|
Neighborite |
 |
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
 |
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 25 C |
|
_database_code_amcsd 0003924 |
|
5.2768 5.4213 7.5548 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9877 .0493 .25 .035 |
|
Mg 0 .5 0 .015 |
|
F1 .0892 .4677 .25 .027 |
|
F2 .6963 .2968 .0546 .029 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 200 C |
|
_database_code_amcsd 0003925 |
|
5.3047 5.4282 7.5864 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9856 .0455 .25 .036 |
|
Mg 0 .5 0 .014 |
|
F1 .0870 .4669 .25 .018 |
|
F2 .6951 .2956 .0481 .033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 400 C |
|
_database_code_amcsd 0003926 |
|
5.3350 5.4352 7.6227 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9893 .0377 .25 .038 |
|
Mg 0 .5 0 .012 |
|
F1 .0812 .4732 .25 .024 |
|
F2 .7000 .2952 .0461 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 600 C |
|
_database_code_amcsd 0003927 |
|
5.3678 5.4440 7.6587 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9930 .0296 .25 .051 |
|
Mg 0 .5 0 .021 |
|
F1 .0788 .4783 .25 .036 |
|
F2 .7017 .2970 .0408 .035 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 700 C |
|
_database_code_amcsd 0003928 |
|
5.3915 5.4532 7.6831 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9988 .0286 .25 .053 |
|
Mg 0 .5 0 .018 |
|
F1 .0697 .4842 .25 .034 |
|
F2 .7078 .2978 .0396 .044 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 800 C |
|
_database_code_amcsd 0003929 |
|
5.4162 5.4629 7.7092 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9980 .0242 .25 .064 |
|
Mg 0 .5 0 .025 |
|
F1 .0607 .4914 .25 .058 |
|
F2 .7028 .2884 .0407 .048 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 900 C |
|
_database_code_amcsd 0003930 |
|
5.4480 5.4677 7.7366 90 90 90 Pbnm |
|
atom x y z Uiso |
|
Na .9967 .0191 .25 .121 |
|
Mg 0 .5 0 .053 |
|
F1 .0307 .4788 .25 .580 |
|
F2 .7240 .2835 .0295 .077 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Chen J, Liu H, Martin C D, Parise J B, Weidner D J |
|
American Mineralogist 90 (2005) 1534-1539 |
|
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature |
|
Sample: P = 4 GPa, T = 1000 C, high-T polymorph |
|
_database_code_amcsd 0003931 |
|
3.8760 3.8760 3.8760 90 90 90 Pm-3m |
|
atom x y z Uiso |
|
Na 0 0 0 .111 |
|
Mg .5 .5 .5 .046 |
|
F .5 .5 0 .135 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Neighborite |
|
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (a), P = 27 GPa |
|
_database_code_amcsd 0004239 |
|
4.8904 5.2022 7.1403 90 90 90 Pbnm |
|
atom x y z |
|
Na .9771 .0802 .25 |
|
Mg 0 .5 0 |
|
F1 .1019 .4697 .25 |
|
F2 .6750 .3110 .0619 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (b), P = 54 GPa |
|
_database_code_amcsd 0004240 |
|
2.7145 8.393 6.8512 90 90 90 Cmcm |
|
atom x y z |
|
Na 0 .2567 .25 |
|
Mg 0 0 0 |
|
F1 .5 .4242 .25 |
|
F2 .5 .1402 .0676 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (c), P = 54 GPa |
|
_database_code_amcsd 0004241 |
|
2.7164 8.381 6.8487 90 90 90 Cmcm |
|
atom x y z |
|
Na 0 .2422 .25 |
|
Mg 0 0 0 |
|
F1 .5 .4433 .25 |
|
F2 .5 .1385 .0579 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NaMgF3 |
| |
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B |
|
American Mineralogist 91 (2006) 1703-1706 |
|
Rietveld structure refinement of perovskite and post-perovskite phases of |
|
NaMgF3 (neighborite) at high pressures |
|
Locality: synthetic |
|
Sample: (d), P = 54 GPa |
|
_database_code_amcsd 0004242 |
|
2.7143 8.393 6.846 90 90 90 Cmc2_1 |
|
atom x y z |
|
Na 0 .2531 .0036 |
|
Mg 0 .0129 .2556 |
|
F1 0 .9251 0 |
|
F2 0 .6286 .1551 |
|
F3 0 .6554 .7902 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: T = 2.0 K, P = 1 bar |
|
_database_code_amcsd 0004476 |
|
3.13451 9.87568 7.29518 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .25019 .25 .00185 |
|
Ir 0 0 0 .00113 |
|
O1 0 .92541 .25 .00217 |
|
O2 0 .62692 .05064 .00192 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: T = 100.0 K, P = 1 bar |
|
_database_code_amcsd 0004477 |
|
3.13493 9.87709 7.29562 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .25019 .25 .00219 |
|
Ir 0 0 0 .00141 |
|
O1 0 .92539 .25 .00238 |
|
O2 0 .62679 .05046 .00218 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: T = 205.0 K, P = 1 bar |
|
_database_code_amcsd 0004478 |
|
3.13622 9.88198 7.29871 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .25034 .25 .00343 |
|
Ir 0 0 0 .00185 |
|
O1 0 .92551 .25 .00303 |
|
O2 0 .62667 .05025 .00280 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: T = 293 K, P = 1 bar |
|
_database_code_amcsd 0004479 |
|
3.13645 9.88352 7.29903 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .25035 .25 .00576 |
|
Ir 0 0 0 .00251 |
|
O1 0 .92505 .25 .00428 |
|
O2 0 .62719 .05036 .00383 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Sample: T = 293 K |
|
_database_code_amcsd 0004480 |
|
3.13642 9.88337 7.29891 90 90 90 Cmc2_1 |
|
atom x y z Uiso |
|
Ca 0 .25049 -.0100 .00542 |
|
Ir 0 .00141 .2382 .00221 |
|
O1 0 .92506 -.0083 .00361 |
|
O2 0 .62985 .1910 .00361 |
|
O3 0 .62443 .7915 .00361 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Sample: T = 2.0 K |
|
_database_code_amcsd 0004481 |
|
3.13450 9.87576 7.29521 90 90 90 Cmc2_1 |
|
atom x y z Uiso |
|
Ca 0 .25028 -.0130 .00163 |
