|
Malayaite |
 |
Groat L A, Kek S, Bismayer U, Schmidt C, Krane H G, Meyer H, Nistor L, |
|
Van Tendeloo G |
 |
American Mineralogist 81 (1996) 595-602 |
|
A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman |
|
spectroscopic study of malayaite, CaSnSiO5 |
|
_database_code_amcsd 0001792 |
|
7.1535 8.8933 6.6674 90 113.342 90 A2/a |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .75 .68196 .5 .00409 .00420 .00476 0 .00151 0 |
|
Sn .5 .5 0 .00362 .00417 .00494 -.00018 .00143 .00004 |
|
Ca .25000 .66262 .5 .03240 .00486 .00753 0 -.00129 0 |
|
O1 .75 .58681 0 .00540 .00570 .01340 0 .00470 0 |
|
O2 .91140 .56776 .67552 .00956 .00797 .00561 .00298 .00154 .00154 |
|
O3 .37224 .71195 .89032 .00910 .00600 .00758 .00252 .00414 .00072 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 O9 Sr4 Tl0.965 |
| |
Daniel P, Barbey L, Groult D, Nguyen N, Van Tendeloo G, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 235-244 |
|
Mixed valent iron oxides with the 0201-1201 intergrowth structure: |
|
(Pb1-x Tlx) Sr4 Fe2 O9 (0 |
|
_cod_database_code 1001629 |
|
_database_code_amcsd 0012587 |
|
3.8048 3.8048 30.46799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .083 0 0 .2412 |
|
Sr1 .5 .5 .0829 |
|
Sr2 .5 .5 .2049 |
|
Fe1 0 0 .1490 |
|
O1 .137 0 .5 .25 |
|
O2 0 0 .0684 |
|
O3 .5 0 .1431 |
|
O4 0 0 .2144 |
|
|
| 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 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) Download CIF data (View Text File) Download diffraction data (View Text File) 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) 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 Ca0.4 Cu2 Hg0.73 O6.6 Y0.6 |
| |
Maignan A, Van Tendeloo G, Hervieu M, Michel C, Raveau B |
|   |
Physica C 212 (1993) 239-244 |
|
A new "1212" mercury-based 90K superconductor: Y0.6Ca0.4Ba2(Hg1-xMx)Cu2O6+y |
|
_cod_database_code 1001572 |
|
_database_code_amcsd 0015054 |
|
3.870 3.870 12.537 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .73 |
|
Ba1 .5 .5 .2137 |
|
Y1 .5 .5 .5 .6 |
|
Ca1 .5 .5 .5 .4 |
|
Cu1 0 0 .3728 |
|
O1 0 0 .163 |
|
O2 0 .5 .385 |
|
O3 .5 .5 0 .6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba4 Cu2 Hg O10 Tl2 |
| |
Martin C, Huve M, Van Tendeloo G, Maignan A, Michel C, Hervieu M, Raveau B |
|   |
Physica C 212 (1993) 274-278 |
|
A mercury-based superconducting cuprate, intergrowth of the 2201 and |
|
1201 structures Tl2HgBa4Cu2O10+y |
|
_cod_database_code 1001575 |
|
_database_code_amcsd 0015055 |
|
3.8584 3.8584 42.2031 90 90 90 I4/mmm |
|
atom x y z |
|
Hg1 0 0 0 |
|
Tl1 0 0 .2240 |
|
Cu1 0 0 .1134 |
|
Ba1 .5 .5 .0673 |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5 |
| |
Pelloquin D, Michel C, Van Tendeloo G, Maignan A, Hervieu M, Raveau B |
|   |
Physica C 214 (1993) 87-92 |
|
A new "1201" mercury cuprate. The 27K-superconductor Hg0.5Bi0.5Sr2-xLaxCuO5-d |
|
_cod_database_code 1001573 |
|
_database_code_amcsd 0015056 |
|
3.7753 3.7753 8.8765 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .5 |
|
Bi1 0 0 0 .5 |
|
Sr1 .5 .5 .2948 .75 |
|
La1 .5 .5 .2948 .25 |
|
Cu1 0 0 .5 |
|
O1 .5 0 .5 |
|
O2 0 0 .228 |
|
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
|
|   |
|
Bi0.5 Ca0.4 Cu2 Hg0.5 Nd0.6 O6.6 Sr2 |
| |
Pelloquin D, Hervieu M, Michel C, Van Tendeloo G, Maignan A, Raveau B |
|   |
Physica C 216 (1993) 257-263 |
|
A 94K Hg-based superconductor with a "1212" structure |
|
Hg0.5Bi0.5Sr2Ca1-xRxCu2O6+d (R=Nd,Y,Pr) |
|
_cod_database_code 1001574 |
|
_database_code_amcsd 0015058 |
|
3.8259 3.8259 12.0029 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .5 |
|
Bi1 0 0 0 .5 |
|
Sr1 .5 .5 .2121 |
|
Cu1 0 0 .3592 |
|
Ca1 .5 .5 .5 .4 |
|
Nd1 .5 .5 .5 .6 |
|
O1 .5 0 .373 |
|
O2 0 0 .167 |
|
O3 .5 .5 0 .6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.77 Cu2 Hg0.3 Nd0.23 O7 Pb0.7 Sr2 |
| |
Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B |
|   |
Physica C 222 (1994) 19-26 |
|
Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x |
|
Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7 |
|
_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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 Hg0.3 O10 Pb0.7 Sr4 |
| |
Martin C, Hervieu M, Huve M, Michel C, Maignan A, Van Tendeloo G, Raveau B |
|   |
Physica C 222 (1994) 19-26 |
|
Lead-mercury-based superconductors. The 1212 cuprate Pb0.7Hg0.3Sr2+x |
|
Ca0.7Nd0.3-xCu2O7-d and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2(CO3)O7 |
|
_cod_database_code 1001632 |
|
_database_code_amcsd 0015063 |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca2 Cu3 Hg0.692 O8.6 |
| |
Kopnin E, Antipov E, Capponi J, Bordet P, Chaillout C, de Brion S, |
|
Marezio M, Bobylev A, Van Tendeloo G |
|   |
Physica C 243 (1995) 222-232 |
|
Suppression of superconductivity in Hg-1223 and Hg-1234 by partial |
|
replacement of Hg by carbon |
|
_cod_database_code 1008674 |
|
_database_code_amcsd 0016560 |
|
3.86521 3.86521 15.6486 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 .5 .692 .029 .029 -.001 0 0 0 |
|
Ba1 .5 .5 .3276 |
|
Ca1 .5 .5 .1059 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .2041 |
|
O1 .5 0 0 |
|
O2 .5 0 .1990 |
|
O3 0 0 .388 |
|
O4 .5 .5 .5 .60 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.