American Mineralogist Crystal Structure Database

3 matching records for this search.

Dissakisite-(La)
 
Lavina B, Carbonin S, Russo U, Tumiati S
Download am/vol91/AM91_104.pdf
American Mineralogist 91 (2006) 104-110
The crystal structure of dissakisite-(La) and structural variations
after annealing of radiation damage
Sample: untreated DISS3
_database_code_amcsd 0003995
8.959 5.7226 10.232 90 115.19 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)
CaA1 .75710   .75 .15068 .792 .0205  .0302 .01717 .02021       0  .01661       0
ThA1 .75710   .75 .15068 .090 .0205  .0302 .01717 .02021       0  .01661       0
FeA1 .75710   .75 .15068 .053 .0205  .0302 .01717 .02021       0  .01661       0
LaA1 .75710   .75 .15068 .050 .0205  .0302 .01717 .02021       0  .01661       0
MnA1 .75710   .75 .15068 .009 .0205  .0302 .01717 .02021       0  .01661       0
UA1  .75710   .75 .15068 .003 .0205  .0302 .01717 .02021       0  .01661       0
NaA1 .75710   .75 .15068 .002 .0205  .0302 .01717 .02021       0  .01661       0
ErA1 .75710   .75 .15068 .001 .0205  .0302 .01717 .02021       0  .01661       0
CaA2 .59801   .75 .42706 .403 .0213 .01874 .02646 .01607       0  .00485       0
LaA2 .59801   .75 .42706 .265 .0213 .01874 .02646 .01607       0  .00485       0
CeA2 .59801   .75 .42706 .262 .0213 .01874 .02646 .01607       0  .00485       0
NdA2 .59801   .75 .42706 .038 .0213 .01874 .02646 .01607       0  .00485       0
PrA2 .59801   .75 .42706 .019 .0213 .01874 .02646 .01607       0  .00485       0
SrA2 .59801   .75 .42706 .010 .0213 .01874 .02646 .01607       0  .00485       0
SmA2 .59801   .75 .42706 .002 .0213 .01874 .02646 .01607       0  .00485       0
GdA2 .59801   .75 .42706 .001 .0213 .01874 .02646 .01607       0  .00485       0
AlM1      0     0      0 .813 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
CrM1      0     0      0 .148 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
TiM1      0     0      0 .030 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
VM1       0     0      0 .008 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
ScM1      0     0      0 .002 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
GaM1      0     0      0 .001 .0132 .01332 .01055 .01394  -.0004  .00402 -.00019
AlM2      0     0     .5 .948 .0111 .01097 .00956 .01204  .00022  .00428 -.00081
FeM2      0     0     .5 .052 .0111 .01097 .00956 .01204  .00022  .00428 -.00081
MgM3  .2989   .25  .2178 .622 .0177 .01641 .01337 .01556       0 -.00068       0
FeM3  .2989   .25  .2178 .299 .0177 .01641 .01337 .01556       0 -.00068       0
AlM3  .2989   .25  .2178 .054 .0177 .01641 .01337 .01556       0 -.00068       0
ZnM3  .2989   .25  .2178 .015 .0177 .01641 .01337 .01556       0 -.00068       0
NiM3  .2989   .25  .2178 .010 .0177 .01641 .01337 .01556       0 -.00068       0
Si1   .3376   .75  .0403 .990 .0113 .01169  .0102 .01094       0  .00378       0
Al1   .3376   .75  .0403 .007 .0113 .01169  .0102 .01094       0  .00378       0
P1    .3376   .75  .0403 .003 .0113 .01169  .0102 .01094       0  .00378       0
Si2   .6843   .25  .2764 .990 .0131 .01419 .01087 .01413       0  .00603       0
Al2   .6843   .25  .2764 .007 .0131 .01419 .01087 .01413       0  .00603       0
P2    .6843   .25  .2764 .003 .0131 .01419 .01087 .01413       0  .00603       0
Si3   .1859   .75  .3203 .990 .0105 .00982 .01227 .01024       0  .00518       0
