .067  .0182   .020      0      0   .003
Wat6      0  .1986     .5       .072   .090   .071   .056      0      0      0
O7    .3179  .4387  .0420  .25  .024   .013   .020   .040  -.001   .000   .000
Wat8    -.5     .5   .414  .30  .064
O9      -.5     .5   .267 .174  .042
OH9     -.5     .5   .267 .076  .042
Wat10     0     .5     .5  .34   .13
Wat11   -.5  .5783     .5  .29  .080
Wat12  .413   .411      0  .12  .080
Wat13 -.340  .5686   .425  .19  .080
Wat14     0   .099   .166  .11  .080
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Yakovenchukite-(Y)
 
Krivovichev S V, Pakhomovsky Y A, Ivanyuk G Y, Mikhailova J A, Men'shikov Y P,
Armbruster T, Selivanova E A, Meisser N
Download am/vol92/AM92_1525.pdf
American Mineralogist 92 (2007) 1525-1530
Yakovenchukite-(Y), K3NaCaY2(Si12O30)(H2O)4, a new mineral from the Khibiny
massif, Kola Peninsula, Russia: a novel type of octahedral-tetrahedral
open-framework structure
Locality: Khibiny massif, Kola Peninsula, Russia
_database_code_amcsd 0004453
14.972 14.137 14.594 90 90 90 Pcca
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       .5  .2677   .25 .88  .041  .0308   .026   .065   .000   .026      0
K2    .0896  .2619 .1022 .94 .0384  .0180   .037   .061  .0046  .0013  .0041
Na      .25     .5 .0128      .042   .047   .053   .027  -.014      0      0
Ca1     .25      0 .0300     .0157  .0096   .020   .017  .0040      0      0
Ca2   .0392   .244  .006 .06  .013
Y1        0     .5    .5 .84 .0137  .0103  .0159  .0151 -.0002  .0008  .0006
Yb1       0     .5    .5 .16 .0137  .0103  .0159  .0151 -.0002  .0008  .0006
Y2        0      0    .5 .82 .0143  .0099  .0176  .0154  .0008  .0014  .0013
Yb2       0      0    .5 .18 .0143  .0099  .0176  .0154  .0008  .0014  .0013
Si1   .1252  .3588 .3440     .0149   .010   .011   .024 -.0004 -.0027 -.0027
Si2   .1215  .1434 .3510     .0161   .014   .019   .015 -.0007  .0012 -.0013
Si3   .1699  .6402 .3768     .0169  .0121   .019   .020 -.0023  .0013 -.0023
Si4   .1759 -.1359 .3717     .0141  .0120   .011   .020  .0003 -.0002 -.0021
Si5   .0972 -.0264 .2175     .0158  .0144   .017   .016 -.0007  .0003  .0015
Si6   .1452  .5182 .2019     .0207  .0159   .026   .020  .0008  .0001 -.0009
O1        0 -.0642   .25      .022   .013   .022   .030      0  -.005      0
O2    .1407  .6031 .2768      .025   .027   .025   .024   .000  -.004  -.007
O3    .1150  .0775 .2608      .019   .029   .015   .013   .005  -.005   .007
O4    .1142  .4183 .2503      .025   .019   .024   .031  -.003  -.008   .006
O5    .1667 -.1019 .2656      .017   .015   .026   .009   .003   .000  -.006
O6    .2233  .3810 .3887      .020   .016   .023   .020  -.004   .004  -.009
O7    .1234  .2500 .3074      .020   .019   .015   .025  -.005   .006  -.004
O8    .2185  .1219 .4007      .019   .005   .023   .030  -.003  -.003   .000
O9    .0445  .1289 .4250      .021   .016   .020   .027  -.005   .006   .004
O10   .0499  .3799 .4176      .020   .015   .030   .016  -.007   .002  -.003
O11   .1508  .7520 .3767      .022   .013   .019   .035   .003   .003   .004
O12   .0906  .5452 .1147      .028   .025   .039   .020  -.007  -.007   .002
O13   .1075 -.0264 .1103      .024   .031   .032   .010   .005  -.004   .005
O14   .1188  .5910 .4586      .023   .022   .022   .024  -.002   .003   .007
O15     .25     .5 .1732      .028   .021   .048   .017  -.002      0      0
O16   .1198 -.0744 .4401      .020   .015   .025   .018   .007   .002  -.005
Wat17 .4059  .2524 .0825      .057   .069   .038   .064   .008   .002   .009
Wat18 .2429  .1640 .1046      .041   .035   .059   .030   .020  -.006   .003
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View JMOL 3-D Structure
 
Ellingsenite
 
Yakovenchuk V N, Ivanyuk G Y, Pakhomovsky Y A, Selivanova E A, Mikhailova J A,
Krivovichev S V, Zolotarev A A, Zalkind O A
 
The Canadian Mineralogist 49 (2011) 1165-1173
Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species
from phonolite of the Aris alkaline complex, Namibia
Locality: Ariskop quarry, Aris alkaline complex, Namibia
Note: This is reported as an incomplete structure
_database_code_amcsd 0018739
9.576 9.577 16.438 85.85 75.23 60.142 P-1
atom      x      y      z occ  Uiso
Na1      .5      0     .5      .021
Na2   .8448 -.2128  .7107 .86  .017
Ca1   .3564 -.2907 -.5025     .0152
Ca2   .0818 -.8582 -.5130     .0125
Ca3   .7756 -.4159 -.4942 .55  .018
Na3   .7756 -.4159 -.4942 .45  .018
Si1   .4595 -.4440 -.2301     .0166
Si2   .8056 -.6630 -.3328     .0125
Si3   .2987  .4577 -.3268     .0139
Si4   .0501 -.0324 -.3309     .0114
Si5   .9247 -.4153 -.3246     .0147
Si6   .4183 -.1603 -.3312     .0128
Si7   .5453  .0888 -.3254     .0135
Si8   .7899 -.1100 -.2225     .0161
O1     .085 -.0778 -.4272      .015
O2     .930  -.365 -.4182      .033
O3     .664   .067 -.4171      .019
O4     .370   .479 -.4222      .021
O5     .815 -.6616 -.4293      .015
O6    .7816 -.1980 -.5624      .013
O7     .392   .271 -.3022      .021
O8     .757  -.091 -.1237      .042
O9     .870  -.550 -.3030      .021
O10    .932  -.841 -.3092      .018
O11    .638   .044 -.2506      .018
O12    .109   .496 -.3075      .021
O13    .495  -.231 -.4249      .017
O14    .308  -.438 -.2593      .019
O15    .963  -.121 -.2697      .020
O16    .625  -.606 -.2730      .023
O17    .454  -.018 -.3154      .018
O18    .214  -.072 -.3035      .019
O19    .482  -.291 -.2622      .020
O20    .802  -.272 -.2505      .023
O21    .421  -.440 -.1317      .041
Wat22  .385   .084  -.187 .25   .05
Wat23  .915  -.222  -.857 .73   .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 3
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