|
Aravaite |
| |
Kruger B, Kruger H, Galuskin E V, Galuskina I O, Vapnik Y, Olieric V, Pauluhn A |
 |
Acta Crystallographica B74 (2018) 492-501 |
|
Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder |
|
of a new mineral with single and triple antiperovskite layers |
|
Locality: Hatrurim Complex, Arad, Israel |
|
_database_code_amcsd 0020953 |
|
7.12550 7.12550 66.2902 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .270337 .0140 .0142 .0142 .0135 .00711 0 0 |
|
Ca1 .49749 .99499 .23253 .0066 .0017 .0015 .0164 .0008 .0007 .0014 |
|
Ca2 .98845 .49422 .30918 .0086 .0033 .0028 .0201 .0016 .0010 .0005 |
|
Ca3 .48954 .97909 .146883 .937 .0058 .0023 .0034 .0119 .0017 .0006 .0012 |
|
Na3 .48954 .97909 .146883 .063 .0058 .0023 .0034 .0119 .0017 .0006 .0012 |
|
SiT1 .6667 .3333 .19130 .0022 .0003 .0003 .0058 .0002 0 0 |
|
SiT2 .3333 .6667 .34596 .0015 |
|
SiT3 0 0 .21838 .0022 .0003 .0003 .0058 .0002 0 0 |
|
PT4 .6667 .3333 .26572 .940 .0063 .0069 .0069 .0051 .0035 0 0 |
|
PT5p .3333 .6667 .27450 .54 .0071 |
|
CT5c .3333 .6667 .27450 .46 .0071 |
|
O1 .2223 .7777 .28273 .865 .017 .022 .022 .010 .013 .0006 .0006 |
|
O2 .3333 .6667 .25243 .012 .014 .014 .008 .0072 0 0 |
|
O3 .4578 .9155 .35310 .0193 .0065 .0035 .047 .0017 .0052 .010 |
|
O4 .6667 .3333 .28903 .0103 .013 .013 .005 .0066 0 0 |
|
O5 .5421 .0842 .18354 .0101 |
|
O6 .3333 .6667 .32173 .018 .021 .021 .012 .0104 0 0 |
|
O7 .6667 .3333 .21597 .0088 .009 .009 .008 .0046 0 0 |
|
O8 .7482 .8741 .22475 .0111 .0023 .0063 .023 .0011 .0020 .0010 |
|
O9 .7834 .2166 .25706 .0114 .0129 .0129 .012 .0092 .0013 .0013 |
|
O10 0 0 .19203 .0030 |
|
O11 .3333 .6667 .1667 .53 .002 |
|
F1 .3333 .6667 .1667 .47 .002 |
|
F2 .6667 .3333 .3333 .013 .016 .016 .007 .0079 0 0 |
|
F3 .3333 .6667 .12406 .993 .0082 .008 .008 .009 .0038 0 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) |
| |
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: 