|
Kusachiite |
 |
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 1.5 K |
|
_database_code_amcsd 0013255 |
|
8.4989 8.4989 5.7973 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0817 -.0817 .75 .224 .00072 .00072 .00191 .00009 .00016 .00016 |
|
Cu .25 .25 .0766 .305 .00077 .00077 .00349 0 0 0 |
|
O .5500 -.1421 -.0913 .331 .00136 .00135 .00371 .00004 -.00003 .00006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 30 K |
|
_database_code_amcsd 0013256 |
|
8.4988 8.4988 5.7976 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0817 -.0817 .75 .251 .00079 .00079 .00221 .00010 .00029 .00029 |
|
Cu .25 .25 .0764 .312 .00083 .00083 .00340 0 0 0 |
|
O .5501 -.1422 -.0915 .341 .00136 .00137 .00389 -.00003 .00014 .00012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 75 K |
|
_database_code_amcsd 0013257 |
|
8.4987 8.4987 5.7999 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0818 -.0818 .75 .316 .00101 .00101 .00270 .00010 .00011 .00011 |
|
Cu .25 .25 .0765 .348 .00084 .00084 .00414 0 0 0 |
|
O .5500 -.1421 -.0911 .404 .00154 .00154 .00455 .00003 -.00010 -.00005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kusachiite |
|
Garcia-Munoz J L, Rodriguez-Carvajal J, Sapina F, Sanchis M J, Ibanez R, Beltran-Porter D |
| |
Journal of Physics: Condensed Matter 2 (1990) 2205-2214 |
|
Crystal and magnetic structures of Bi2CuO4 |
|
Locality: synthetic |
|
Sample: T = 290 K |
|
_database_code_amcsd 0013258 |
|
8.5039 8.5039 5.8202 90 90 90 *P4/ncc |
|
.25 -.25 0 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi .0814 -.0814 .75 .736 .00227 .00227 .00660 .00015 .00014 .00014 |
|
Cu .25 .25 .0770 .675 .00189 .00189 .00688 0 0 0 |
|
O .5498 -.1424 -.0914 .730 .00293 .00269 .00843 .00039 .00025 .00039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu Dy2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006051 |
|
_database_code_amcsd 0013742 |
|
12.2061 5.6732 7.1355 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9049 .25 .9291 |
|
Dy1 .2891 .25 .1174 |
|
Dy2 .0744 .25 .3969 |
|
Cu1 .6599 .25 .7114 |
|
O1 .4327 -.0090 .1674 |
|
O2 .2283 .5042 .3558 |
|
O3 .1003 .25 .0820 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu Ho2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006052 |
|
_database_code_amcsd 0013743 |
|
12.1825 5.6630 7.1336 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9048 .25 .9304 |
|
Ho1 .2884 .25 .1162 |
|
Ho2 .0740 .25 .3957 |
|
Cu1 .6595 .25 .7130 |
|
O1 .4328 -.0073 .1660 |
|
O2 .2278 .5040 .3562 |
|
O3 .1004 .25 .0806 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu O5 Y2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006053 |
|
_database_code_amcsd 0013744 |
|
12.1792 5.6590 7.1325 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9049 .25 .9307 |
|
Y1 .2885 .25 .1157 |
|
Y2 .0738 .25 .3960 |
|
Cu1 .6589 .25 .7132 |
|
O1 .4326 -.0067 .1661 |
|
O2 .2278 .5045 .3565 |
|
O3 .0997 .25 .0802 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu Er2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006054 |
|
_database_code_amcsd 0013745 |
|
12.1423 5.6459 7.1072 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9057 .25 .9307 |
|
Er1 .2885 .25 .1171 |
