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Natrolite |
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Seryotkin Y V, Bakakin V V, Fursenko B A, Belitsky I A, Joswig W, Radaelli P G |
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European Journal of Mineralogy 17 (2005) 305-313 |
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Structural evolution of natrolite during over-hydration: a high-pressure |
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neutron diffraction study |
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Note: Zeolite |
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Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa |
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_database_code_amcsd 0007098 |
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18.2126 18.5695 6.5741 90 90 90 Fdd2 |
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atom x y z occ Uiso |
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Na -.0254 .2162 .389 .96 .019 |
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Mg -.0254 .2162 .389 .03 .019 |
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Ca -.0254 .2162 .389 .01 .019 |
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Al .0344 .0940 .609 .008 |
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Si1 0 0 0 .007 |
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Si2 -.0985 .0370 .365 .003 |
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O1 .0229 .0687 .866 .007 |
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O2 .0695 .1823 .612 .003 |
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O3 .0984 .0353 .497 .018 |
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O4 -.0476 .0971 .468 .010 |
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O5 -.0687 .0238 .137 .037 |
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Ow6 .0557 .1916 .111 .74 .015 |
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D61 .0520 .1472 .058 .74 .015 |
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D62 .1065 .1901 .178 .74 .015 |
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Ow7' .118 .354 .399 .18 .013 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Natrolite |
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Seryotkin Y V, Bakakin V V, Fursenko B A, Belitsky I A, Joswig W, Radaelli P G |
| |
European Journal of Mineralogy 17 (2005) 305-313 |
|
Structural evolution of natrolite during over-hydration: a high-pressure |
|
neutron diffraction study |
|
Note: Zeolite |
|
Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa |
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_database_code_amcsd 0007099 |
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18.8971 19.3142 6.4833 90 91.5835 90 Fd |
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atom x y z occ Uiso |
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Na1 -.0209 .2180 .386 .96 .035 |
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Mg1 -.0209 .2180 .386 .03 .035 |
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Ca1 -.0209 .2180 .386 .01 .035 |
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Na10 .0329 .2862 .876 .96 .029 |
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Mg10 .0329 .2862 .876 .03 .029 |
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Ca10 .0329 .2862 .876 .01 .029 |
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Al1 .0472 .0857 .6125 .010 |
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Al10 -.0393 -.0883 .6036 .016 |
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Si1 0 .0047 0 .006 |
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Si2 -.0885 .0432 .3580 .018 |
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Si20 .0942 -.0433 .3761 .005 |
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O1 .0236 .0706 .8678 .012 |
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O10 -.0185 -.0609 .856 .024 |
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O2 .0867 .1676 .603 .014 |
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O20 -.0802 -.1700 .599 .016 |
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O3 .1042 .0203 .5325 .017 |
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O30 -.0960 -.0264 .490 .018 |
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O4 -.0290 .0932 .455 .025 |
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O40 .0361 -.0972 .455 .019 |
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O5 -.0699 .0232 .1252 .015 |
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O50 .0637 -.0188 .1539 .016 |
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Ow6 .0550 .1935 .117 .018 |
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Ow60 -.1036 .3337 .599 .5 .046 |
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Ow7 .0331 .3171 .521 .071 |
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Ow70 -.0606 .1973 .767 .043 |
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D61 .0520 .1526 .051 .064 |
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D62 .0994 .2007 .191 .054 |
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D601 -.055 .328 .630 .40 .09 |
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D602 -.069 .368 .545 .35 .04 |
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D603 -.123 .318 .715 .18 .046 |
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D604 -.141 .350 .484 .12 .046 |
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D71 .014 .368 .469 .60 .071 |
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D72 .092 .315 .493 .50 .071 |
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D73 .055 .357 .411 .44 .071 |
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D74 .064 .309 .387 .40 .071 |
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D701 -.0518 .1550 .828 .079 |
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D702 -.1072 .2111 .809 .070 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cu Hg O4.12 |
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Marezio M, Alexandre E, Bordet P, Capponi J, Chaillout C, Kopnin E, |
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Loureiro S, Radaelli P, Van Tendeloo G |
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Journal of Superconductivity 8 (1995) 507-510 |
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Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d |
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_cod_database_code 1008723 |
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_database_code_amcsd 0016607 |
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3.87320 3.87320 9.48088 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 .0165 .0165 .0166 0 0 0 |
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Ba1 .5 .5 .29520 |
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Cu1 0 0 .5 |
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O1 .5 0 .5 |
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O2 0 0 .2068 .037 .037 .002 0 0 0 |
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O3 .5 .5 0 .12 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bi O3 Sr |
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Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
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Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
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Nature (London) 390 (1997) 148-150 |
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Discovery of a second family of bismuth-oxide-based superconductors |
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_cod_database_code 1008815 |
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_database_code_amcsd 0016685 |
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5.9480 6.0951 8.4854 90 90.063 90 P2_1/n |
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atom x y z |
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Sr1 -.0152 .5455 .251 |
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Bi1 0 0 0 |
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Bi2 0 0 .5 |
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O1 .4056 .4617 .241 |
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O2 .284 .190 .546 |
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O3 .187 .714 .556 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Bi K0.56 O3 Sr0.44 |
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Kazakov S, Chaillout C, Bordet P, Capponi J, Nunez-Regueiro M, |
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Rysak A, Tholence J, Radaelli P, Putilin S, Antipov E |
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Nature (London) 390 (1997) 148-150 |
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Discovery of a second family of bismuth-oxide-based superconductors |
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_cod_database_code 1008816 |
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_database_code_amcsd 0016686 |
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5.9416 5.9416 8.4394 90 90 90 I4/mcm |
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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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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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 |
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_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 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Ba2 Cu Hg0.88 O4.87 S0.18 |
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Bordet P, Loureiro S, LeFloch S, Capponi J, Chaillout C, Chenavas J, |
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Tholence J, Antipov E, Radaelli P, Marezio M |
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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 |
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_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 |
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O4 .330 .372 0 .045 |
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O5 0 -.095 .138 .045 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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