Al3   .1859   .75  .3203 .007 .0105 .00982 .01227 .01024       0  .00518       0
P3    .1859   .75  .3203 .003 .0105 .00982 .01227 .01024       0  .00518       0
O1    .2334 .9910  .0322      .0201 .01485 .01519 .03112  .00298  .01072  .00404
O2    .3084 .9771  .3596      .0193  .0207 .02209 .01697 -.00789  .00972  -.0041
O3    .7935 .0144  .3373      .0229 .02259 .01304 .02262  .00164 -.00036 -.00212
O4    .0560   .25  .1292      .0159 .01544 .01516 .01551       0  .00497       0
O5    .0456   .75  .1475      .0140 .01496 .01661 .00959       0  .00433       0
O6    .0684   .75  .4084      .0166  .0215 .01537 .01895       0  .01438       0
O7    .5110   .75  .1780      .0222 .01817 .02273  .0165       0 -.00136       0
O8    .5331   .25  .3189      .0364 .03153 .04471 .04224       0  .02456       0
O9    .6188   .25  .1006      .0314 .03736 .04419 .01715       0  .01596       0
O10   .0843   .25  .4306      .0178 .01781 .01461 .02443       0  .01245       0
H      .159   .25   .305        .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dissakisite-(La)
 
Lavina B, Carbonin S, Russo U, Tumiati S
Download am/vol91/AM91_104.pdf
American Mineralogist 91 (2006) 104-110
The crystal structure of dissakisite-(La) and structural variations
after annealing of radiation damage
Sample: DISS3 annealed 700 C for 3 hours
_database_code_amcsd 0003996
8.931 5.699 10.182 90 115.16 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)
CaA1 .75676    .75 .15098 .792 .01441  .0219 .01197 .01385       0  .01192       0
ThA1 .75676    .75 .15098 .090 .01441  .0219 .01197 .01385       0  .01192       0
FeA1 .75676    .75 .15098 .053 .01441  .0219 .01197 .01385       0  .01192       0
LaA1 .75676    .75 .15098 .050 .01441  .0219 .01197 .01385       0  .01192       0
MnA1 .75676    .75 .15098 .009 .01441  .0219 .01197 .01385       0  .01192       0
UA1  .75676    .75 .15098 .003 .01441  .0219 .01197 .01385       0  .01192       0
NaA1 .75676    .75 .15098 .002 .01441  .0219 .01197 .01385       0  .01192       0
ErA1 .75676    .75 .15098 .001 .01441  .0219 .01197 .01385       0  .01192       0
CaA2 .59815    .75 .42772 .403 .01512 .01314 .01802 .01193       0  .00314       0
LaA2 .59815    .75 .42772 .265 .01512 .01314 .01802 .01193       0  .00314       0
CeA2 .59815    .75 .42772 .262 .01512 .01314 .01802 .01193       0  .00314       0
NdA2 .59815    .75 .42772 .038 .01512 .01314 .01802 .01193       0  .00314       0
PrA2 .59815    .75 .42772 .019 .01512 .01314 .01802 .01193       0  .00314       0
SrA2 .59815    .75 .42772 .010 .01512 .01314 .01802 .01193       0  .00314       0
SmA2 .59815    .75 .42772 .002 .01512 .01314 .01802 .01193       0  .00314       0
GdA2 .59815    .75 .42772 .001 .01512 .01314 .01802 .01193       0  .00314       0
AlM1      0      0      0 .813 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
CrM1      0      0      0 .148 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
TiM1      0      0      0 .030 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
VM1       0      0      0 .008 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
ScM1      0      0      0 .002 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
GaM1      0      0      0 .001 .00884 .00864 .00667 .00919 -.00025  .00185  -.0001
AlM2      0      0     .5 .948 .00755 .00718 .00583 .00855  .00023  .00228 -.00049