|
Ir 0 .0002 .2390 .00114 |
|
O1 0 .92547 -.00793 .00183 |
|
O2 0 .62873 .19165 .00183 |
|
O3 0 .62505 .79271 .00183 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Sample: P = 9.72 GPa, room temp |
|
_database_code_amcsd 0004482 |
|
3.1010 9.6588 7.2111 90 90 90 Cmc2_1 |
|
atom x y z Uiso |
|
Ca 0 .2467 -.0051 .0109 |
|
Ir 0 .0046 .2418 .0073 |
|
O1 0 .9228 -.0088 .0105 |
|
O2 0 .6304 .1868 .0105 |
|
O3 0 .6289 .7876 .0105 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 0.00 GPa |
|
_database_code_amcsd 0004483 |
|
3.14341 9.8816 7.3021 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2496 .25 .0145 |
|
Ir 0 0 0 .01033 |
|
O1 0 .92512 .25 .0144 |
|
O2 0 .62673 .04994 .0126 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 2.17 GPa |
|
_database_code_amcsd 0004484 |
|
3.1332 9.8271 7.2805 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2486 .25 .0136 |
|
Ir 0 0 0 .0094 |
|
O1 0 .92505 .25 .0136 |
|
O2 0 .62747 .0496 .0105 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 5.40 GPa |
|
_database_code_amcsd 0004485 |
|
3.1193 9.7505 7.2496 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2485 .25 .0090 |
|
Ir 0 0 0 .0128 |
|
O1 0 .92450 .25 .0124 |
|
O2 0 .62817 .0503 .0105 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 7.95 GPa |
|
_database_code_amcsd 0004486 |
|
3.1084 9.6931 7.2280 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2488 .25 .0083 |
|
Ir 0 0 0 .0126 |
|
O1 0 .92346 .25 .0125 |
|
O2 0 .62897 .0508 .0103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 9.72 GPa |
|
_database_code_amcsd 0004487 |
|
3.1011 9.6587 7.2111 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2470 .25 .0081 |
|
Ir 0 0 0 .0107 |
|
O1 0 .92290 .25 .0105 |
|
O2 0 .62965 .0506 .0098 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaIrO3 |
| |
Martin C D, Smith R I, Marshall W G, Parise J B |
| |
American Mineralogist 92 (2007) 1912-1918 |
|
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 |
|
post-perovskite investigated with time-of-flight neutron powder diffraction |
|
Note: Ca(z) and O(y) changed to match normal structure |
|
Sample: P = 9.68 GPa |
|
_database_code_amcsd 0004488 |
|
3.1015 9.6551 7.2141 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Ca 0 .2476 .25 .0093 |
|
Ir 0 0 0 .0112 |
|
O1 0 .92423 .25 .0126 |
|
O2 0 .63035 .0511 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
 |
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001657 |
|
_database_code_amcsd 0009884 |
|
3.8271 3.8271 12.385 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0859 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .21450 .52 |
|
Sr1 .5 .5 .21450 .48 |
|
Cu1 0 0 .3685 |
|
O1 .5 0 .3755 |
|
O2 0 0 .1629 |
|
O3 .5 .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
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
|
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001658 |
|
_database_code_amcsd 0009885 |
|
3.8356 3.8356 12.390 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0949 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .21615 .52 |
|
Sr1 .5 .5 .21615 .48 |
|
Cu1 0 0 .3698 |
|
O1 .5 0 .3744 |
|
O2 0 0 .1621 |
|
O3 .5 .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
|
| |
|
Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
| |
Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
|
Acta Crystallographica B51 (1995) 18-22 |
|
Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
|
_cod_database_code 1001659 |
|
_database_code_amcsd 0009886 |
|
3.8234 3.8234 12.384 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0862 0 0 .25 |
|
Ca1 .5 .5 .5 .78 |
|
Tl2 .5 .5 .5 .22 |
|
Ba1 .5 .5 .2128 .52 |
|
Sr1 .5 .5 .2128 .48 |
|
Cu1 0 0 .3675 |
|
O1 .5 0 .3749 |
|
O2 0 0 .164 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Li3 Nb O4 |
| |
Grenier J, Martin C, Durif A |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 87 (1964) 316-320 |
|
Etude cristallographique des orthoniobates et orthotantalates de lithium |
|
_cod_database_code 1007081 |
|
_database_code_amcsd 0012117 |
|
8.429 8.429 8.429 90 90 90 I23 |
|
atom x y z |
|
Nb1 .14 .14 .14 |
|
Li1 .375 .375 .125 |
|
O1 .39 .39 .39 |
|
O2 .35 .13 .115 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba O6 P2 |
| |
Grenier J, Martin C, Durif A, Tranqui D, Guitel J |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 24-31 |
|
Une nouvelle forme du metaphosphate de baryum Ba (P O3)2 |
|
_cod_database_code 1007050 |
|
_database_code_amcsd 0012121 |
|
4.510 13.44 8.36 90 90 90 P2_12_12_1 |
|
atom x y z |
|
Ba1 .255 .126 .198 |
|
P1 .715 .353 .226 |
|
P2 .215 .402 .429 |
|
O1 .385 .332 .295 |
|
O2 .885 .37 .386 |
|
O3 .715 .448 .127 |
|
O4 .785 .26 .136 |
|
O5 .76 .011 .126 |
|
O6 .815 .136 .421 |
|
|
| Download AMC data (View Text File)
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|
| |
|
SrK2(PO3)4 |
| |
Tordjman I, Martin C, Durif A |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 293-298 |
|
Structure cristalline du tetrametaphosphate de strontium-potassium: SrK2(PO3)4 |
|
_cod_database_code 1007061 |
|
_database_code_amcsd 0012126 |
|
7.445 7.445 10.17 90 90 90 I-4 |
|
atom x y z |
|
K1 0 0 .328 |
|
Sr1 0 .5 .25 |
|
P1 .154 .217 -.03 |
|
O1 .186 .06 .066 |
|
O2 .193 .385 .048 |
|
O3 .24 .189 -.16 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca H K3 O8 P2 |
