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American Mineralogist Crystal Structure Database

1 matching records for this search.

Murataite-(Y)
Download hom/murataitey.pdf 
Ercit T S, Hawthorne F C
The Canadian Mineralogist 33 (1995) 1223-1229
Murataite, a UB12 derivative structure with condensed Keggin molecules
_database_code_amcsd 0005476
14.886 14.886 14.886 90 90 90 F-43m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
YX    .1812      0      0  .37        .0064  .0079  .0079      0      0  .0011
DyX   .1812      0      0  .05        .0064  .0079  .0079      0      0  .0011
HoX   .1812      0      0  .02        .0064  .0079  .0079      0      0  .0011
ErX   .1812      0      0  .05        .0064  .0079  .0079      0      0  .0011
TmX   .1812      0      0  .01        .0064  .0079  .0079      0      0  .0011
YbX   .1812      0      0  .05        .0064  .0079  .0079      0      0  .0011
LuX   .1812      0      0  .01        .0064  .0079  .0079      0      0  .0011
NaX   .1812      0      0  .35        .0064  .0079  .0079      0      0  .0011
CaX   .1812      0      0  .06        .0064  .0079  .0079      0      0  .0011
MnX   .1812      0      0  .03        .0064  .0079  .0079      0      0  .0011
TiM1  .1629  .1629  .5087  .76        .0072  .0072  .0095 -.0001 -.0014 -.0014
NbM1  .1629  .1629  .5087  .13        .0072  .0072  .0095 -.0001 -.0014 -.0014
NaM1  .1629  .1629  .5087  .11        .0072  .0072  .0095 -.0001 -.0014 -.0014
ZnM2 -.1722 -.1722 -.1722  .48        .0065  .0065  .0065  .0020  .0020  .0020
FeM2 -.1722 -.1722 -.1722  .25        .0065  .0065  .0065  .0020  .0020  .0020
NaM2 -.1722 -.1722 -.1722  .16        .0065  .0065  .0065  .0020  .0020  .0020
TiM2 -.1722 -.1722 -.1722  .11        .0065  .0065  .0065  .0020  .0020  .0020
ZnT      .5     .5     .5  .89 .0135
SiT      .5     .5     .5  .11 .0135
O1    .2976  .0729  .0729      .0085
O2    .3962  .3962   .742  .82 .0100
O3    .5738  .5738  .5738      .0056
O4      .25    .25   .767 1/12 .0100
O5     .015    .25    .25  .70 .0132
F5     .015    .25    .25  .30 .0132
O6    -.079  -.079  -.079  .45 .0116
F6    -.079  -.079  -.079  .55 .0116
F      .106   .106   .085  1/3 .0100


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	Total number of retrieved datasets: 1

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