|
Natrophosphate |
 |
Baur W H, Tillmanns E |
 |
Acta Crystallographica B30 (1974) 2218-2224 |
|
Salt hydrates. X. The crystal structure determinations of heptasodium fluoride |
|
bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and |
|
the computer simulation of the isomorphous vanadate salt |
|
Note: not all H were located |
|
Locality: synthetic |
|
_database_code_amcsd 0009515 |
|
27.7550 27.7550 27.7550 90 90 90 *Fd3c |
|
.375 .375 .375 |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .48768 .08448 .01325 .00097 .00107 .00084 -.00009 .00003 .00003 |
|
NaA .20173 .20173 .20173 .5 .00155 .00155 .00155 -.00003 -.00003 -.00003 |
|
P1 .125 .125 .125 .00068 .00068 .00068 0 0 0 |
|
P2 .875 .125 .125 .00061 .00061 .00045 0 0 0 |
|
O1 .13886 .07914 .09940 1/3 .00175 .00126 .00136 .00013 .00019 -.00064 |
|
O2 .40697 .08099 .13524 .00081 .00071 .00087 .00013 -.00006 .00006 |
|
Ow3 .07205 .00249 .09648 .00084 .00123 .00094 -.00006 -.00016 .00016 |
|
Ow4 .40311 .07079 .01069 .00094 .00094 .00087 .00026 -.00009 .00000 |
|
Ow5 .28464 .03587 .08242 .00272 .00110 .00120 -.00064 .00058 -.00013 |
|
F 0 0 0 .00077 .00077 .00077 .00003 .00003 .00003 |
|
WatA .20173 .20173 .20173 .5 .00155 .00155 .00155 -.00003 -.00003 -.00003 |
|
H31 .094 .023 .112 3.1 |
|
H32 .275 .136 .084 3.1 |
|
H42a .382 .086 .034 .5 2.9 |
|
H42b .418 .016 .113 .5 2.9 |
|
H52 .445 .166 .060 5.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