| |
Grenier J, Durif A, Martin C |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 92 (1969) 30-32 |
|
Structure cristalline de Ca K3 H (P O4)2 |
|
_cod_database_code 1007057 |
|
_database_code_amcsd 0012129 |
|
9.880 5.733 7.432 90 94.10 90 C2/m |
|
atom x y z |
|
K1 0 0 0 |
|
K2 .334 0 .312 |
|
Ca1 0 0 .5 |
|
P1 .333 0 .739 |
|
O1 .367 0 .941 |
|
O2 .177 0 .721 |
|
O3 .417 .213 .683 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba3 Cu2 Hg O10 Sr Tl2 |
| |
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B |
| |
Chemistry of Materials 6 (1994) 1654-1658 |
|
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 |
|
_cod_database_code 1000369 |
|
_database_code_amcsd 0012201 |
|
3.8289 3.8289 41.75699 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Tl1 0 0 .2237 |
|
Cu1 0 0 .1135 |
|
Ba1 .5 .5 .0664 .75 |
|
Sr1 .5 .5 .0664 .25 |
|
Ba2 .5 .5 .1596 .75 |
|
Sr2 .5 .5 .1596 .25 |
|
O1 0 0 .050 |
|
O2 .5 0 .114 |
|
O3 0 0 .174 |
|
O4 .5 .5 .228 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.81 Cu2 O7 Sr2 Tl1.19 |
| |
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
| |
Chemistry of Materials 7 (1995) 1414-1418 |
|
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
|
_cod_database_code 1001666 |
|
_database_code_amcsd 0012204 |
|
3.7966 3.7966 12.092 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0793 0 0 .25 |
|
Ca1 .5 .5 .5 .81 |
|
Tl2 .5 .5 .5 .19 |
|
Sr1 .5 .5 .2165 |
|
Cu1 0 0 .3642 |
|
O1 0 .5 .3714 |
|
O2 0 0 .166 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.81 Cu2 O7 Sr2 Tl1.19 |
| |
Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
| |
Chemistry of Materials 7 (1995) 1414-1418 |
|
Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
|
_cod_database_code 1001667 |
|
_database_code_amcsd 0012205 |
|
3.7808 3.7808 12.0855 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0701 0 0 .25 |
|
Ca1 .5 .5 .5 .81 |
|
Tl2 .5 .5 .5 .19 |
|
Sr1 .5 .5 .2130 |
|
Cu1 0 0 .3622 |
|
O1 0 .5 .3709 |
|
O2 0 0 .1667 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tl3(CrO4)Sr8Cu4O16 |
| |
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B |
| |
Chemistry of Materials 8 (1996) 865-873 |
|
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long- |
|
range ordering between thallium and chromium |
|
_cod_database_code 1001725 |
|
_database_code_amcsd 0012210 |
|
3.778 15.244 17.67699 90 90 90 Amm2 |
|
atom x y z |
|
Tl1 0 .218 0 |
|
Tl2 0 0 0 |
|
Cr1 0 0 .5 |
|
Cu1 0 0 .7471 |
|
Cu2 0 0 .2529 |
|
Cu3 0 .25 .25 |
|
Sr1 .5 .121 .1523 |
|
Sr2 .5 .366 .1474 |
|
Sr3 .5 .134 .3526 |
|
Sr4 .5 .378 .3477 |
|
O1 .5 0 .267 |
|
O2 .5 0 .733 |
|
O3 .5 .25 .25 |
|
O4 0 .125 .2562 |
|
O5 0 .125 .7438 |
|
O6 0 0 .102 |
|
O7 0 0 .430 |
|
O8 0 0 .570 |
|
O9 0 0 .898 |
|
O10 0 .25 .108 |
|
O11 0 .25 .892 |
|
O12 .5 .125 0 |
|
O13 .5 .109 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
BaNi2(AsO4)2 |
| |
Eymond S, Durif A, Martin C |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 268 (1969) 1694-1696 |
|
Structure cristalline du monoarseniate de nickelbaryum: BaNi2(AsO4)2 |
|
_cod_database_code 1007068 |
|
_database_code_amcsd 0012278 |
|
4.945 4.945 23.61 90 90 120 R-3 |
|
atom x y z |
|
Ba1 0 0 0 |
|
As1 0 0 .427 |
|
Ni1 0 0 1/6 |
|
O1 0 0 .355 |
|
O2 .328 .328 .113 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca2 Cu3 O8.84 Tl0.93 |
| |
Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 27-32 |
|
Tl Ba2-x Ca2+x Cu3 O10-y : un supraconducteur a 120 K, nouveau |
|
terme d'une grande famille d'intercroissances de couches multiples |
|
types chlorure de sodium et de couches multiples de type perovskite |
|
deficitaires en oxygene |
|
_cod_database_code 1001373 |
|
_database_code_amcsd 0012301 |
|
3.844 3.844 15.88 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .93 |
|
Ba1 .5 .5 .3259 |
|
Ca1 .5 .5 .092 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .1934 |
|
O1 0 .5 0 |
|
O2 0 0 .10 .32 |
|
O3 0 .5 .204 .80 |
|
O4 0 0 .328 |
|
O5 .5 .5 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Cu O6 Sr Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001521 |
|
_database_code_amcsd 0012561 |
|
3.7988 3.7988 22.7109 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .042 0 .2019 .25 |
|
Ba1 .5 .5 .0830 .5 |
|
Sr1 .5 .5 .0830 .5 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .62 0 .207 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu O6 Sr2 Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001522 |
|
_database_code_amcsd 0012562 |
|
3.7464 3.7464 22.3013 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .044 0 .2009 .25 |
|
Sr1 .5 .5 .0806 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .58 0 .206 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu1.85 Fe0.3 O10 Sr4 Tl0.85 |
| |
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990 |
|
Stabilisation of a thallium oxycarbonate by trivalent iron: |
|
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7 |
|
_cod_database_code 1001793 |
|
_database_code_amcsd 0012611 |
|
3.8246 3.8246 16.5069 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .2125 |
|
Fe1 .069 0 0 .0175 |
|
Cu1 .069 0 0 .02 |
|
Sr1 .5 .5 .1587 |
|
Sr2 .5 .5 .3737 |
|
Cu2 0 0 .2634 .885 |
|
Fe2 0 0 .2634 .115 |
|
C1 0 0 .5 |
|
O1 .53 .5 0 .25 |
|
O2 0 0 .123 |
|
O3 .146 0 .418 .25 |
