|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001452 |
|
_database_code_amcsd 0012633 |
|
3.8128 3.8806 11.6303 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1826 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3542 |
|
O1 0 0 .1595 |
|
O2 .5 0 .3773 |
|
O3 0 .5 .3769 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001453 |
|
_database_code_amcsd 0012634 |
|
3.8124 3.8807 11.6303 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1830 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3543 |
|
O1 0 0 .1592 |
|
O2 .5 0 .3764 |
|
O3 0 .5 .3773 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001454 |
|
_database_code_amcsd 0012635 |
|
3.8131 3.8806 11.6329 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1827 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3547 |
|
O1 0 0 .1590 |
|
O2 .5 0 .3771 |
|
O3 0 .5 .3773 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001455 |
|
_database_code_amcsd 0012636 |
|
3.8141 3.8812 11.6395 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1827 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3545 |
|
O1 0 0 .1588 |
|
O2 .5 0 .3775 |
|
O3 0 .5 .3770 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001456 |
|
_database_code_amcsd 0012637 |
|
3.8164 3.8824 11.6546 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1841 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3547 |
|
O1 0 0 .1587 |
|
O2 .5 0 .3768 |
|
O3 0 .5 .3776 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu3 O7 Y |
| |
Capponi J, Chaillout C, Hewat A, Lejay P, Marezio M, Nguyen N, Raveau B, |
|
Soubeyroux J, Tholence J, Tournier R |
| |
Europhysics Letters 3 (1987) 1301-1307 |
|
Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by |
|
Neutron Powder Diffraction |
|
_cod_database_code 1001457 |
|
_database_code_amcsd 0012638 |
|
3.8206 3.8851 11.6757 90 90 90 Pmmm |
|
atom x y z |
|
Ba1 .5 .5 .1841 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3549 |
|
O1 0 0 .1581 |
|
O2 .5 0 .3779 |
|
O3 0 .5 .3777 |
|
O4 0 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Li0.93 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
| |
Journal of Alloys and Compounds 195 (1993) 81-84 |
|
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008595 |
|
_database_code_amcsd 0016486 |
|
8.398 8.398 8.398 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .26261 .26261 .26261 .00614 .00614 .00614 -.00032 -.00032 -.00032 |
|
Li1 .125 .125 .125 .93 .0110 .0110 .0110 0 0 0 |
|
Ti1 .5 .5 .5 .9978 .00584 .00584 .00584 -.00083 -.00083 -.00083 |
|
Ti2 0 0 0 .0022 .00584 .00584 .00584 -.00083 -.00083 -.00083 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Li0.89 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
| |
Journal of Alloys and Compounds 195 (1993) 81-84 |
|
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008596 |
|
_database_code_amcsd 0016487 |
|
8.387 8.387 8.387 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .26267 .26267 .26267 .00698 .00698 .00698 -.00020 -.00020 -.00020 |
|
Li1 .125 .125 .125 .89 .0120 .0120 .0120 0 0 0 |
|
Ti1 .5 .5 .5 .9925 .00689 .00689 .00689 -.00084 -.00084 -.00084 |
|
Ti2 0 0 0 .0075 .00689 .00689 .00689 -.00084 -.00084 -.00084 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Li0.86 O4 Ti2 |
| |
Moshopoulou E, Bordet P, Capponi J, Chaillout C, Souletie B, Sulpice A |
| |
Journal of Alloys and Compounds 195 (1993) 81-84 |
|
Evolution of structure and superconductivity with lithium content in Li1-xTi2O4 |
|
_cod_database_code 1008597 |
|
_database_code_amcsd 0016488 |
|
8.386 8.386 8.386 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
O1 .26220 .26220 .26220 .0077 .0077 .0077 .00000 .00000 .00000 |
|
Li1 .125 .125 .125 .86 .0108 .0108 .0108 0 0 0 |
|
Ti1 .5 .5 .5 .9816 .00802 .00802 .00802 -.00074 -.00074 -.00074 |
|
Ti2 0 0 0 .0184 .00802 .00802 .00802 -.00074 -.00074 -.00074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba3.04 Bi3.37 K0.96 Na0.63 O12 |
| |
Chaillout C, Durr J, Escribe-Filippini C, Fournier T, Marcus J, Marezio M |
| |
Journal of Solid State Chemistry 93 (1991) 63-68 |
|
Structure determination of a new perovskite phase in the Ba K-Bi-Na-O system |
|
_cod_database_code 1008911 |
|
_database_code_amcsd 0016778 |
|
8.54 8.54 8.54 90 90 90 Im3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .25 .25 .25 .760 .0110 .0110 .0110 .00393 .00393 .00393 |
|
K1 .25 .25 .25 .240 .0110 .0110 .0110 .00393 .00393 .00393 |
|
Bi1 0 0 0 .369 .0039 .0039 .0039 0 0 0 |
|
Na1 0 0 0 .631 .0039 .0039 .0039 0 0 0 |
|
Bi2 0 .5 .5 .00286 .00306 .00306 0 0 0 |
|
O1 .2648 0 0 .006 .028 .028 0 0 0 |
|
O2 .25 0 .5 .004 .036 .036 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
