Important Update News

The RRUFF Project (rruff.info) is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional.

We are grateful to NASA for the funding of this effort.
American Mineralogist Crystal Structure Database

1 matching records for this search.

Mellite
Download hom/mellite.pdf 
Robl C, Kuhs W F
  
Journal of Solid State Chemistry 92 (1991) 101-109
A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K
Sample: T = 15 K
Locality: Tatabanya, Hungary
_database_code_amcsd 0013713
15.553 15.553 23.110 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al   .33164     .5    .25 .00293 .00417 .00359       0       0 -.00101
C1   .43663 .18663   .375 .00430 .00430 .00441 -.00060 -.00022  .00022
C2   .46949 .21710 .42767 .00492 .00568 .00381 -.00062  .00008  .00049
C3   .44078 .17582 .48392 .00508 .00563 .00491 -.00037  .00012  .00089
C4   .36800 .11800   .375 .00486 .00486 .00549  .00009 -.00060  .00060
O1   .49829 .14651 .51657 .00579 .01008 .00561  .00172 -.00007  .00240
O2   .36139 .17144 .49361 .00452 .00733 .00881 -.00019  .00119  .00126
O3   .39024 .04421 .39113 .00572 .00551 .00991 -.00112 -.00076  .00130
Ow1  .45281     .5    .25 .00489 .00691 .00902       0       0 -.00039
Ow2  .33309 .61346 .22181 .00867 .00495 .00862 -.00054 -.00191  .00074
Ow3  .32959 .54165 .32600 .00773 .00912 .00547  .00214 -.00106 -.00167
Ow4  .20829     .5    .25 .00456 .00602 .00904       0       0 -.00045
Ow5  .27570 .79943 .34470 .00878 .00674 .00839  .00016  .00096 -.00100
H1   .49183 .54919 .24417 .01702 .01599 .02988 -.00137  .00049  .00298
H2   .36115 .66293 .24199 .02100 .01455 .01999 -.00209 -.00548 -.00109
H3   .29190 .63948 .19414 .02147 .01950 .02076 -.00025 -.00650  .00247
H4   .28093 .57589 .34200 .01643 .02014 .01826  .00417  .00123 -.00183
H5   .37829 .53853 .35337 .01448 .02540 .01759  .00329 -.00476 -.00209
H6   .16989 .45036 .24910 .01707 .01676 .03140 -.00294 -.00069 -.00111
H7   .32578 .78559 .32024 .01890 .02063 .02225  .00050  .00646 -.00195
H8   .24795 .74404 .35346 .02240 .01735 .02398 -.00473  .00384  .00098


  Download AMC data (View Text File)
  Download CIF data (View Text File)
  Download diffraction data (View Text File)
  View JMOL 3-D Structure (permalink)

	 

	

					
				
				
				
				Download in:
				
				
				
				
				
                

                
				
				

                    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: 1

View in amc, download in amc









Return to AMCSD Home Page