|
O4 .34 0 .5 .25 |
|
O5 .5 0 .271 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Cu2 Nd O7 Sr Tl |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
| |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001523 |
|
_database_code_amcsd 0013238 |
|
3.8798 3.8798 12.2573 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .081 0 0 .25 |
|
Ba1 .5 .5 .2084 .5 |
|
Sr1 .5 .5 .2084 .5 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3609 |
|
O1 0 .5 .376 |
|
O2 0 0 .174 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Nd O7 Sr2 Tl |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
| |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001524 |
|
_database_code_amcsd 0013239 |
|
3.8503 3.8503 12.0724 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .25 |
|
Sr1 .5 .5 .2092 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3581 |
|
O1 0 .5 .366 |
|
O2 0 0 .176 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu2 O7 Sr Tl Y |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
| |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001525 |
|
_database_code_amcsd 0013240 |
|
3.8421 3.8421 12.2064 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .085 0 0 .25 |
|
Ba1 .5 .5 .2098 .5 |
|
Sr1 .5 .5 .2098 .5 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 .3638 |
|
O1 0 .5 .391 |
|
O2 0 0 .179 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 O7 Sr2 Tl Y |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
| |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001526 |
|
_database_code_amcsd 0013241 |
|
3.8157 3.8157 11.9963 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .060 0 0 .25 |
|
Sr1 .5 .5 .2101 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 .3638 |
|
O1 0 .5 .378 |
|
O2 0 0 .173 |
|
O3 .5 .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 Ca1.9 Cu3 O10.94 Tl1.82 |
| |
Hervieu M, Michel C, Maignan A, Martin C, Raveau B |
| |
Journal of Solid State Chemistry 74 (1988) 428-432 |
|
The 125 K Superconductor Tl2-x Ba2 Ca2 Cu3 O10+d: A Tentative |
|
Structural Model |
|
_cod_database_code 1001366 |
|
_database_code_amcsd 0013617 |
|
3.85 3.85 35.6 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .2185 .879 |
|
Ba1 0 0 .6428 |
|
Ca1 0 0 .5432 .97 |
|
Tl2 0 0 .5432 .03 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .0995 |
|
O1 0 .5 0 |
|
O2 0 0 .049 .47 |
|
O3 0 .5 .095 |
|
O4 0 0 .155 |
|
O5 0 0 .718 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca Cu2 O7 Tl |
| |
Hervieu M, Maignan A, Martin C, Michel C, Provost J, Raveau B |
| |
Journal of Solid State Chemistry 75 (1988) 212-215 |
|
A New Member of the Thallium Superconductive Series. The "1212" Oxide |
|
Tl Ba2 Ca Cu2 O8-y: Importance of Oxygen Content |
|
_cod_database_code 1001367 |
|
_database_code_amcsd 0013619 |
|
3.833 3.833 12.68 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .5 |
|
Ba1 0 0 .287 |
|
Tl2 0 0 0 .1 |
|
Ca1 0 0 0 .9 |
|
Cu1 .5 .5 .130 .95 |
|
O1 0 .5 .125 |
|
O2 .5 .5 .323 |
|
O3 0 0 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu O5 Pr0.6 Sr1.6 Tl0.8 |
| |
Bourgault D, Martin C, Michel C, Hervieu M, Provost J, Raveau B |
| |
Journal of Solid State Chemistry 78 (1989) 326-328 |
|
Tl1-x Prx Sr2-y Pry Cu O5-delta: First Member of the Family |
|
Tl A2 Cam-1 Cum O2m+ (A= Ba, Sr) |
|
_cod_database_code 1001404 |
|
_database_code_amcsd 0013645 |
|
3.741 3.741 8.875 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .8 |
|
Pr1 0 0 .5 .2 |
|
Sr1 .5 .5 .205 .8 |
|
Pr2 .5 .5 .205 .2 |
|
Cu1 0 0 0 |
|
O1 0 0 .259 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
| |
|
Ba2 Ca Cu2 O8 Tl2 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
| |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001532 |
|
_database_code_amcsd 0013724 |
|
3.8565 3.8565 29.3122 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2134 .915 |
|
Ca1 .5 .5 .2134 .085 |
|
Ba1 0 0 .1216 |
|
Ca2 0 0 0 .83 |
|
Tl2 0 0 0 .17 |
|
Cu1 .5 .5 .0535 |
|
O1 0 .5 .0508 |
|
O2 .5 .5 .1428 |
|
O3 .5 .5 .2793 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca Cu2 O8 Tl1.81 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
| |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001533 |
|
_database_code_amcsd 0013725 |
|
3.8489 3.8489 29.3153 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2132 .860 |
|
Ca1 .5 .5 .2132 .045 |
|
Ba1 0 0 .1213 |
|
Ca2 0 0 0 .91 |
|
Tl2 0 0 0 .09 |
|
Cu1 .5 .5 .0545 |
|
O1 0 .5 .0510 |
|
O2 .5 .5 .1461 |
|
O3 .5 .5 .2838 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Cu2 Hg1.88 O10 Pr2 |
| |
Huve M, Martin C, Maignan A, Michel C, Van Tendeloo G, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 114 (1995) 230-235 |
|
A new cuprate with mercury bilayers: the "2222" oxide |
|
Hg2-xMxBa2Pr2Cu2O10-d (M=Cu,Pr) |
|
_cod_database_code 1001639 |
|
_database_code_amcsd 0013835 |
|
3.9072 3.9072 17.21919 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z occ |
|
Hg1 .75 .75 .4377 .94 |
|
Cu1 .75 .75 .1743 |
|
Ba1 .25 .25 .2916 |
|
Pr1 .25 .25 .0762 |
|
O1 .25 .75 0 |
|
O2 .75 .25 .175 |
|
O3 .75 .75 .312 |
|
O4 .25 .25 .448 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 |
| |
Hervieu M, Van Tendeloo G, Michel C, Martin C, Maignan A, Raveau B |
| |
Journal of Solid State Chemistry 115 (1995) 525-531 |
|
