|
Cu0.6667 Fe0.6667 O3 Ti0.6667 |
| |
Mouron P, Odier P, Choisnet J |
| |
Journal of Solid State Chemistry 60 (1985) 87-94 |
|
Titanates de cuivre substitues a structure bixbyite: Les composes |
|
Cu1-x Ti1-x Fe2x O3 (0.15 |
|
_cod_database_code 1001551 |
|
_database_code_amcsd 0013563 |
|
9.4312 9.4312 9.4312 90 90 90 Ia3 |
|
atom x y z occ |
|
Cu1 .25 .25 .25 .3333 |
|
Ti1 .25 .25 .25 .3333 |
|
Fe1 .25 .25 .25 .3333 |
|
Cu2 -.030 0 .25 .3333 |
|
Ti2 -.030 0 .25 .3333 |
|
Fe2 -.030 0 .25 .3333 |
|
O1 .377 .158 .395 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La1.6 Ni O3.5 Sr0.4 |
| |
Crespin M, Bassat J, Odier P, Mouron P, Choisnet J |
| |
Journal of Solid State Chemistry 84 (1990) 165-170 |
|
Synthesis and crystallographic characterization of the mixed-valence |
|
reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47 |
|
_cod_database_code 1001696 |
|
_database_code_amcsd 0013671 |
|
3.8728 3.7242 12.767 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3610 .8 |
|
Sr1 0 0 .3610 .2 |
|
Ni1 0 0 0 |
|
O1 0 0 .173 |
|
O2 .5 0 0 .85 |
|
O3 0 .5 0 .65 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La Ni O3.43 Sr |
| |
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J |
| |
Journal of Solid State Chemistry 100 (1992) 281-291 |
|
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type |
|
structure |
|
_cod_database_code 1001513 |
|
_database_code_amcsd 0013749 |
|
3.8666 3.7281 12.644 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3586 .5 |
|
Sr1 0 0 .3586 .5 |
|
Ni1 0 0 0 |
|
O1 0 0 .164 |
|
O2 .5 0 0 |
|
O3 0 .5 0 .43 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La Ni O3.09 Sr |
| |
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J |
| |
Journal of Solid State Chemistry 100 (1992) 281-291 |
|
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type |
|
structure |
|
_cod_database_code 1001514 |
|
_database_code_amcsd 0013750 |
|
3.853 3.566 12.869 90 90 90 Immm |
|
atom x y z occ |
|
La1 0 0 .3587 .5 |
|
Sr1 0 0 .3587 .5 |
|
Ni1 0 0 0 |
|
O1 0 0 .159 |
|
O2 .5 0 0 .89 |
|
O3 0 .5 0 .20 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La2 Ni O4 |
| |
Odier P, Leblanc M, Choisnet J |
| |
Materials Research Bulletin 21 (1986) 787-796 |
|
Structural characterization of an orthorhombic form of La Ni O4 |
|
_cod_database_code 1000414 |
|
_database_code_amcsd 0014318 |
|
5.468 5.535 12.547 90 90 90 Pncb |
|
atom x y z |
|
La1 0 0 .3774 |
|
La2 .5 0 .1367 |
|
Ni1 0 0 0 |
|
Ni2 .5 0 .5 |
|
O1 0 0 .195 |
|
O2 .5 0 .326 |
|
O3 .226 .25 .007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.95 O7.65 Y |
| |
Gotor F, Odier P, Gervais M, Choisnet J, Monod P |
| |
Physica C 218 (1993) 429-436 |
|
Synthesis of YBa2Cu3O7-x by sol-gel route. Formation of YBaCuO |
|
oxycarbonate intermediate |
|
_cod_database_code 1001578 |
|
_database_code_amcsd 0015061 |
|
3.8706 3.8706 11.612 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1829 |
|
Cu1 0 0 0 .55 |
|
Cu2 .0365 .0365 0 .1 |
|
Cu3 0 0 .3535 |
|
O1 0 .5 0 .3 |
|
O2 0 0 .154 |
|
O3 0 .5 .374 |
|
C1 .5 .5 0 .35 |
|
O4 .202 .337 0 .13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4 Pr2 |
| |
Fernandez-Diaz M, Martinez J, Rodriguez-Carvajal J, Beille J, Martinez B, Obradors X, Odier P |
| |
Physical Review B47 (1993) 5834-5840 |
|
Metamagnetism in single-crystal Pr2NiO4 |
|
_cod_database_code 1008635 |
|
_database_code_amcsd 0016524 |
|
5.49 5.49 12.17 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z |
|
Pr1 -.0129 -.0129 .3634 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0281 |
|
O2 .75 .25 0 |
|
O3 .0497 .0497 .17835 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4 Pr2 |
| |
Fernandez-Diaz M, Martinez J, Rodriguez-Carvajal J, Beille J, Martinez B, Obradors X, Odier P |
| |
Physical Review, Serie 3. B - Condensed Matter 47 (1993) 5834-5840 |
|
Metamagnetism in single-crystal Pr2NiO4 |
|
_cod_database_code 1006058 |
|
_database_code_amcsd 0015286 |
|
5.49 5.49 12.17 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z |
|
Pr1 -.0129 -.0129 .3634 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0281 |
