|
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)
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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)
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View JMOL 3-D Structure
|
| |
|
Fe12 O19 Sr |
| |
Obradors X, Solans X, Collomb A, Samaras D, Rodriguez J, Pernet M, Font-Altaba M |
| |
Journal of Solid State Chemistry 72 (1988) 218-224 |
|
Crystal structure of strontium hexaferrite Sr Fe12 O19 |
|
_cod_database_code 1006000 |
|
_database_code_amcsd 0013608 |
|
5.8844 5.8844 23.050 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Sr1 2/3 1/3 .25 |
|
Fe1 0 0 0 |
|
Fe2 0 0 .2542 .5 |
|
Fe3 1/3 2/3 .0272 |
|
Fe4 1/3 2/3 .1909 |
|
Fe5 .1689 .3378 -.1093 |
|
O1 0 0 .1516 |
|
O2 1/3 2/3 -.0552 |
|
O3 .1817 .3634 .25 |
|
O4 .1565 .3130 .0527 |
|
O5 .5047 .0094 .1508 |
|
|
| Download AMC data (View Text File)
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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)
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View JMOL 3-D Structure
|
| |
|
Al2.18 Ba Fe9.82 O19 |
| |
Sandiumenge F, Gali S, Rodriguez J |
| |
Materials Research Bulletin 23 (1988) 685-692 |
|
X-ray profile analysis of cation distribution in SrAlxFe12-xO19 solid solution |
|
_cod_database_code 1006002 |
|
_database_code_amcsd 0014326 |
|
5.8298 5.8298 22.859 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Fe1 0 0 0 .50 |
|
Al1 0 0 0 .50 |
|
Fe2 0 0 .25733 .43 |
|
Al2 0 0 .25733 .07 |
|
Fe3 1/3 2/3 .02713 .91 |
|
Al3 1/3 2/3 .02713 .09 |
|
Fe4 1/3 2/3 .19030 .86 |
|
Al4 1/3 2/3 .19030 .14 |
|
Fe5 .16868 .33735 -.10825 .82 |
|
Al5 .16868 .33735 -.10825 .18 |
|
O1 0 0 .15094 |
|
O2 1/3 2/3 -.05454 |
|
O3 .18213 .36426 .25 |
|
O4 .15647 .31297 .05192 |
|
O5 .5026 .00520 .14957 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al4.05 Ba Fe7.95 O19 |
| |
Sandiumenge F, Gali S, Rodriguez J |
| |
Materials Research Bulletin 23 (1988) 685-692 |
|
X-ray profile analysis of cation distribution in SrAlxFe12-xO19 solid solution |
|
_cod_database_code 1006003 |
|
_database_code_amcsd 0014327 |
|
5.7937 5.7937 22.763 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Fe1 0 0 0 .23 |
|
Al1 0 0 0 .77 |
|
Fe2 0 0 .25733 .39 |
|
Al2 0 0 .25733 .11 |
|
Fe3 1/3 2/3 .02713 .81 |
|
Al3 1/3 2/3 .02713 .19 |
|
Fe4 1/3 2/3 .19030 .80 |
|
Al4 1/3 2/3 .19030 .20 |
|
Fe5 .16868 .33735 -.10825 .62 |
|
Al5 .16868 .33735 -.10825 .38 |
|
O1 0 0 .15094 |
|
O2 1/3 2/3 -.05454 |
|
O3 .18213 .36426 .25 |
|
O4 .15647 .31297 .05192 |
|
O5 .5026 .00520 .14957 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Al6.36 Ba Fe5.64 O19 |
| |
Sandiumenge F, Gali S, Rodriguez J |
| |
Materials Research Bulletin 23 (1988) 685-692 |
|
X-ray profile analysis of cation distribution in SrAlxFe12-xO19 solid solution |
|
_cod_database_code 1006004 |
|
_database_code_amcsd 0014328 |
|
5.7473 5.7473 22.585 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Fe1 0 0 0 .04 |
|
Al1 0 0 0 .96 |
|
Fe2 0 0 .25733 .36 |
|
Al2 0 0 .25733 .14 |
|
Fe3 1/3 2/3 .02713 .71 |
|
Al3 1/3 2/3 .02713 .29 |
|
Fe4 1/3 2/3 .19030 .65 |
|
Al4 1/3 2/3 .19030 .35 |
|
Fe5 .16868 .33735 -.10825 .36 |
|
Al5 .16868 .33735 -.10825 .64 |
|
O1 0 0 .15094 |
|
O2 1/3 2/3 -.05454 |
|
O3 .18213 .36426 .25 |
|
O4 .15647 .31297 .05192 |
|
O5 .5026 .00520 .14957 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Al8.56 Ba Fe3.44 O19 |
| |
Sandiumenge F, Gali S, Rodriguez J |
| |
Materials Research Bulletin 23 (1988) 685-692 |
|
X-ray profile analysis of cation distribution in SrAlxFe12-xO19 solid solution |
|
_cod_database_code 1006005 |
|
_database_code_amcsd 0014329 |
|
5.6916 5.6916 22.403 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Al1 0 0 0 |
|
Fe1 0 0 .25733 .31 |
|
Al2 0 0 .25733 .19 |
|
Fe2 1/3 2/3 .02713 .55 |
|
Al3 1/3 2/3 .02713 .45 |
|
Fe3 1/3 2/3 .19030 .44 |
|
Al4 1/3 2/3 .19030 .56 |
|
Fe4 .16868 .33735 -.10825 .14 |
|
Al5 .16868 .33735 -.10825 .86 |
|
O1 0 0 .15094 |
|
O2 1/3 2/3 -.05454 |
|
O3 .18213 .36426 .25 |
|
O4 .15647 .31297 .05192 |
|
O5 .5026 .00520 .14957 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Al9.86 Ba Fe2.14 O19 |
| |
Sandiumenge F, Gali S, Rodriguez J |
| |
Materials Research Bulletin 23 (1988) 685-692 |
|
X-ray profile analysis of cation distribution in SrAlxFe12-xO19 solid solution |
|
_cod_database_code 1006006 |
|
_database_code_amcsd 0014330 |
|