Synthesis and characterization of mercury-based "1222" cuprates |
|
(Hg1-xMx) (Sr,Ba)2 Pr2 Cu2 O9-d |
|
_cod_database_code 1001650 |
|
_database_code_amcsd 0013858 |
|
3.8642 3.8642 29.56799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .3 |
|
Tl1 0 0 0 .7 |
|
Sr1 0 0 .5847 |
|
Pr1 0 0 .7055 |
|
Cu1 0 0 .1480 |
|
O1 0 0 .068 |
|
O2 0 .5 .1482 |
|
O3 0 .5 .25 |
|
O4 0 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 |
| |
Maignan A, Martin C, Michel C, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 116 (1995) 347-354 |
|
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide |
|
Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d |
|
_cod_database_code 1001652 |
|
_database_code_amcsd 0013864 |
|
3.7352 7.5749 17.9657 90 90 90 Ammm |
|
atom x y z occ |
|
Hg1 0 0 0 .8 |
|
Cu1 0 0 0 .2 |
|
Ce1 0 .5 0 |
|
La1 .5 .25 .1477 .3 |
|
Sr1 .5 .25 .1477 .7 |
|
Cu2 0 0 .25 |
|
O1 0 0 .1124 |
|
O2 0 0 .6124 |
|
O3 .5 0 .25 |
|
O4 0 .25 .25 |
|
O5 .5 .340 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y |
| |
Seshadri R, Maignan A, Hervieu M, Martin C, Raveau B, Rao C |
| |
Journal of Solid State Chemistry 127 (1996) 64-71 |
|
Substitution of chromium for univalent copper in superconducting |
|
Pb2Sr2(Ca,Y)Cu3O8+d |
|
_cod_database_code 1001749 |
|
_database_code_amcsd 0013903 |
|
5.3860 5.4195 15.720 90 90 90 Cmmm |
|
atom x y z occ |
|
Pb1 0 .5 .3870 .875 |
|
Ca1 0 .5 .3870 .1 |
|
Sr1 0 0 .2208 |
|
Y1 0 0 0 |
|
Cu1 0 0 .5 .85 |
|
Cr1 0 0 .5 .15 |
|
Cu2 0 .5 .1084 |
|
O1 0 .5 .2625 |
|
O2 0 0 .385 |
|
O3 .25 .25 .1007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba3 Cu3 O19 Sr5 Tl5 |
| |
Letouze F, Martin C, Hervieu M, Michel C, Maignan A, Raveau B |
| |
Journal of Solid State Chemistry 128 (1997) 150-155 |
|
A new structure related to the layered cuprates: the "1201" shear-like |
|
phase Tl5Ba3Sr5Cu3O19, third member of the series (TlA2CuO5)m . (Tl2A2O4) |
|
_cod_database_code 1001803 |
|
_database_code_amcsd 0013914 |
|
3.7536 30.631 9.219 90 90 90 A2mm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Tl2 0 .1128 .5 |
|
Tl3 0 .2397 .5 |
|
Ba1 .5 .0615 .2011 .275 |
|
Sr1 .5 .0615 .2011 .725 |
|
Ba2 .5 .1844 .2152 .475 |
|
Sr2 .5 .1844 .2152 .525 |
|
Cu1 0 0 0 |
|
Cu2 0 .1212 0 |
|
O1 .5 0 0 |
|
O2 .5 .1212 0 |
|
O3 0 0 .263 |
|
O4 0 .1212 .263 |
|
O5 0 .0606 0 |
|
O6 .5 .056 .5 |
|
O7 .5 .176 .5 |
|
O8 0 .25 .25 |
|
O9 0 .186 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ce0.15 Cu Hg0.85 O4.15 |
| |
Letouze F, Huve M, Martin C, Maignan A, Michel C, Hervieu M, Raveau B |
| |
Materials Research Bulletin 31 (1996) 657-663 |
|
Introduction of lanthanide on the mercury site of the HgBa2CuO4 superconductor |
|
_cod_database_code 1001755 |
|
_database_code_amcsd 0014374 |
|
3.8801 3.8801 9.495 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .85 |
|
Ce1 0 0 0 .15 |
|
Ba1 .5 .5 .2985 |
|
Cu1 0 0 .5 |
|
O1 .5 0 .5 |
|
O2 0 0 .202 |
|
O3 .5 .5 0 .15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba3 Cl2 O5 Tl2 |
| |
Letouze F, Martin C, Pelloquin D, Michel C, Hervieu M, Raveau B |
| |
Materials Research Bulletin 31 (1996) 773-780 |
|
A thallium oxychloride closely related to the Sr3Ti2O7 and YBaFeCuO5 |
|
structures: Ba3Tl2O5Cl2 |
|
_cod_database_code 1001756 |
|
_database_code_amcsd 0014375 |
|
4.3499 4.3499 25.36699 90 90 90 I4/mmm |
|
atom x y z |
|
Tl1 0 0 .5828 |
|
Ba1 0 0 0 |
|
Ba2 0 0 .1643 |
|
Cl1 0 0 .7095 |
|
O1 0 0 .5 |
|
O2 0 .5 .0907 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 O10 Pb0.5 Sr4 Tl0.5 |
| |
Hervieu M, Michel C, Huve M, Martin C, Maignan A, Raveau B |
| |
Microscopy, Microanalysis, Microstructures 4 (1993) 41-50 |
|
High resolution electron microscopy study of the high Tc |
|
superconductor Tl0.5Pb0.5Sr4Cu2CO3O7 |
|
_cod_database_code 1001597 |
|
_database_code_amcsd 0014410 |
|
3.8244 3.8244 16.51599 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .083 0 0 .125 |
|
Pb1 .083 0 0 .125 |
|
Sr1 .5 .5 .1596 |
|
Sr2 .5 .5 .3725 |
|
Cu1 0 0 .2654 |
|
C1 0 0 .5 |
|
O1 .67 .5 0 .25 |
|
O2 0 0 .121 |
|
O3 .162 0 .414 .25 |
|
O4 .316 0 .5 .25 |
|
O5 .5 0 .277 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca1.07 Cu2 O8 Tl1.93 |
| |
Maignan A, Michel C, Hervieu M, Martin C, Groult D, Raveau B |
| |
Modern Physics Letters B 2 (1988) 681-687 |
|
Tl2Ba2CaCu2O8: structure and superconductivity |
|
_cod_database_code 1001420 |
|
_database_code_amcsd 0014653 |
|
3.86 3.86 29.388 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2147 .9 |
|
Ca1 .5 .5 .2147 .1 |
|
Ba1 0 0 .1220 |
|
Ca2 0 0 0 .87 |
|
Tl2 0 0 0 .13 |
|
Cu1 .5 .5 .0558 |
|
O1 0 .5 .053 |
|
O2 .5 .5 .145 |
|
O3 .5 .5 .297 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59 |
| |
Martin C, Provost J, Bourgault D, Domenges B, Michel C, Hervieu M, Raveau B |
| |
Physica C 157 (1989) 460-468 |
|
Structural peculiarities of the "1212" superconductor Tl.5Pb.5Sr2CaCu2O5 |
|
_cod_database_code 1001411 |
|
_database_code_amcsd 0015013 |
|
3.795 3.795 12.094 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .5 .48 |
|
Pb1 .5 .5 .5 .5 |
|
Ca1 .5 .5 .5 .02 |
|
Sr1 0 0 .2808 |
|
Ca2 0 0 0 .89 |
|
Tl2 0 0 0 .11 |
|
Cu1 .5 .5 .135 |
|
O1 0 .5 .135 |
|
O2 .5 .5 .305 |
|
O3 .08 .08 .5 .25 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001484 |
|
_database_code_amcsd 0015022 |
|
