American Mineralogist Crystal Structure Database

1 matching records for this search.

Marsturite
Download hom/marsturite.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: Molinello mine, Liguria, Italy
_database_code_amcsd 0020225
7.697 11.720 6.771 92.40 94.41 106.83 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  .6753  .1466  .3710 .938 .0299  .0198  .0438  .0258  .0091  .0048 -.0042
LiM5  .6753  .1466  .3710 .062 .0299  .0198  .0438  .0258  .0091  .0048 -.0042
MnM1 .59347 .64999 .06289      .0182  .0162  .0219  .0153  .0039  .0003  .0010
MnM2 .80504 .94011 .12446 .851 .0195  .0215  .0203  .0167  .0067 -.0003 -.0002
CaM2 .80504 .94011 .12446 .149 .0195  .0215  .0203  .0167  .0067 -.0003 -.0002
MnM3 .03951 .23533 .17309  .82 .0175  .0167  .0195  .0155  .0045  .0013  .0001
FeM3 .03951 .23533 .17309  .11 .0175  .0167  .0195  .0155  .0045  .0013  .0001
MgM3 .03951 .23533 .17309  .07 .0175  .0167  .0195  .0155  .0045  .0013  .0001
CaM4 .23215 .52332 .27776 .763 .0235  .0201  .0244  .0218  .0018 -.0039  .0001
MnM4 .23215 .52332 .27776 .237 .0235  .0201  .0244  .0218  .0018 -.0039  .0001
Si1   .2670 .05745  .3557      .0185  .0200  .0191  .0157  .0050  .0001  .0016
Si2   .4577 .32818 .42513      .0159  .0177  .0171  .0119  .0040 -.0008  .0007
Si3  .80561 .45012 .21690      .0150  .0151  .0171  .0128  .0050  .0008  .0019
Si4  -.0055 .72249  .3073      .0164  .0159  .0193  .0134  .0049 -.0004  .0006
Si5  .34147 .85220  .1220      .0166  .0162  .0187  .0145  .0048  .0011  .0002
O1    .1808  .0062  .5589      .0238   .023   .025  .0208  .0022  .0024  .0038
O2    .1169  .0651  .1814      .0209   .023   .024  .0156  .0071 -.0007  .0008
O3    .4176  .1831  .4264      .0203   .021  .0178  .0205  .0039 -.0009  .0021
O4    .3230  .3525  .2491      .0176  .0161  .0215  .0141  .0044  .0007 -.0002
O5    .5399  .6124  .3592      .0210   .022   .022  .0167  .0042  .0026 -.0005
O6    .6771  .3731  .3776      .0198  .0166   .026  .0163  .0042  .0024  .0068
O7    .9590  .3909  .1655      .0231   .026   .026  .0221  .0140  .0054  .0041
O8    .6763  .4707  .0329      .0172  .0179  .0183  .0144  .0043 -.0006 -.0003
O9    .9226  .5781  .3386      .0221   .027  .0201  .0172  .0055 -.0051  .0001
O10   .8741  .7636  .1349      .0180  .0170  .0211  .0151  .0049  .0001  .0011
O11  -.0069  .2080  .4810      .0212   .025   .022  .0161  .0062  .0012  .0003
O12   .2060  .7440  .2411      .0208  .0197   .026  .0176  .0084  .0007  .0024
O13   .5260  .8214  .0784      .0224   .021   .026  .0209  .0076  .0034  .0030
O14   .7707  .1188  .0713      .0199  .0181  .0209  .0192  .0048 -.0031  .0004
O15   .3887  .9707  .2839      .0216   .022   .022  .0207  .0095 -.0039 -.0054
H1     .093  -.074   .536       .050
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