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008644 |
|
_database_code_amcsd 0016533 |
|
5.55548 7.84868 5.55349 90 90 90 Pnma |
|
atom x y z |
|
La1 .0295 .25 .9951 |
|
V1 .5 0 0 |
|
O1 .4880 .25 .0707 |
|
O2 .2831 .0387 .7168 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008645 |
|
_database_code_amcsd 0016534 |
|
5.55810 7.83421 5.54862 90 90 90 Pnma |
|
atom x y z |
|
La1 .0318 .25 .9954 |
|
V1 .5 0 0 |
|
O1 .4876 .25 .0724 |
|
O2 .2848 .0392 .7168 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008646 |
|
_database_code_amcsd 0016535 |
|
5.59360 7.75951 5.56490 90 90 90.1250 P2_1/a |
|
atom x y z |
|
La1 .0334 .25 .9924 |
|
V1 .5 0 0 |
|
V2 0 .5 .5 |
|
O1 .4885 .25 .0716 |
|
O2 .2789 .0377 .7134 |
|
O3 .7119 .5391 .2792 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
La O3 V |
| |
Bordet P, Chaillout C, Marezio M, Huang Q, Santoro A, Cheong S, |
|
Takagi H, Oglesby C, Batlogg B |
| |
Journal of Solid State Chemistry 106 (1993) 253-270 |
|
Structural aspects of the crystallographic-magnetic transition in |
|
LaVO3 around 140 K |
|
_cod_database_code 1008647 |
|
_database_code_amcsd 0016536 |
|
5.5917 7.7516 5.5623 90 90 90.129 P2_1/a |
|
atom x y z |
|
La1 .0341 .25 .9917 |
|
V1 .5 0 0 |
|
V2 0 .5 .5 |
|
O1 .4900 .25 .0710 |
|
O2 .2776 .0381 .7144 |
|
O3 .7104 .5389 .2833 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu Hg O4.12 |
| |
Marezio M, Alexandre E, Bordet P, Capponi J, Chaillout C, Kopnin E, |
|
Loureiro S, Radaelli P, Van Tendeloo G |
| |
Journal of Superconductivity 8 (1995) 507-510 |
|
Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d |
|
_cod_database_code 1008723 |
|
_database_code_amcsd 0016607 |
|
3.87320 3.87320 9.48088 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 0 0 0 .0165 .0165 .0166 0 0 0 |
|
Ba1 .5 .5 .29520 |
|
Cu1 0 0 .5 |
|
O1 .5 0 .5 |
|
O2 0 0 .2068 .037 .037 .002 0 0 0 |
|
O3 .5 .5 0 .12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu4 O8.06 Y |
| |
Karpinski J, Kaldis E, Rusiecki S, Jilek E, Fischer P, Bordet P, Chaillout C, |
|
Chenavas J, Hodeau J, Marezio M |
| |
Journal of the Less-Common Metals 150 (1989) 129-137 |
|
Two New Bulk Superconducting Phases in the Y-Ba-Cu-O System: Y Ba2 |
|
Cu3.5 O7+x (Tc 40K) and Y Ba2 Cu4 O8+x (Tc 80K) |
|
_cod_database_code 1008448 |
|
_database_code_amcsd 0016353 |
|
3.8415 3.8707 27.240 90 90 90 Ammm |
|
atom x y z occ |
|
Y1 .5 .5 0 |
|
Ba1 .5 .5 .1356 |
|
Cu1 0 0 .2127 |
|
Cu2 0 0 .0614 |
|
O1 0 0 .1454 |
|
O2 .5 0 .0524 |
|
O3 0 .5 .0528 |
|
O4 0 .5 .2187 .996 |
|
O5 .5 0 .254 .032 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu La2 O4 |
| |
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M, |
|
Morosin B, Schirber J |
| |
Materials Research Society Symposia Proceedings 169 (1990) 47-52 |
|
Structural aspects of the phase separation in La2CuO4.032 |
|
_cod_database_code 1008572 |
|
_database_code_amcsd 0016463 |
|
5.350 13.148 5.398 90 90 90 Cmca |
|
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 .36111 .0069 .0055 .0030 .0022 0 0 .0002 |
|
Cu1 0 0 0 .0042 .0050 .0001 0 0 0 |
|
O1 0 .18307 -.0356 .943 .0077 .0040 .0123 0 0 -.0014 |
|
O2 .25 .99303 .75 .993 .0055 .0094 .0023 0 .0007 0 |
|
O3 .030 .182 .100 .024 |
|
O4 .25 .243 .25 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu La2 O4.024 |
| |
Chaillout C, Bordet P, Chenavas J, Cheong S, Fisk Z, Marezio M, |
|
Morosin B, Schirber J |
| |
Materials Research Society Symposia Proceedings 169 (1990) 47-52 |
|
Structural aspects of the phase separation in La2CuO4.032 |
|
_cod_database_code 1008573 |
|
_database_code_amcsd 0016464 |
|
5.350 13.148 5.398 90 90 90 Fmmm |
|
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 .36109 0 .0076 .0029 .0019 0 0 0 |
|
Cu1 0 0 0 .005 .0050 .001 0 0 0 |
|
O1 0 .1813 0 .80 .012 .001 .059 0 0 0 |
|
O2 .25 0 .75 .996 .008 .0191 .00001 0 -.0007 0 |
|
O3 -.01 .191 .046 .05 |
|
O4 .25 .25 .75 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2.1 Cu3 O6 Y0.9 |
| |
Bordet P, Chaillout C, Capponi J, Chenavas J, Marezio M |
| |
Nature 327 (1987) 687-689 |
|
Crystal structure of Y0.9 Ba2.1 Cu3 O6, a compound related to |
|
the high-Tc superconductor Y Ba2 Cu3 O7. |
|
_cod_database_code 1008355 |
|
_database_code_amcsd 0016266 |
|
3.8715 3.8715 11.738 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .1921 .0105 .0105 .0148 0 0 0 |
|
Y1 .5 .5 .5 .89 .0051 .0051 .0111 0 0 0 |
|
Ba2 .5 .5 .5 .11 .0051 .0051 .0111 0 0 0 |
|
Cu1 0 0 0 .0193 .0193 .017 0 0 0 |
|
Cu2 0 0 .3605 .0029 .0029 .0129 0 0 0 |
|
O1 0 0 .154 .018 .018 .010 0 0 0 |
|
O2 .5 0 .3794 .003 .009 .015 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