FeM2      0      0     .5 .052 .00755 .00718 .00583 .00855  .00023  .00228 -.00049
MgM3 .29705    .25 .21835 .622 .01147 .00976 .00772 .01071       0 -.00164       0
FeM3 .29705    .25 .21835 .299 .01147 .00976 .00772 .01071       0 -.00164       0
AlM3 .29705    .25 .21835 .054 .01147 .00976 .00772 .01071       0 -.00164       0
ZnM3 .29705    .25 .21835 .015 .01147 .00976 .00772 .01071       0 -.00164       0
NiM3 .29705    .25 .21835 .010 .01147 .00976 .00772 .01071       0 -.00164       0
Si1  .33785    .75 .04123 .990 .00789 .00779 .00657 .00817       0  .00227       0
Al1  .33785    .75 .04123 .007 .00789 .00779 .00657 .00817       0  .00227       0
P1   .33785    .75 .04123 .003 .00789 .00779 .00657 .00817       0  .00227       0
Si2  .68312    .25 .27672 .990 .00891 .01004  .0074 .00968       0  .00459       0
Al2  .68312    .25 .27672 .007 .00891 .01004  .0074 .00968       0  .00459       0
P2   .68312    .25 .27672 .003 .00891 .01004  .0074 .00968       0  .00459       0
Si3   .1859    .75 .32015 .990 .00693  .0067 .00799 .00644       0  .00312       0
Al3   .1859    .75 .32015 .007 .00693  .0067 .00799 .00644       0  .00312       0
P3    .1859    .75 .32015 .003 .00693  .0067 .00799 .00644       0  .00312       0
O1   .23395 .99227 .03345      .01446 .01058 .00993 .02286  .00204   .0071  .00269
O2   .30815  .9775 .35892      .01408 .01486 .01609 .01226 -.00611  .00671 -.00397
O3    .7928 .01355 .33786      .01681 .01576 .00879 .01748  .00062 -.00103 -.00169
O4   .05441    .25 .12967      .01137 .01087 .01073 .01136       0  .00362       0
O5   .04534    .75 .14737       .0097 .00826  .0112 .00781       0  .00165       0
O6   .06627    .75 .40663      .01269 .01582 .01211  .0152       0  .01147       0
O7   .51268    .75 .17843      .01612 .01234 .01625 .01292       0 -.00124       0
O8    .5318    .25  .3199      .02888 .02711 .03586 .03543       0  .02461       0
O9   .61971    .25 .10057       .0265 .03222 .03909 .01193       0  .01299       0
O10  .08335    .25 .42807      .01243 .01196 .01146 .01549       0  .00741       0
H      .154    .25   .305         .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dissakisite-(La)
 
Lavina B, Carbonin S, Russo U, Tumiati S
Download am/vol91/AM91_104.pdf
American Mineralogist 91 (2006) 104-110
The crystal structure of dissakisite-(La) and structural variations
after annealing of radiation damage
Sample: DISS3 annealed 700 C for 18 (3+15) hours
_database_code_amcsd 0003997
8.934 5.6939 10.180 90 115.153 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)
CaA1 .75687    .75 .15098 .792 .01401 .02087 .01221 .01304       0  .01115       0
ThA1 .75687    .75 .15098 .090 .01401 .02087 .01221 .01304       0  .01115       0
FeA1 .75687    .75 .15098 .053 .01401 .02087 .01221 .01304       0  .01115       0
LaA1 .75687    .75 .15098 .050 .01401 .02087 .01221 .01304       0  .01115       0
MnA1 .75687    .75 .15098 .009 .01401 .02087 .01221 .01304       0  .01115       0
UA1  .75687    .75 .15098 .003 .01401 .02087 .01221 .01304       0  .01115       0
NaA1 .75687    .75 .15098 .002 .01401 .02087 .01221 .01304       0  .01115       0
ErA1 .75687    .75 .15098 .001 .01401 .02087 .01221 .01304       0  .01115       0
CaA2 .59811    .75 .42772 .403 .01472 .01262 .01781 .01125       0   .0027       0