3.85638 3.85638 12.6534 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0846 0 0 .240 |
|
Ba1 .5 .5 .2147 |
|
Ca1 .5 .5 .5 .8 |
|
Nd1 .5 .5 .5 .2 |
|
Cu1 0 0 .3717 |
|
O1 0 .5 .3779 |
|
O2 0 0 .1594 |
|
O3 .5524 .5 0 .215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001485 |
|
_database_code_amcsd 0015023 |
|
3.87677 3.87677 12.6045 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0771 0 0 .237 |
|
Ba1 .5 .5 .2134 |
|
Ca1 .5 .5 .5 .5 |
|
Nd1 .5 .5 .5 .5 |
|
Cu1 0 0 .3696 |
|
O1 0 .5 .3780 |
|
O2 0 0 .1613 |
|
O3 .5712 .5 0 .215 |
|
|
| 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 Nd O6.96 Tl0.96 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001486 |
|
_database_code_amcsd 0015024 |
|
3.91021 3.91021 12.4916 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0717 0 0 .24 |
|
Ba1 .5 .5 .2055 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3633 |
|
O1 0 .5 .3785 |
|
O2 0 0 .1662 |
|
O3 .6199 .5 0 .24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba1.6 Cu2 La2.4 O9 Tl |
| |
Martin C, Maignan A, Huve M, Hervieu M, Michel C, Raveau B |
| |
Physica C 179 (1991) 1-8 |
|
TlBa2-xLa2+xCu2O9+d: a new 42K superconductor, intergrowth of |
|
"1201" and "0201" structures |
|
_cod_database_code 1001483 |
|
_database_code_amcsd 0015025 |
|
3.8110 3.8110 31.556 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 0 0 0 |
|
Ba1 .5 .5 .0850 .8 |
|
La1 .5 .5 .0850 .2 |
|
La2 .5 .5 .2044 |
|
Cu1 0 0 .1466 |
|
O1 .5 .5 0 |
|
O2 0 0 .063 |
|
O3 .5 0 .1458 |
|
O4 0 0 .218 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu La O5 Sr Tl |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
| |
Physica C 179 (1991) 214-226 |
|
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
|
structure and superconductivity |
|
_cod_database_code 1001487 |
|
_database_code_amcsd 0015026 |
|
3.7796 3.7796 8.8466 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Sr1 .5 .5 .2058 .5 |
|
La1 .5 .5 .2058 .5 |
|
Cu1 0 0 0 |
|
O1 0 0 .263 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
| |
|
Cu La0.6 O5 Sr1.4 Tl |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
| |
Physica C 179 (1991) 214-226 |
|
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
|
structure and superconductivity |
|
_cod_database_code 1001488 |
|
_database_code_amcsd 0015027 |
|
3.7535 3.7535 8.9038 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Sr1 .5 .5 .2061 .7 |
|
La1 .5 .5 .2061 .3 |
|
Cu1 0 0 0 |
|
O1 0 0 .259 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
| |
|
Cu La0.7 O5 Sr Tl1.3 |
| |
Huve M, Michel C, Martin C, Hervieu M, Maignan A, Provost J, Raveau B |
| |
Physica C 179 (1991) 214-226 |
|
The "1201"-phase of the "Tl-Sr-La-Cu-O" system. Homogeneity range, |
|
structure and superconductivity |
|
_cod_database_code 1001489 |
|
_database_code_amcsd 0015028 |
|
3.7713 3.7713 8.8676 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Sr1 .5 .5 .2044 .5 |
|
La1 .5 .5 .2044 .35 |
|
Tl2 .5 .5 .2044 .15 |
|
Cu1 0 0 0 |
|
O1 0 0 .281 |
|
O2 .5 .5 .5 |
|
O3 .5 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
|
| |
|
Ba2 Ce0.5 Cu2 Eu1.5 O9 Tl |
| |
Liu R, Hervieu M, Michel C, Maignan A, Martin C, Raveau B, Edwards P |
| |
Physica C 197 (1992) 131-135 |
|
TlBa2(Eu,Ce)2Cu2O9+d, a new member of the double fluorite-type |
|
cuprate family. Structure and possible induced superconductivity by |
|
oxygen high-pressure annealing |
|
_cod_database_code 1001540 |
|
_database_code_amcsd 0015037 |
|
3.8784 3.8784 30.415 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .082 0 0 .25 |
|
Ba1 .5 .5 .0872 |
|
Eu1 .5 .5 .2087 .75 |
|
Ce1 .5 .5 .2087 .25 |
|
Cu1 0 0 .1520 |
|
O1 0 .5 .1554 |
|
O2 0 0 .0831 |
|
O3 .5 .5 0 |
|
O4 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
|
| |
|
Ba Ca2 Cu3 O9 Sr Tl |
| |
Martin C, Huve M, Hervieu M, Maignan A, Michel C, Raveau B |
| |
Physica C 201 (1992) 362-368 |
|
A 116K superconductor with "1223" structure: TlBaSrCa2Cu3O9-d |
|
_cod_database_code 1001515 |
|
_database_code_amcsd 0015039 |
|
3.8316 3.8316 15.5926 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .084 0 0 .25 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .2892 |
|
Ba1 .5 .5 .1698 .5 |
|
Sr1 .5 .5 .1698 .5 |
|
Ca1 .5 .5 .3939 |
|
O1 .5 0 .5 |
|
O2 .5 0 .302 |
|
O3 0 0 .126 |
|
O4 .5 .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
|
| |
|
Cu2 O10 Pb0.5 Sr4 Tl0.5 |
| |
Huve M, Michel C, Maignan A, Hervieu M, Martin C, Raveau B |
| |
Physica C 205 (1993) 219-224 |
|
A 70 K superconductor. The oxycarbonate Tl0.5Pb0.5Sr4Cu2(CO3)O7 |
|
_cod_database_code 1001579 |
|
_database_code_amcsd 0015040 |
|
3.8244 3.8244 16.516 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .083 0 0 .125 |
|
Pb1 .083 0 0 .125 |
|
Sr1 .5 .5 .1596 |
|
Sr2 .5 .5 .3725 |
|
Cu1 0 0 .2654 |
|
C1 0 0 .5 |
|
O1 .67 .5 0 .25 |
|
O2 0 0 .121 |
|
O3 .162 0 .414 .25 |
|
O4 .316 0 .5 .25 |
|
O5 .5 0 .277 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Gd2 O9 Pb0.5 Sr2 Tl0.5 |
| |
Vijayaraghavan R, Michel C, Maignan A, Hervieu M, Martin C, Raveau B, Rao C |
| |
Physica C 206 (1993) 81-89 |
|
Structure and properties of Tl0.5Pb0.5Sr2Gd2-xCexCu2O9-d |
|
_cod_database_code 1001580 |
|
_database_code_amcsd 0015041 |
|
3.8385 3.8385 29.5815 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .055 0 0 .125 |
|
Pb1 .055 0 0 .125 |
|
Sr1 0 0 .5866 |
|
Gd1 0 0 .7062 |