|
| |
|
Ba4 Cu7 O14.3 Y2 |
| |
Bordet P, Chaillout C, Chenavas J, Hodeau J, Marezio M, Karpinski J, Kaldis E |
| |
Nature (London) 334 (1988) 596-598 |
|
Structure Determination of the new high-temperature Superconductor |
|
Y Ba Cu O (2/4/7/14.30) |
|
_cod_database_code 1008369 |
|
_database_code_amcsd 0016279 |
|
3.851 3.869 50.29 90 90 90 Ammm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .04310 .0141 .0147 .0094 0 0 0 |
|
Ba2 .5 .5 .18797 .0059 .0063 .0070 0 0 0 |
|
Y1 .5 .5 .11545 .0003 -.0017 .0009 0 0 0 |
|
Cu1 0 0 0 .042 .047 .020 0 0 0 |
|
Cu2 0 0 .08293 .0033 .0053 .0084 0 0 0 |
|
Cu3 0 0 .14831 .0027 .0045 .0071 0 0 0 |
|
Cu4 0 0 .23012 .7 .011 .0048 .0015 0 0 0 |
|
Cu5 0 0 .23012 .3 .011 .0048 .0015 0 0 0 |
|
O1 0 0 .0353 .010 .09 .10 0 0 0 |
|
O2 .5 0 .0871 |
|
O3 0 .5 .0865 |
|
O4 .5 0 .1430 |
|
O5 0 .5 .1432 |
|
O6 0 0 .1937 |
|
O7 0 .5 .2328 |
|
O8 0 .5 0 .10 |
|
O9 .5 0 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
|
| |
|
Bi O3 Sr |
| |
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
|
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
| |
Nature (London) 390 (1997) 148-150 |
|
Discovery of a second family of bismuth-oxide-based superconductors |
|
_cod_database_code 1008815 |
|
_database_code_amcsd 0016685 |
|
5.9480 6.0951 8.4854 90 90.063 90 P2_1/n |
|
atom x y z |
|
Sr1 -.0152 .5455 .251 |
|
Bi1 0 0 0 |
|
Bi2 0 0 .5 |
|
O1 .4056 .4617 .241 |
|
O2 .284 .190 .546 |
|
O3 .187 .714 .556 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bi K0.56 O3 Sr0.44 |
| |
Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
|
Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
| |
Nature (London) 390 (1997) 148-150 |
|
Discovery of a second family of bismuth-oxide-based superconductors |
|
_cod_database_code 1008816 |
|
_database_code_amcsd 0016686 |
|
5.9416 5.9416 8.4394 90 90 90 I4/mcm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr1 0 .5 .75 .44 |
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K1 0 .5 .75 .56 |
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Bi1 0 0 0 |
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O1 0 0 .25 .033 .033 .009 0 0 0 |
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O2 .2219 .7219 0 .011 .011 .060 0 0 0 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cl Cu3 O8 Pb3 Sr3 |
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Cava R, Bordet P, Capponi J, Chaillout C, Chenavas J, Fournier T, |
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Hewat E, Hodeau J, Levy J, Marezio M, Batlogg B, Rupp |
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Physica C 167 (1990) 67-74 |
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Pb3Sr3Cu3O8+$-deltaCl: a new layered copper oxychloride |
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_cod_database_code 1008489 |
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_database_code_amcsd 0016382 |
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5.444 5.495 19.49 90 90 90 Cmmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 0 0 .40972 .0206 .0180 .0141 0 0 0 |
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Sr1 .5 0 .27579 .0179 .0159 .0230 0 0 0 |
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Pb2 .5 0 .09985 .5 .0119 .0116 .0273 0 0 0 |
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Sr2 .5 0 .09985 .5 .0119 .0116 .0273 0 0 0 |
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Cu1 .5 0 .5 .0191 .0183 .0067 0 0 0 |
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Cu2 0 0 .18304 .0149 .0131 .0167 0 0 0 |
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O1 0 0 .30277 |
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O2 .4288 .0743 .4126 .25 |
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O3 .25 .25 .17446 |
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Cl1 0 0 0 .0250 .0306 .0777 0 0 0 |
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| Download AMC data (View Text File)
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Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73 |
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Chaillout C, Chmaissen O, Capponi J, Fournier T, McIntyre G, Marezio M |
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Physica C 175 (1991) 293-300 |
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The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single- |
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crystal neutron diffraction |
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_cod_database_code 1008713 |
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_database_code_amcsd 0016597 |
