|
Ti(HPO4)2*(H2O) |
| |
Salvado M, Pertierra P, Garcia-Granda S, Garcia J, Rodriguez J, Fernandez-Diaz M |
 |
Acta Crystallographica B52 (1996) 896-898 |
|
Neutron powder diffraction study of alpha-Ti(HPO4)2*(H2O) and |
|
alpha-Hf(HPO4)2*(H2O); H-atom positions |
|
_cod_database_code 1006111 |
|
_database_code_amcsd 0009897 |
|
8.6110 4.9933 16.1507 90 110.206 90 P2_1/c |
|
atom x y z |
|
Ti1 .7588 .243 .5103 |
|
P1 -.0001 .746 .6090 |
|
P2 .4680 .236 .6014 |
|
O1 .1149 .8320 .5580 |
|
O2 -.0657 .4656 .5903 |
|
O3 .8548 .9502 .5906 |
|
O4 .0962 .7610 .7105 |
|
O5 .3223 .4344 .5537 |
|
O6 .4220 -.0463 .5648 |
|
O7 .6332 .3299 .5875 |
|
O8 .5117 .2529 .7033 |
|
O9 .2553 .2240 .7617 |
|
H1 .4133 .245 .7235 |
|
H2 .1440 .943 .7289 |
|
H3 .1948 .390 .7548 |
|
H4 .3083 .233 .8353 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hf(HPO4)2*(H2O) |
| |
Salvado M, Pertierra P, Garcia-Granda S, Garcia J, Rodriguez J, Fernandez-Diaz M |
|
Acta Crystallographica B52 (1996) 896-898 |
|
Neutron powder diffraction study of alpha-Ti(HPO4)2*(H2O) and |
|
alpha-Hf(HPO4)2*(H2O); H-atom positions |
|
_cod_database_code 1006112 |
|
_database_code_amcsd 0009898 |
|
8.9955 5.2439 16.224 90 111.234 90 P2_1/c |
|
atom x y z |
|
Hf1 .7373 .2519 .4853 |
|
P1 -.0238 .753 .6095 |
|
P2 .4976 .234 .6129 |
|
O1 .1231 .813 .5968 |
|
O2 -.0830 .472 .5713 |
|
O3 .8339 .939 .5610 |
|
O4 .0120 .746 .7067 |
|
O5 .3639 .447 .5901 |
|
O6 .4287 -.017 .5955 |
|
O7 .5981 .303 .5571 |
|
O8 .6004 .259 .7110 |
|
O9 .2370 .222 .7406 |
|
H1 -.100 .811 .7167 |
|
H2 .659 .076 .7282 |
|
H3 .294 .079 .763 |
|
H4 .212 .221 .6681 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
H4 O11 P2 Ti2 |
| |
Salvado M, Pertierra P, Garcia-Granda S, Garcia J, Fernandez-Diaz M, Dooryhee E |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1237-1247 |
|
Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2 |
|
determined from synchrotron X-ray and neutron powder data |
|
_cod_database_code 1008806 |
|
_database_code_amcsd 0016677 |
|
5.1147 8.8258 9.6627 73.323 86.173 86.330 P-1 |
|
atom x y z |
|
Ti1 .256 .264 .661 |
|
Ti2 .944 .123 .202 |
|
P1 .782 .335 .431 |
|
P2 .739 .177 .885 |
|
O1 .049 .299 .494 |
|
O2 .299 .494 .617 |
|
O3 .478 .244 .831 |
|
O4 .566 .246 .544 |
|
O5 -.051 .280 .789 |
|
O6 .226 .047 .704 |
|
O7 .794 .264 .301 |
|
O8 .75 .198 .036 |
|
O9 .209 -.008 .116 |
|
O10 .206 .312 .079 |
|
O11 .239 .079 .357 |
|
H1 .171 .320 -.027 |
|
H2 .400 .297 .078 |
|
H3 .603 -.011 .641 |
|
H4 .240 .137 .429 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
H6 Hf O10 P2 |
| |
Suarez M, Barcina L, Llavona R, Rodriguez J, Salvado M, Pertierra P, Garcia-Granda S |
| |
Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1998 (1998) 99-102 |
|
Synthesis, crystal structure and intercalation behaviour of hafnium |
|
phosphate dihydrogenphosphate dihydrate |
|
_cod_database_code 1006164 |
|
_database_code_amcsd 0014108 |
|
5.3499 6.5949 12.3939 90 98.594 90 P2_1 |
|
atom x y z |
|
Hf1 .8026 .25 .1258 |
|
P1 .244 .240 .9395 |
|
P2 .370 .187 .3089 |
|
O1 .054 .216 .018 |
|
O2 .201 .059 .863 |
|
O3 .21 .434 .873 |
|
O4 .520 .228 .993 |
|
O5 .089 .225 .258 |
|
O6 .543 .255 .227 |
|
O7 .368 .952 .315 |
|
O8 .398 .318 .4127 |
|
O9 .185 .190 .641 |
|
O10 .123 .524 .539 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