|
Cu1 0 0 .1493 |
|
O1 0 0 .0734 |
|
O2 0 .5 .1487 |
|
O3 0 .5 .25 |
|
O4 .5 .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
|
| |
|
Ce0.4 Cu2 Gd1.6 O9 Pb0.5 Sr2 Tl0.5 |
| |
Vijayaraghavan R, Michel C, Maignan A, Hervieu M, Martin C, Raveau B, Rao C |
| |
Physica C 206 (1993) 81-89 |
|
Structure and properties of Tl0.5Pb0.5Sr2Gd2-xCexCu2O9-d |
|
_cod_database_code 1001581 |
|
_database_code_amcsd 0015042 |
|
3.8429 3.8429 29.5096 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .027 0 0 .125 |
|
Pb1 .027 0 0 .125 |
|
Sr1 0 0 .5878 |
|
Gd1 0 0 .7076 .8 |
|
Ce1 0 0 .7076 .2 |
|
Cu1 0 0 .1477 |
|
O1 0 0 .0734 |
|
O2 0 .5 .1484 |
|
O3 0 .5 .25 |
|
O4 .5 .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
|
| |
|
Bi0.5 Cu2 O10 Sr4 Tl0.5 |
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Maignan A, Huve M, Michel C, Hervieu M, Martin C, Raveau B |
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Physica C 208 (1993) 149-154 |
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A 55 K superconducting copper oxycarbonate: Tl1-xBixSr4Cu2CO3O7 |
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_cod_database_code 1001584 |
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_database_code_amcsd 0015045 |
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3.8309 3.8309 16.518 90 90 90 P4/mmm |
|
atom x y z occ |
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Tl1 .077 0 0 .125 |
|
Bi1 .077 0 0 .125 |
|
Sr1 .5 .5 .1608 |
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Sr2 .5 .5 .3733 |
|
Cu1 0 0 .2641 |
|
C1 0 0 .5 |
|
O1 .67 .5 0 .25 |
|
O2 0 0 .125 |
|
O3 .13 0 .426 .25 |
|
O4 .34 0 .5 .25 |
|
O5 .5 0 .268 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Ba4 Cu2 Hg O10 Tl2 |
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Martin C, Huve M, Van Tendeloo G, Maignan A, Michel C, Hervieu M, Raveau B |
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Physica C 212 (1993) 274-278 |
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A mercury-based superconducting cuprate, intergrowth of the 2201 and |
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1201 structures Tl2HgBa4Cu2O10+y |
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_cod_database_code 1001575 |
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_database_code_amcsd 0015055 |
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3.8584 3.8584 42.2031 90 90 90 I4/mmm |
|
atom x y z |
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Hg1 0 0 0 |
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Tl1 0 0 .2240 |
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Cu1 0 0 .1134 |
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Ba1 .5 .5 .0673 |
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Ba2 .5 .5 .1598 |
|
O1 0 0 .050 |
|
O2 .5 0 .114 |
|
O3 0 0 .180 |
|
O4 .5 .5 .229 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 |
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Martin C, Maignan A, Huve M, Labbe P, Ledesert M, Leligny H, Raveau B |
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Physica C 217 (1993) 106-112 |
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A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K. |
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A single-crystal study. |
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_cod_database_code 1001576 |
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_database_code_amcsd 0015060 |
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3.8274 3.8274 15.524 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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Tl1 .0872 0 0 .25 .046 .024 .081 0 0 0 |
|
Cu1 0 0 .5 .0067 .0067 .009 0 0 0 |
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Cu2 0 0 .2902 .0078 .0078 .011 0 0 0 |
|
Ba1 .5 .5 .1690 .36 .0070 .0070 .0097 0 0 0 |
|
Sr1 .5 .5 .1690 .64 .0070 .0070 .0097 0 0 0 |
|
Ca1 .5 .5 .3931 .92 .0065 .0065 .010 0 0 0 |
|
Tl2 .5 .5 .3931 .08 .0065 .0065 .010 0 0 0 |
|
O1 .5 0 .5 .004 .026 .021 0 0 0 |
|
O2 .5 0 .2964 .006 .009 .020 0 0 0 |
|
O3 0 0 .131 .021 .021 .012 0 0 0 |
|
O4 .5 .5 0 .030 .030 .004 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2 |
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Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B |
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Physica C 222 (1994) 19-26 |
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Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x |
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Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7 |
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_cod_database_code 1001631 |
|
_database_code_amcsd 0015062 |
|
3.8116 3.8116 12.1337 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .065 0 0 .175 |
|
Hg1 .065 0 0 .075 |
|
Sr1 .5 .5 .2145 |
|
Nd1 .5 .5 .5 .23 |
|
Ca1 .5 .5 .5 .77 |
|
Cu1 0 0 .3609 |
|
O1 .5 .5 0 |
|
O2 0 0 .168 |
|
O3 0 .5 .371 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 Hg0.3 O10 Pb0.7 Sr4 |
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Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B |
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Physica C 222 (1994) 19-26 |