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5.3835 5.4091 15.784 90 90 90 Pman |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 0 .5035 .38695 .020 .013 .0060 0 0 -.002 |
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Sr1 0 -.0010 .21959 .984 .011 .007 .0083 0 0 .006 |
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Ca1 0 0 0 .27 .013 .003 .0066 0 0 .006 |
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Y1 0 0 0 .73 .013 .003 .0066 0 0 .006 |
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Cu1 0 0 .5 .989 .16 .018 .0095 0 0 .002 |
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Cu2 0 .5010 .10597 .990 .006 .018 .0084 0 0 .003 |
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O1 0 .4955 .25177 .965 .012 .016 .0066 0 0 .004 |
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O2 0 -.0630 .3844 .900 .120 .0116 .0060 0 0 -.0009 |
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O3 .25 .25 .0943 .009 .005 .0146 .002 0 0 |
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O4 .25 .25 -.0951 .009 .005 .0146 .002 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba Cu O5.05 Sr |
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Chaillout C, Huang Q, Cava R, Chenavas J, Santoro A, Bordet P, |
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Hodeau J, Krajewski J, Levy J, Marezio M, Peck W |
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Physica C 195 (1992) 335-344 |
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Synthesis and crystal structure of BaSrCuO2+xCO3 |
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_cod_database_code 1008567 |
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_database_code_amcsd 0016458 |
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5.5899 5.5899 7.7153 90 90 90 P4/mbm |
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atom x y z occ |
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Ba1 0 0 .2115 .5 |
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Sr1 0 0 .2423 .5 |
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Cu1 .5 0 0 |
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C1 .5 0 .5 |
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O1 .3434 .8434 .4553 .2625 |
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O2 .2509 .7509 .0187 .5 |
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O3 .4672 .9672 .3286 .25 |
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O4 .4140 .9140 .3771 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Ca2 Cu3 Hg0.692 O8.6 |
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Kopnin E, Antipov E, Capponi J, Bordet P, Chaillout C, de Brion S, |
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Marezio M, Bobylev A, Van Tendeloo G |
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Physica C 243 (1995) 222-232 |
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Suppression of superconductivity in Hg-1223 and Hg-1234 by partial |
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replacement of Hg by carbon |
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_cod_database_code 1008674 |
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_database_code_amcsd 0016560 |
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3.86521 3.86521 15.6486 90 90 90 P4/mmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Hg1 0 0 .5 .692 .029 .029 -.001 0 0 0 |
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Ba1 .5 .5 .3276 |
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Ca1 .5 .5 .1059 |
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Cu1 0 0 0 |
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Cu2 0 0 .2041 |
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O1 .5 0 0 |
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O2 .5 0 .1990 |
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O3 0 0 .388 |
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O4 .5 .5 .5 .60 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3 |
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Bordet P, Le Floch S, Capponi J, Chaillout C, Gorius M, Marezio M, Tholence J, Radaelli P |
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Physica C 262 (1996) 151-158 |
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Gold substitution in mercury cuprate superconductors |
|
_cod_database_code 1008771 |
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_database_code_amcsd 0016648 |
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3.8464 3.8464 15.739 90 90 90 P4/mmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Hg1 0 0 0 .69 .006 .006 .048 0 0 0 |