LaA2 .59811    .75 .42772 .265 .01472 .01262 .01781 .01125       0   .0027       0
CeA2 .59811    .75 .42772 .262 .01472 .01262 .01781 .01125       0   .0027       0
NdA2 .59811    .75 .42772 .038 .01472 .01262 .01781 .01125       0   .0027       0
PrA2 .59811    .75 .42772 .019 .01472 .01262 .01781 .01125       0   .0027       0
SrA2 .59811    .75 .42772 .010 .01472 .01262 .01781 .01125       0   .0027       0
SmA2 .59811    .75 .42772 .002 .01472 .01262 .01781 .01125       0   .0027       0
GdA2 .59811    .75 .42772 .001 .01472 .01262 .01781 .01125       0   .0027       0
AlM1      0      0      0 .813 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
CrM1      0      0      0 .148 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
TiM1      0      0      0 .030 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
VM1       0      0      0 .008 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
ScM1      0      0      0 .002 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
GaM1      0      0      0 .001 .00884  .0083 .00715 .00886 -.00025  .00151 -.00001
AlM2      0      0     .5 .948 .00749 .00702 .00599 .00822  .00004  .00205 -.00066
FeM2      0      0     .5 .052 .00749 .00702 .00599 .00822  .00004  .00205 -.00066
MgM3 .29668    .25 .21849 .622 .01028  .0085  .0077 .00913       0 -.00156       0
FeM3 .29668    .25 .21849 .299 .01028  .0085  .0077 .00913       0 -.00156       0
AlM3 .29668    .25 .21849 .054 .01028  .0085  .0077 .00913       0 -.00156       0
ZnM3 .29668    .25 .21849 .015 .01028  .0085  .0077 .00913       0 -.00156       0
NiM3 .29668    .25 .21849 .010 .01028  .0085  .0077 .00913       0 -.00156       0
Si1  .33797    .75 .04138 .990 .00747 .00703 .00667 .00735       0  .00174       0
Al1  .33797    .75 .04138 .007 .00747 .00703 .00667 .00735       0  .00174       0
P1   .33797    .75 .04138 .003 .00747 .00703 .00667 .00735       0  .00174       0
Si2  .68326    .25 .27692 .990 .00848 .00924 .00753 .00885       0  .00402       0
Al2  .68326    .25 .27692 .007 .00848 .00924 .00753 .00885       0  .00402       0
P2   .68326    .25 .27692 .003 .00848 .00924 .00753 .00885       0  .00402       0
Si3  .18599    .75 .32023 .990 .00679 .00619 .00818 .00624       0  .00288       0
Al3  .18599    .75 .32023 .007 .00679 .00619 .00818 .00624       0  .00288       0
P3   .18599    .75 .32023 .003 .00679 .00619 .00818 .00624       0  .00288       0
O1   .23425 .99205 .03383      .01396 .01053 .01019 .02062  .00192   .0061  .00234
O2   .30827 .97703 .35893      .01365   .014 .01617 .01158 -.00561  .00622 -.00331
O3   .79292 .01358  .3381      .01601 .01398 .00825 .01704  .00079 -.00185 -.00114
O4   .05402    .25 .12943        .011 .00917 .01116 .01107       0  .00275       0
O5   .04522    .75 .14761      .00944 .00819 .01072 .00718       0  .00111       0
O6   .06646    .75  .4068      .01226 .01447 .01176 .01507       0  .01064       0
O7   .51249    .75  .1782       .0159 .01158 .01717 .01226       0 -.00139       0
O8   .53169    .25  .3199      .02821 .02525 .03662  .0332       0  .02247       0
O9   .62027    .25 .10062      .02606 .03107 .03781 .01264       0  .01249       0
O10  .08357    .25 .42827      .01198 .01074 .01186   .014       0   .0059       0
H      .156    .25   .303         .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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