|
Er2 .0743 .25 .3965 |
|
Cu1 .6599 .25 .7123 |
|
O1 .4333 -.0076 .1661 |
|
O2 .2283 .5024 .3571 |
|
O3 .1008 .25 .0832 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu O5 Tm2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006055 |
|
_database_code_amcsd 0013746 |
|
12.1011 5.6275 7.0793 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9045 .25 .9298 |
|
Tm1 .2885 .25 .1177 |
|
Tm2 .0738 .25 .3969 |
|
Cu1 .6597 .25 .7120 |
|
O1 .4333 -.0071 .1644 |
|
O2 .2276 .5014 .3579 |
|
O3 .1010 .25 .0830 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu O5 Yb2 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006056 |
|
_database_code_amcsd 0013747 |
|
12.0652 5.6152 7.0569 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9048 .25 .9292 |
|
Yb1 .2884 .25 .1176 |
|
Yb2 .0738 .25 .3972 |
|
Cu1 .6594 .25 .7126 |
|
O1 .4329 -.0065 .1649 |
|
O2 .2279 .5025 .3594 |
|
O3 .1011 .25 .0847 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu Lu2 O5 |
| |
Salinas-Sanchez A, Garcia-Munoz J, Rodriguez-Carvajal J, |
|
Saez-Puche R, Martinez J |
| |
Journal of Solid State Chemistry 100 (1992) 201-211 |
|
Structural characterization of R2BaCuO5 |
|
(R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction |
|
_cod_database_code 1006057 |
|
_database_code_amcsd 0013748 |
|
12.0342 5.6003 7.0395 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9039 .25 .9306 |
|
Lu1 .2887 .25 .1183 |
|
Lu2 .0736 .25 .3967 |
|
Cu1 .6594 .25 .7130 |
|
O1 .4332 -.0056 .1638 |
|
O2 .2274 .5015 .3595 |
|
O3 .1011 .25 .0850 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Ho2 O5 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006083 |
|
_database_code_amcsd 0013844 |
|
10.8096 3.4962 12.4735 90 90 90 Pna2_1 |
|
atom x y z |
|
Ho1 .208 .227 0 |
|
Ho2 .0424 .226 .3303 |
|
Cu1 .9902 .662 .115 |
|
Cu2 .2610 .664 .217 |
|
O1 .173 .726 .359 |
|
O2 .324 .712 .066 |
|
O3 .124 .320 .169 |
|
O4 .427 .776 .263 |
|
O5 .426 .230 .479 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 O5 Y2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006084 |
|
_database_code_amcsd 0013845 |
|
10.796 3.494 12.4546 90 90 90 Pna2_1 |
|
atom x y z |
|
Y1 .2067 .231 0 |
|
Y2 .0406 .232 .3294 |
|
Cu1 .9909 .656 .1123 |
|
Cu2 .2602 .674 .2151 |
|
O1 .1761 .723 .3487 |
|
O2 .3262 .733 .0665 |
|
O3 .123 .314 .165 |
|
O4 .431 .781 .263 |
|
O5 .4241 .236 .470 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Er2 O5 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006085 |
|
_database_code_amcsd 0013846 |
|
10.7839 3.4745 12.4434 90 90 90 Pna2_1 |
|
atom x y z |
|
Er1 .207 .226 0 |
|
Er2 .0414 .222 .3300 |
|
Cu1 .9911 .653 .112 |
|
Cu2 .2593 .669 .215 |
|
O1 .176 .727 .357 |
|
O2 .322 .713 .059 |
|
O3 .124 .319 .167 |
|
O4 .427 .773 .259 |
|
O5 .424 .227 .476 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 O5 Tm2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006086 |
|
_database_code_amcsd 0013847 |
|
10.7353 3.4575 12.3704 90 90 90 Pna2_1 |
|
atom x y z |
|
Tm1 .208 .234 0 |
|
Tm2 .040 .225 .3308 |
|
Cu1 .9892 .650 .114 |
|
Cu2 .2598 .672 .216 |
|
O1 .173 .724 .358 |
|
O2 .323 .722 .065 |
|
O3 .127 .304 .167 |
|
O4 .428 .776 .262 |
