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Lueshite |
 |
Vousden P |
 |
Acta Crystallographica 4 (1951) 545-551 |
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The structure of ferroelectric sodium niobate at room temperature |
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Locality: synthetic |
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Note: this is a possible polymorph of lueshite |
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_database_code_amcsd 0018662 |
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5.504 5.568 15.52 90 90 90 P222_1 |
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atom x y z |
|
Na1 0 .519 .25 |
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Na2 .5 -.019 .25 |
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Na3 .519 0 .5 |
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Na4 -.019 .5 .5 |
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Nb1 .014 .005 .375 |
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Nb2 .514 .505 .375 |
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O1 .25 .25 .375 |
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O2 .75 .25 .375 |
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O3 .25 .75 .375 |
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O4 .75 .75 .375 |
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O5 0 .025 .25 |
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O6 .5 .475 .25 |
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O7 .025 0 .5 |
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O8 .475 .5 .5 |
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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 (permalink)
|
|
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Lueshite |
 |
Sakowski-Cowley A C, Lukaszewicz K, Megaw H D |
 |
Acta Crystallographica B25 (1969) 851-865 |
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The structure of sodium niobate at room temperature, |
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and the problem of reliability in pseudosymmetric structures |
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Locality: synthetic |
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_database_code_amcsd 0018684 |
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5.566 15.520 5.506 90 90 90 Pbma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 .75 0 .243 .0246 .0018 .0064 -.0005 0 0 |
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Na2 .782 .25 .239 .0086 .0007 .0072 0 -.0026 0 |
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Nb1 .2722 .1262 .2566 .0021 .0004 .0023 -.0003 -.0002 -.0002 |
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O1 .25 0 .304 .0011 .0003 .0089 -.0003 0 0 |
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O2 .233 .25 .191 .0009 .0004 .0064 0 .0012 0 |
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O3 .032 .140 .536 .0008 .0008 .0033 .0004 .0007 .0001 |
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O4 .467 .110 .966 .0093 .0007 .0018 .0008 .0011 .0002 |
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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 (permalink)
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Lueshite |
 |
Seidel P, Hoffmann W |
 |
Zeitschrift fur Kristallographie 143 (1976) 444-459 |
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Verfeinerung der kristallstruktur von NaNbO3 |
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N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes |
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Note T = 84 K |
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Note: this is a polymorph of lueshite |
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_database_code_amcsd 0010781 |
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7.8147 7.8147 7.8147 89.17 89.17 89.17 R3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 0 0 .0042 .0042 .0042 -.0003 -.0003 -.0003 |
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Na2 .5 .5 0 .0042 .0042 .0042 -.0003 -.0003 -.0003 |
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Nb1 .258 .258 .258 .0037 .0037 .0037 .0001 .0001 .0001 |
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Nb2 .758 .758 .258 .0037 .0037 .0037 .0001 .0001 .0001 |
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O1 .243 .525 .309 .004 .002 .004 -.001 -.001 -.001 |
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O2 .243 .025 .809 .004 .002 .004 -.001 -.001 -.001 |
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O3 .743 .525 .809 .004 .002 .004 -.001 -.001 -.001 |
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O4 .743 .025 .309 .004 .002 .004 -.001 -.001 -.001 |
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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 (permalink)
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Lueshite |
 |
Xu H, Su Y, Balmer M L, Navrotsky A |
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Chemistry of Materials 15 (2003) 1872-1878 |
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A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x |
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system: synthesis, crystal chemistry, and energetics |
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Note: x = 0.00 |
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Locality: synthetic |
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_database_code_amcsd 0018687 |
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5.5625 15.5495 5.5138 90 90 90 Pbma |
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atom x y z Uiso |
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Na1 .75 0 .234 .0149 |
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Na2 .743 .25 .240 .0149 |
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Nb1 .2583 .1260 .2462 .0040 |
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O1 .25 0 .3110 .0069 |
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O2 .2402 .25 .1817 .0069 |
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O3 .0679 .1397 .5443 .0069 |
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O4 .4919 .1102 -.0119 .0069 |
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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 (permalink)
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|
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Lueshite |
 |
Xu H, Su Y, Balmer M L, Navrotsky A |
|
Chemistry of Materials 15 (2003) 1872-1878 |
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A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x |
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system: synthesis, crystal chemistry, and energetics |
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Note: x = 0.05 |
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Locality: synthetic |
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_database_code_amcsd 0018688 |
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5.5528 15.5597 5.5140 90 90 90 Pbma |
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atom x y z occ Uiso |
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Na1 .75 0 .230 .0165 |
