American Mineralogist Crystal Structure Database

2 matching records for this search.

Natronambulite
Download hom/natronambulite.pdf
Nagashima M, Armbruster T, Kolitsch U, Pettke T
 
American Mineralogist 99 (2014) 1462-1470
The relation between Li <-> Na substitution and hydrogen bonding in five-periodic
single-chain silicates nambulite and marsturite: A single-crystal X-ray study
Locality: Gozaisho mine, Iwaki, Japan
_database_code_amcsd 0020224
7.6115 11.7340 6.7324 92.876 94.846 106.650 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)
NaM5  .67662  .14334 .37012 .724  .0186  .0110  .0271  .0159   .0029   .0025 -.0017
LiM5   .6451   .1123   .328 .276  .0186  .0110  .0271  .0159   .0029   .0025 -.0017
MnM1  .59207 .653701 .06309      .00988 .00860 .01079 .00917  .00098  .00129 .00097
MnM2  .80995 .941407 .12595      .00992 .01043 .00954 .00970  .00258  .00196 .00050
MnM3  .04032 .235201 .17572  .78 .00907 .00878 .00843 .00972  .00198  .00117 .00079
MgM3  .04032 .235201 .17572  .22 .00907 .00878 .00843 .00972  .00198  .00117 .00079
MnM4  .24236  .51541 .26632 .788 .01396 .01114 .01402 .01337 -.00088 -.00135 .00102
Ca4   .24236  .51541 .26632 .212 .01396 .01114 .01402 .01337 -.00088 -.00135 .00102
Si1   .27118  .05933 .35868      .00779 .00890 .00650 .00737  .00152  .00023 .00048
Si2   .46769  .32896 .42677      .00794 .00906 .00698 .00650  .00034  .00042 .00098
Si3   .81426  .45278 .21928      .00730 .00693 .00734 .00770  .00197  .00108 .00151
Si4   .00041  .72396 .30440      .00734 .00744 .00653 .00758  .00148  .00013 .00048
Si5   .34520  .85400 .12056      .00749 .00681 .00856 .00727  .00262  .00044 .00054
O1    .18836  .00843 .56095      .01305  .0165  .0123  .0088   .0011   .0032  .0018
O2    .11946  .06725 .18303      .00978  .0102  .0118  .0079   .0044   .0000  .0006
O3    .42790  .18450 .42510       .0165  .0211  .0072  .0162  -.0016  -.0061  .0020
O4    .32721  .35159 .25068      .01014  .0093  .0116  .0090   .0023   .0002  .0014
O5    .52935  .61187 .35476      .01261  .0147  .0141  .0083   .0031   .0017 -.0004
O6    .68649  .37629 .38082      .01264  .0091  .0160  .0133   .0032   .0026  .0072
O7    .97520  .39628 .17223      .01464  .0144  .0158  .0171   .0086   .0051  .0030
O8    .67927  .46847 .03237      .01050  .0092  .0128  .0087   .0020  -.0004  .0018
O9    .92518  .58268 .33770      .01334  .0156  .0076  .0136  -.0004  -.0032  .0012
O10   .87607  .76526 .13216      .00959  .0082  .0109  .0098   .0031   .0001  .0020
O11  -.01209  .20530 .48146      .01360  .0197  .0100  .0096   .0018   .0028 -.0010
O12   .21059  .74522 .23715      .01179  .0079  .0146  .0136   .0032   .0024  .0055
O13   .53060  .82388 .07655      .01090  .0083  .0107  .0144   .0034   .0029  .0010
O14   .77051  .11940 .07460      .01116  .0115  .0113  .0101   .0031  -.0020  .0020
O15   .39211  .97274 .28226      .01218  .0117  .0121  .0131   .0054  -.0017 -.0030
H1      .112  -.0749   .544  .70   .050
H11    -.053  .11788   .471  .30   .050
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Natron
Download hom/natron.pdf
Taga T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=25&spage=2656
Acta Crystallographica B25 (1969) 2656-2657
Crystal structure of Na2CO3*10H2O
Locality: synthetic
_database_code_amcsd 0009366
12.83 9.026 13.44 90 123.0 90 Cc
atom     x     y     z occ Biso
Na1   .240  .225  .128      1.7
Na2   .252  .270 -.128      1.9
C     .250  .754     0      1.0
O11'  .266  .718  .097  .5  3.5
O12'  .344  .793 -.003  .5  2.5
O13'  .139  .794 -.096  .5  2.0
O11"  .253  .834 -.073  .5  4.6
O12"  .151  .675 -.001  .5  3.8
O13"  .336  .809  .093  .5  4.1
Wat1  .125 -.012  .091      3.0
Wat2  .376 -.440  .208      2.0
Wat3  .093  .312  .175      1.7
Wat4  .374  .121  .322      1.8
Wat5  .139  .374 -.058      2.2
Wat6  .355  .125  .047      2.0
Wat7  .128  .049 -.215      2.5
Wat8  .372  .502 -.080      2.4
Wat9  .120  .376 -.332      2.7
Wat10 .399  .187 -.186      2.7
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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