American Mineralogist Crystal Structure Database

2 matching records for this search.

Tveitite
 
Yakubovich O V, Massa W, Pekov I V, Gavrilenko P G
 
Crystallography Reports 52 (2007) 71-79
Crystal structure of tveitite-(Y): fractionation of rare-earth elements
between positions and the variety of defects
Locality: Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia
_database_code_amcsd 0012393
17.020 17.020 9.679 90 90 120 R-3
atom      x      y      z  occ  Uiso
YA1  .87106 .01720 .82517 .883 .0105
NaA1 .87106 .01720 .82517  .11 .0105
CaA2 .76076 .03251 .16022 .841 .0141
NdA2 .76076 .03251 .16022 .159 .0141
CaA3 .73790 .89618 .49980 .716 .0110
NaA3 .73790 .89618 .49980 .204 .0110
HoA3 .73790 .89618 .49980 .080 .0110
CaA4      0      0     .5 .092 .0169
NaA4      0      0     .5 .074 .0169
F1    .8716  .0188  .5855      .0176
F2    .7325  .8969  .7449      .0173
F3    .8902  .1570  .7483      .0148
F4    .7553  .0365  .4113      .0165
F5    .7503  .0331  .9058      .0181
F6    .8044  .9184  .9981  .72 .0271
F7    .8898  .9032  .7646  .71 .0350
F8    .8593  .8765  .9171  .30  .018
F9        0      0   .929  .06  .030
F10       0      0   .750  .10  .021
F11    .001   .029   .973  .06  .033
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Tveitite-(Y)
Download hom/tveititey.pdf
Bevan D J M, Strahle J, Greis O
 
Journal of Solid State Chemistry 44 (1982) 75-81
The crystal structure of tveitite, an ordered yttrofluorite mineral
Note: a and b adjusted to match reported bond lengths
_database_code_amcsd 0013486
16.9620 16.9620 9.6664 90 90 120 R-3
atom     x     y     z occ Biso
Y    .0169 .1489 .1786      .60
Ca1      0     0 .5353  .5  2.8
Ca2  .2654 .2348 .1557       .1
Ca3  .1749 .4059 .1672      1.2
F1   .1958 .0831 .0040      1.0
F2   .1102 .0975 .2349      1.4
F3   .0190 .1495 .4146       .1
F4   .2702 .1024 .2573       .3
F5   .1576 .2686 .2515       .2
F6   .0324 .2842 .0971       .4
F7   .2955 .3838 .0744       .3
F8       0     0  .060  .5  1.4
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: 2
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