|
Ellestadite-(OH) |
 |
Onac B P, Effenberger H, Ettinger K, Panzaru S P |
 |
American Mineralogist 91 (2006) 1927-1931 |
|
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
|
structural, and vibrational spectroscopy data |
|
Locality: Cioclovina Cave, Sureanu Mountains, Romania |
|
_database_code_amcsd 0004258 |
|
9.496 9.496 6.920 90 90 120 P6_3/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 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
|
Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
|
SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
|
ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
|
PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
|
O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
|
O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
|
O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
|
OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
|
FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
|
ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 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) |
| |
|
Ellestadite-(F) |
|
Pajares I, De la Torre A G, Martinez-Ramirez S, Puertas F, Blanco-Varela M T, Aranda M A G |
| |
Powder Diffraction 17 (2002) 281-286 |
|
Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite |
|
Locality: synthetic |
|
_database_code_amcsd 0015323 |
|
9.44174 9.44174 6.93964 90 90 120 P6_3/m |
|
atom x y z occ Uiso |
|
Ca1 1/3 2/3 .0016 .031 |
|
Ca2 .2399 .9920 .25 .022 |
|
Si .3961 .3684 .25 .5 .012 |
|
S .3961 .3684 .25 .5 .012 |
|
O1 .3234 .4846 .25 .014 |
|
O2 .5865 .4683 .25 .018 |
|
O3 .3385 .2568 .0709 .022 |
|
F 0 0 .25 .026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ellestadite-(Cl) |
|
Saint-Jean S J, Hansen S |
| |
Solid State Sciences 7 (2005) 97-102 |
|
Nonstoichiometry in chlorellestadite |
|
Locality: synthetic |
|
Sample: Stoichiometric |
|
_database_code_amcsd 0015528 |
|
9.6773 9.6773 6.8585 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 1/3 2/3 -.0051 2.0 |
|
Ca2 .2592 -.0045 .25 2.1 |
|
Si .4073 .3738 .25 .5 1.3 |
|
S .4073 .3738 .25 .5 1.3 |
|
O1 .3395 .4941 .25 2.1 |
|
O2 .5859 .4716 .25 2.1 |
|
O3 .3444 .2625 .0673 2.1 |
|
Cl 0 0 .451 .5 6.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ellestadite-(Cl) |
|
Saint-Jean S J, Hansen S |
| |
Solid State Sciences 7 (2005) 97-102 |
|
Nonstoichiometry in chlorellestadite |
|
Locality: synthetic |
|
Sample: Nonstoichiometric |
|
_database_code_amcsd 0015529 |
|
9.5608 9.5608 6.8949 90 90 120 P6_3/m |
|
atom x y z occ Biso |
|
Ca1 1/3 2/3 .0024 2.6 |
|
Ca2 .2548 -.0046 .25 .9 2.1 |
|
Si .4025 .3792 .25 .5 2.0 |
|
S .4025 .3792 .25 .5 2.0 |
|
O1 .3299 .4835 .25 2.7 |
|
O2 .579 .464 .25 2.7 |
|
O3 .3410 .2535 .0729 2.7 |
|
Cl 0 0 .451 .2 6.9 |
|
|
| 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: 