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Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x |
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Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7 |
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_cod_database_code 1001632 |
|
_database_code_amcsd 0015063 |
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3.8242 3.8242 16.46809 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .069 0 0 .175 |
|
Hg1 .069 0 0 .075 |
|
Sr1 .5 .5 .1583 |
|
Sr2 .5 .5 .3733 |
|
Cu1 0 0 .2631 |
|
C1 0 0 .5 |
|
O1 .5 .5 0 |
|
O2 0 0 .123 |
|
O3 .5 0 .270 |
|
O4 .153 0 .428 .25 |
|
O5 .332 0 .5 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 |
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Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B |
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Physica C 232 (1994) 387-395 |
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(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal. |
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A structural and magnetic study |
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_cod_database_code 1001634 |
|
_database_code_amcsd 0015068 |
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3.7922 3.7922 12.0661 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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Tl1 .0575 0 0 .1675 .031 .0137 .0046 0 0 0 |
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Bi1 .0575 0 0 .0825 .031 .0137 .0046 0 0 0 |
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Ca1 .5 .5 .5 .89 .0083 .0083 .0091 0 0 0 |
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Tl2 .5 .5 .5 .11 .0083 .0083 .0091 0 0 0 |
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Sr1 .5 .5 .2170 .0101 .0101 .0124 0 0 0 |
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Cu1 0 0 .3642 .0058 .0058 .0106 0 0 0 |
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O1 0 .5 .3693 .012 .010 .014 0 0 0 |
|
O2 0 0 .1660 .016 .016 .010 0 0 0 |
|
O3 .411 .411 0 .25 .016 .016 .02 -.01 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Cu Mo0.2 O5 Sr2 Tl0.8 |
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Letouze F, Martin C, Maignan A, Michel C, Hervieu M, Raveau B |
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Physica C 254 (1995) 33-43 |
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Stabilization of new superconducting thallium cuprates and |
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oxycarbonates by molybdenum |
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_cod_database_code 1001716 |
|
_database_code_amcsd 0015073 |
|
3.7511 3.7511 8.939 90 90 90 P4/mmm |
|
atom x y z occ |
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Tl1 .061 0 .5 .2 |
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Mo1 .061 0 .5 .05 |
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Cu1 0 0 0 |
|
Sr1 .5 .5 .2034 |
|
O1 .628 .5 .5 .25 |
|
O2 .5 0 0 |
|
O3 0 0 .278 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 Mo0.2 O10 Sr4 Tl0.8 |
| |
Letouze F, Martin C, Maignan A, Michel C, Hervieu M, Raveau B |
| |
Physica C 254 (1995) 33-43 |
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Stabilization of new superconducting thallium cuprates and |
|
oxycarbonates by molybdenum |
|
_cod_database_code 1001717 |
|
_database_code_amcsd 0015074 |
|
3.8251 3.8251 16.42899 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .077 0 0 .2 |
|
Mo1 .077 0 0 .05 |
|
Sr1 .5 .5 .1590 |
|
Sr2 .5 .5 .374 |
|
Cu1 0 0 .2655 |
|
C1 0 0 .5 |
|
O1 .617 .5 0 .25 |
|
O2 .5 0 .2688 |
|
O3 0 0 .1196 |
|
O4 .134 0 .425 .25 |
|
O5 .355 0 .5 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cr Cu4 O19.9 Sr8 Tl3 |
| |
Michel C, Letouze F, Martin C, Hervieu M, Raveau B |
| |
Physica C 262 (1996) 159-167 |
|
Neutron diffraction structure determination of the superconducting |
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copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 |
|
_cod_database_code 1001761 |
|
_database_code_amcsd 0015077 |
|
3.7803 15.2573 17.67369 90 90 90 A2mm |
|
atom x y z occ |
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Tl1 0 .2218 0 |
|
Tl2 0 0 0 |
|
Cr1 0 .459 0 .5 |
|
Cu1 0 0 .2602 |
|
Cu2 0 .25 .25 |
|
Sr1 .5 .1224 .1518 |
|
Sr2 .5 .3658 .1472 |
|
O1 .5 0 .2602 |
|
O2 .5 .25 .25 .950 |
|
O3 0 .125 .2582 |
|
O4 0 0 .1128 |
|
O5 0 0 .4183 |
|
O6 0 .2475 .1114 |
|
O7 .5 .118 0 |
|
O8 .354 .391 0 .5 |
|
O9 .646 .391 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499 |
| |
Michel C, Hervieu M, Martin C, Maignan A, Huve M, Raveau B |
| |
Physica C 271 (1996) 111-121 |
|
Modulated ordering of bismuth and strontium in the "1201" cuprate |
|
(Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d |
|
_cod_database_code 1001763 |
|
_database_code_amcsd 0015079 |
|
3.7619 3.7619 8.9984 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) |
|
Tl1 .062 0 .5 .1625 |
|
Bi1 .062 0 .5 .080 |
|
Sr1 .5 .5 .2018 .930 .0069 .0069 .0209 0 0 0 |
|
Bi2 .5 .5 .2018 .070 .0069 .0069 .0209 0 0 0 |
|
Cu1 0 0 0 |
|
O1 .5 0 0 .98 .0017 .0069 .0242 0 0 0 |
|
O2 .412 .412 .5 .255 .0129 .0129 .0193 -.0028 0 0 |
|
O3 0 0 .2779 1.005 .0152 .0152 .0041 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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