American Mineralogist Crystal Structure Database

2 matching records for this search.

Killalaite
Download hom/killalaite.pdf
Taylor H F W
Download mm/vol41/MM41_363.pdf
Mineralogical Magazine 41 (1977) 363-369
The crystal structure of killalaite
Locality: Killala Bay, Ireland
_database_code_amcsd 0014467
6.807 15.459 6.811 90 97.76 90 P2_1/m
atom     x      y     z occ Biso
Ca1  .3314 -.0942 .9308     1.24
Ca2  .7190 -.0996 .3330     1.89
Ca3  .0125    .25 .3375     1.86
Ca4  .9299    .25 .8332     2.08
Ca5   .520    .25  .487 .43  1.2
Si1  .8131 -.0874 .8374     1.00
Si2  .7804  .0833 .6008      .93
O1    .677 -.0587  .002      1.2
O2    .690 -.1463  .662      1.9
OH2   .690 -.1463  .662 .57  1.9
O3    .004 -.1440  .919      1.0
O4    .672  .0489  .392      2.7
O5    .633  .1316  .731      1.6
O6    .957  .1504  .576      1.1
O7    .884  .0004  .727      2.5
OH8   .280    .25  .762      3.0
OH9   .660    .25  .156      2.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Killalaite
Download hom/killalaite.pdf
Armbruster T, Lazic B, Galuskina I O, Galuskin E V, Gnos E, Marzec K M, Gazeev V M
 
Mineralogical Magazine 76 (2012) 455-472
Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence
and relation to killalaite
Locality: Northern Caucasus, Russia
_database_code_amcsd 0018997
6.824 15.465 6.839 90 97.692 90 P2_1/m
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  .3324 -.09374 .9295      .0217  .0213  .0167  .0268 -.0027  .0020 -.0026
Ca2  .7197 -.10117 .3315      .0297  .0272  .0315  .0306  .0075  .0049  .0131
Ca3  .0084     .25 .3351      .0300   .062  .0104  .0190   .000  .0088   .000
Ca4  .9196     .25 .8314      .0332   .067  .0116  .0197   .000  .0005   .000
Ca5  .5216     .25 .4815 .320  .013   .013   .008   .018   .000   .000   .000
H2    .555   -.131   .67  .68  .050
Si1  .8142 -.08700 .8382      .0205  .0209  .0170  .0236  .0025  .0027  .0039
Si2  .7798  .08307 .5996      .0159  .0191  .0106  .0180 -.0009  .0023  .0011
O1   .6784  -.0583 .0010      .0182   .019   .016   .020   .003   .003  -.002
O2   .6904  -.1461 .6641      .0306   .023   .044   .024  -.009  -.001  -.002
O3   .0039  -.1438 .9203      .0212   .030   .012   .021   .002   .003   .001
O4   .6701   .0487 .3904      .0379   .050   .037   .025  -.022   .000  -.005
O5   .6296   .1308 .7326      .0270   .027   .021   .035   .006   .009  -.002
O6   .9547   .1509 .5740      .0235   .031   .015   .025  -.006   .005   .003
O7   .8861  -.0004 .7243      .0386   .028   .024   .068   .007   .018   .018
O8   .2761     .25  .763       .055   .040   .013   .102   .000  -.022   .000
O9   .6614     .25 .1541       .029   .026   .018   .044   .000   .008   .000
H8    .418     .25   .77       .050
H9     .54     .25   .22       .050
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: 2
View in amc, download in amc

Return to AMCSD Home Page