5.6286 5.6286 22.203 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 2/3 1/3 .25 |
|
Al1 0 0 0 |
|
Fe1 0 0 .25733 .168 |
|
Al2 0 0 .25733 .332 |
|
Fe2 1/3 2/3 .02713 .307 |
|
Al3 1/3 2/3 .02713 .693 |
|
Fe3 1/3 2/3 .19030 .264 |
|
Al4 1/3 2/3 .19030 .736 |
|
Fe4 .16868 .33735 -.10825 .111 |
|
Al5 .16868 .33735 -.10825 .889 |
|
O1 0 0 .15094 |
|
O2 1/3 2/3 -.05454 |
|
O3 .18213 .36426 .25 |
|
O4 .15647 .31297 .05192 |
|
O5 .5026 .00520 .14957 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cr7.87 Ga4.13 O19 Sr |
| |
Obradors X, Labarta A, Isalgue A, Tejada J, Rodriguez J, Pernet M |
| |
Solid State Communications 65 (1988) 189-192 |
|
Magnetic frustration and lattice dimensionality in Sr Cr8 Ga4 O19 |
|
_cod_database_code 1006009 |
|
_database_code_amcsd 0015456 |
|
5.7993 5.7993 22.6584 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Sr1 0 0 .25 |
|
Ga1 0 0 0 .04 |
|
Cr1 0 0 0 .96 |
|
Ga2 0 0 .2561 .5 |
|
Ga3 1/3 2/3 .0282 |
|
Ga4 1/3 2/3 .1925 .135 |
|
Cr2 1/3 2/3 .1925 .865 |
|
Ga5 .1681 .3362 -.1084 .1367 |
|
Cr3 .1681 .3362 -.1084 .8633 |
|
O1 0 0 .1515 |
|
O2 1/3 2/3 -.0545 |
|
O3 .1821 .3642 .25 |
|
O4 .1567 .3134 .0528 |
|
O5 .5053 .0106 .1510 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.15 Cu Nd1.85 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006013 |
|
_database_code_amcsd 0015468 |
|
3.94224 3.94224 12.0603 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Nd1 0 0 .3527 .925 .0045 .0045 .0001 0 0 0 |
|
Ce1 0 0 .3527 .075 .0045 .0045 .0001 0 0 0 |
|
Cu1 0 0 0 .0059 .0059 .001 0 0 0 |
|
O1 0 .5 0 .0081 .0086 .0013 0 0 0 |
|
O2 0 .5 .25 .0078 .0078 .001 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.05 Cu Nd1.95 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006014 |
|
_database_code_amcsd 0015469 |
|
3.94056 3.94056 12.1130 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3519 .975 |
|
Ce1 0 0 .3519 .025 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.05 Cu Nd1.95 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006015 |
|
_database_code_amcsd 0015470 |
|
3.9435 3.9435 12.1272 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3522 .975 |
|
Ce1 0 0 .3522 .025 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.1 Cu Nd1.9 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006016 |
|
_database_code_amcsd 0015471 |
|
3.94070 3.94070 12.0945 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3523 .95 |
|
Ce1 0 0 .3523 .05 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.1 Cu Nd1.9 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006017 |
|
_database_code_amcsd 0015472 |
|
3.9435 3.9435 12.1048 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3528 .95 |
|
Ce1 0 0 .3528 .05 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.15 Cu Nd1.85 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006018 |
|
_database_code_amcsd 0015473 |
|
3.9457 3.9457 12.0764 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3537 .95 |
|
Ce1 0 0 .3537 .05 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.2 Cu Nd1.8 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006019 |
|
_database_code_amcsd 0015474 |
|
3.94295 3.94295 12.030 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3531 .9 |
|
Ce1 0 0 .3531 .1 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.2 Cu Nd1.8 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006020 |
|
_database_code_amcsd 0015475 |
|
3.9481 3.9481 12.0524 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3544 .9 |
|
Ce1 0 0 .3544 .1 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.3 Cu Nd1.7 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006021 |
|
_database_code_amcsd 0015476 |
|
3.94288 3.94288 12.0288 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3531 .85 |
|
Ce1 0 0 .3531 .15 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ce0.3 Cu Nd1.7 O4 |
| |
Paulus E, Yehia I, Fuess H, Rodriguez J, Vogt T, Stroebel J, Klauda M, Saemann-Ischenko G |
| |
Solid State Communications 73 (1990) 791-795 |
|
Crystal structure refinement of Nd2-xCexCuO4 (x=.05-.30) by x-ray |
|
(295K) and neutron (1.5K) powder diffraction |
|
_cod_database_code 1006022 |
|
_database_code_amcsd 0015477 |
|
3.94616 3.94616 12.0441 90 90 90 I4/mmm |
|
atom x y z occ |
|
Nd1 0 0 .3544 .85 |
|
Ce1 0 0 .3544 .15 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 .5 .25 |
|
|
| 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
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