|
O5 .424 .228 .477 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 O5 Yb2 |
| |
Garcia-Munoz J, Rodriguez-Carvajal J |
| |
Journal of Solid State Chemistry 115 (1995) 324-331 |
|
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides |
|
by neutron diffraction |
|
_cod_database_code 1006087 |
|
_database_code_amcsd 0013848 |
|
10.7290 3.4355 12.3531 90 90 90 Pna2_1 |
|
atom x y z |
|
Yb1 .2088 .2269 0 |
|
Yb2 .0416 .2231 .3304 |
|
Cu1 .9907 .661 .113 |
|
Cu2 .2608 .661 .217 |
|
O1 .174 .729 .357 |
|
O2 .323 .718 .064 |
|
O3 .125 .313 .165 |
|
O4 .428 .778 .263 |
|
O5 .425 .228 .476 |
|
|
| 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 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000307 |
|
_database_code_amcsd 0015260 |
|
5.4535 5.4535 13.1010 90 90 120 R-3c |
|
atom x y z |
|
La1 0 0 .25 |
|
Ni1 0 0 0 |
|
O1 .5468 0 .25 |
|
|
| 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 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000308 |
|
_database_code_amcsd 0015261 |
|
5.4535 5.4535 13.1014 90 90 120 R-3c |
|
atom x y z |
|
La1 0 0 .25 |
|
Ni1 0 0 0 |
|
O1 .5468 0 .25 |
|
|
| 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 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000309 |
|
_database_code_amcsd 0015262 |
|
5.4536 5.4536 13.1062 90 90 120 R-3c |
|
atom x y z |
|
La1 0 0 .25 |
|
Ni1 0 0 0 |
|
O1 .5467 0 .25 |
|
|
| 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 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000310 |
|
_database_code_amcsd 0015263 |
|
5.4573 5.4573 13.1462 90 90 120 R-3c |
|
atom x y z |
|
La1 0 0 .25 |
|
Ni1 0 0 0 |
|
O1 .5456 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nd Ni O3 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000315 |
|
_database_code_amcsd 0015264 |
|
5.3824 5.3861 7.6066 90 90 90 Pbnm |
|
atom x y z |
|
Nd1 .994 .0384 .25 |
|
Ni1 .5 0 0 |
|
O1 .0731 .4919 .25 |
|
O2 .7116 .2866 .0387 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nd Ni O3 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000316 |
|
_database_code_amcsd 0015265 |
|
5.3836 5.3863 7.6078 90 90 90 Pbnm |
|
atom x y z |
|
Nd1 .9932 .0374 .25 |
|
Ni1 .5 0 0 |
|
O1 .0711 .4917 .25 |
|
O2 .7139 .2877 .0390 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nd Ni O3 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000317 |
|
_database_code_amcsd 0015266 |
|
5.3879 5.3797 7.6058 90 90 90 Pbnm |
|
atom x y z |
|
Nd1 .9972 .0360 .25 |
|
Ni1 .5 0 0 |
|
O1 .0710 .4903 .25 |
|
O2 .7120 .285 .0366 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nd Ni O3 |
| |
Garcia-Munoz J, Rodriguez-Carvajal, Lacorre P, Torrance J |
| |
Physical Review B - Condensed Matter 46 (1992) 4414-4425 |
|
Neutron-diffraction study of RNiO3 (R= La, Pr, Nd, Sm): |
|
Electronically induced structural changes across the metal-insulator |
|
transition |
|
_cod_database_code 1000318 |
|
_database_code_amcsd 0015267 |
|
5.3891 5.3816 7.6101 90 90 90 Pbnm |
|
atom x y z |
|
Nd1 .9941 .0343 .25 |
|
Ni1 .5 0 0 |
|
O1 .070 .4921 .25 |
|
O2 .7150 .2842 .0378 |
|
|
| 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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