|
O2 .75 .25 0 |
|
O3 .0497 .0497 .17835 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La2NiO4 |
| |
Choisnet J, Bassat J, Pilliere H, Odier P, Leblanc M |
| |
Solid State Communications 66 (1988) 1245-1249 |
|
A re-investigation of the crystal structure of La2NiO4 |
|
Non stoichiometry and "LaO" layers |
|
_cod_database_code 1000250 |
|
_database_code_amcsd 0015457 |
|
3.869 3.869 12.664 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) |
|
La1 0 0 .3717 .95 .0107 .0107 .0033 0 0 0 |
|
Ni1 0 0 0 .0089 .0089 .0124 0 0 0 |
|
O1 0 0 .1771 .965 .0417 .0007 .0061 0 0 0 |
|
O2 .5 0 0 .0146 .0160 .0190 0 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
|
| |
|
Ca0.75 Fe1.5 O4 Sn0.5 |
| |
Archaimbault F, Odier P, Choisnet J |
| |
Solid State Ionics 28 (1988) 1357-1363 |
|
Non-stoichiometric compounds with a defect Ca Fe2 O4 structure: The |
|
mixed ferrites Ca1-x/2 Fe2-x Snx O4 and |
|
Ca1-(x+y)4/2 Liy Fe2-x Snx O4 |
|
_cod_database_code 1001382 |
|
_database_code_amcsd 0015509 |
|
9.265 10.945 3.01 90 90 90 Pnam |
|
atom x y z occ |
|
Ca1 .751 .650 .25 .75 |
|
Fe1 .443 .610 .25 .75 |
|
Sn1 .443 .610 .25 .25 |
|
Fe2 .414 .102 .25 .75 |
|
Sn2 .414 .102 .25 .25 |
|
O1 .208 .166 .25 |
|
O2 .127 .481 .25 |
|
O3 .528 .784 .25 |
|
O4 .419 .424 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.18 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1008772 |
|
_database_code_amcsd 0016649 |
|
5.4492 5.4492 12.5362 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 0 0 .3597 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0154 |
|
O2 .25 .75 0 |
|
O3 .019 .019 .1762 .585 |
|
O4 .25 .25 .251 .18 |
|
O5 -.068 -.068 .176 .415 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.2 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1008773 |
|
_database_code_amcsd 0016650 |
|
5.4492 5.4492 12.5361 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 0 0 .3600 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0154 |
|
O2 .25 .75 0 |
|
O3 .019 .019 .1749 .585 |
|
O4 .25 .75 .275 .10 |
|
O5 -.064 -.064 .176 .415 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.216 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1008774 |
|
_database_code_amcsd 0016651 |
|
5.4491 5.4491 12.5359 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 .001 .001 .3599 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0155 |
|
O2 .25 .75 0 |
|
O3 .0384 .0384 .1754 .5 |
|
O4 -.0384 -.0384 .1754 .5 |
|
O5 .25 .25 .273 .072 |
|
O6 .25 .75 .273 .072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.18 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik, B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1006113 |
|
_database_code_amcsd 0015856 |
|
5.4492 5.4492 12.5362 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 0 0 .3597 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0154 |
|
O2 .25 .75 0 |
|
O3 .019 .019 .1762 .585 |
|
O4 .25 .25 .251 .18 |
|
O5 -.068 -.068 .176 .415 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.2 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik, B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1006114 |
|
_database_code_amcsd 0015857 |
|
5.4492 5.4492 12.5361 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 0 0 .3600 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0154 |
|
O2 .25 .75 0 |
|
O3 .019 .019 .1749 .585 |
|
O4 .25 .75 .275 .10 |
|
O5 -.064 -.064 .176 .415 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni O4.216 Pr2 |
| |
Allancon C, Rodriguez-Carvajal J, Fernandez-Diaz M, Odier P, Bassat J, Loup J, Martinez J |
| |
Zeitschrift fur Physik, B 100 (1995) 85-90 |
|
Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d |
|
_cod_database_code 1006115 |
|
_database_code_amcsd 0015858 |
|
5.4491 5.4491 12.5359 90 90 90 *P4_2/ncm |
|
.25 -.25 .25 |
|
atom x y z occ |
|
Pr1 .001 .001 .3599 |
|
Ni1 0 0 0 |
|
O1 .25 .25 -.0155 |
|
O2 .25 .75 0 |
|
O3 .0384 .0384 .1754 .5 |
|
O4 -.0384 -.0384 .1754 .5 |
|
O5 .25 .25 .273 .072 |
|
O6 .25 .75 .273 .072 |
|
|
| 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.