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Au1 0 0 0 .17 .006 .006 .048 0 0 0 |
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Ba1 .5 .5 .1728 .015 .015 .031 0 0 0 |
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Ca1 .5 .5 .3978 |
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Cu1 0 0 .5 |
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Cu2 0 0 .2972 |
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O1 .5 0 .5 |
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O2 .5 0 .3004 |
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O3 0 0 .1204 .005 .005 .056 0 0 0 |
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O4 .5 .5 0 .30 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Au Ba2 Ca0.3 Cu2 O7 Y0.7 |
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Bordet P, LeFloch S, Chaillout C, Duc F, Gorius M, Perroux M, |
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Capponi J, Toulemonde P, Tholence J |
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Physica C 276 (1997) 237-244 |
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Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with |
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Tc above 80 K |
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_cod_database_code 1008814 |
|
_database_code_amcsd 0016684 |
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3.8298 3.8420 12.111 90 90 90 Pmmm |
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atom x y z occ |
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Au1 0 0 0 |
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Ba1 .5 .5 .199 |
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Y1 .5 .5 .5 .7 |
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Ca1 .5 .5 .5 .3 |
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Cu1 0 0 .363 |
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O1 0 0 .153 |
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O2 .5 0 .39 |
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O3 0 .5 .38 |
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O4 .19 .5 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Ba2 Cu Hg0.88 O4.87 S0.18 |
| |
Bordet P, Loureiro S, LeFloch S, Capponi J, Chaillout C, Chenavas J, |
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Tholence J, Antipov E, Radaelli P, Marezio M |
| |
Physica C 282 (1997) 65-68 |
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High pressure synthesis and structure of the superconducting mercury |
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cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S |
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_cod_database_code 1008817 |
|
_database_code_amcsd 0016687 |
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3.8986 3.8986 9.2466 90 90 90 P4/mmm |
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atom x y z occ |
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Hg1 0 0 0 .88 |
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Ba1 .5 .5 .2927 |
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Cu1 0 0 .5 |
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O1 0 .5 .5 |
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O2 0 0 .2153 |
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O3 .5 .5 0 .15 |
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S1 0 .139 0 .045 |
|
O4 .330 .372 0 .045 |
|
O5 0 -.095 .138 .045 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.78 O7 Y |
| |
Bordet P, Chaillout C, Fournier T, Marezio M, Kaldis E, Karpinski J, Jilek E |
| |
Physical Review B 47 (1993) 3465-3468 |
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Evidence by x-ray diffraction for two apical oxygen sites in a copper- |
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deficient Y Ba2 Cu2.78 O7 crystal |
|
_cod_database_code 1008857 |
|
_database_code_amcsd 0016723 |
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3.8764 3.8764 11.624 90 90 90 P4/mmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Y1 .5 .5 .5 .0046 .0046 .0085 0 0 0 |
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Ba1 .5 .5 .18937 .0147 .0147 .0114 0 0 0 |
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Cu1 0 0 0 .787 .0235 .0235 .0081 0 0 0 |
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Cu2 0 0 .3602 .0041 .0041 .0104 0 0 0 |
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O1 0 0 .143 .96 .0041 .0041 .09 0 0 0 |
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O2 .5 0 .3763 .006 .011 .011 0 0 0 |
|
O3 .5 0 0 .54 .30 .28 .015 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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