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Na2 .742 .25 .248 .0165 |
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Nb1 .2598 .1267 .2415 .95 .0045 |
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Ti1 .2598 .1267 .2415 .05 .0045 |
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O1 .25 0 .2944 .9833 .0069 |
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O2 .2485 .25 .1796 .0069 |
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O3 .0699 .1387 .5433 .9833 .0069 |
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O4 .4948 .1090 -.0176 .0069 |
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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 (permalink)
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|
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Lueshite |
 |
Xu H, Su Y, Balmer M L, Navrotsky A |
|
Chemistry of Materials 15 (2003) 1872-1878 |
|
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x |
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system: synthesis, crystal chemistry, and energetics |
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Note: x = 0.1 |
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Locality: synthetic |
|
_database_code_amcsd 0018689 |
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5.5428 15.5632 5.5094 90 90 90 Pbma |
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atom x y z occ Uiso |
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Na1 .75 0 .244 .0074 |
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Na2 .746 .25 .256 .0074 |
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Nb1 .2612 .1253 .2390 .9 .0047 |
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Ti1 .2612 .1253 .2390 .1 .0047 |
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O1 .25 0 .2752 .9667 .0066 |
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O2 .2533 .25 .1735 .0066 |
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O3 .0612 .1373 .5401 .9667 .0066 |
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O4 .4945 .1065 -.0234 .0066 |
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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 (permalink)
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|
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Lueshite |
 |
Xu H, Su Y, Balmer M L, Navrotsky A |
|
Chemistry of Materials 15 (2003) 1872-1878 |
|
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x |
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system: synthesis, crystal chemistry, and energetics |
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Note: x = 0.15 |
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Locality: synthetic |
|
_database_code_amcsd 0018690 |
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5.5396 15.5705 5.5087 90 90 90 Pbma |
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atom x y z occ Uiso |
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Na1 .75 0 .238 .0090 |
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Na2 .744 .25 .254 .0090 |
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Nb1 .2602 .1252 .2377 .85 .0030 |
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Ti1 .2602 .1252 .2377 .15 .0030 |
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O1 .25 0 .2688 .95 .0074 |
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O2 .2518 .25 .1715 .0074 |
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O3 .0570 .1370 .5384 .95 .0074 |
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O4 .4909 .1072 -.0242 .0074 |
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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 (permalink)
|
|
|
Lueshite |
 |
Xu H, Su Y, Balmer M L, Navrotsky A |
|
Chemistry of Materials 15 (2003) 1872-1878 |
|
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x |
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system: synthesis, crystal chemistry, and energetics |
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Note: x = 0.2 |
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Locality: synthetic |
|
_database_code_amcsd 0018691 |
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5.5303 15.5677 5.5072 90 90 90 Pbma |
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atom x y z occ Uiso |
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Na1 .75 0 .242 .0140 |
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Na2 .745 .25 .256 .0140 |
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Nb1 .2602 .1257 .2394 .8 .0058 |
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Ti1 .2602 .1257 .2394 .2 .0058 |
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O1 .25 0 .2673 .9333 .0087 |
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O2 .2516 .25 .1724 .0087 |
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O3 .0555 .1366 .5390 .9333 .0087 |
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O4 .4890 .1077 -.0254 .0087 |
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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 (permalink)
|
|
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Lueshite |
 |
Hewat A W |
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Ferroelectrics 7 (1974) 83-85 |
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Neutron powder profile refinement of ferroelectric and |
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antiferroelectric crystal structures: sodium niobate at 22 deg C |
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Locality: synthetic |
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_database_code_amcsd 0018686 |
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5.5679 15.5156 5.5029 90 90 90 Pbma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Nb1 .2705 .1231 .247 .003226 .000727 .003302 0 0 0 |
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Na1 .75 0 .257 .008064 .001662 .008256 0 0 0 |
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Na2 .781 .25 .254 .008064 .001662 .008256 0 0 0 |
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O1 .25 0 .304 .009677 .000935 .009907 0 0 0 |
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O2 .232 .25 .180 .009677 .000935 .009907 0 0 0 |
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O3 .025 .1410 .533 .004838 .001246 .004953 0 0 0 |
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O4 .456 .1090 -.036 .004838 .001246 .004953 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 (permalink)
|
|
|
Lueshite |
 |
Mishchuk D O, V'yunov O I, Ovchar O V, Belous A G |
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Inorganic Materials 40 (2004) 1324-1330 |
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Structural and dielectric properties of solid solutions of |
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sodium niobate in lanthanum and neodymium niobates |
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Locality: synthetic |
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Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C |
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Note: x = .5, La.17Na1.5Nb2O6 |
|
_database_code_amcsd 0018677 |
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5.5189 5.5458 15.6313 90 90 90 Pbcm |
|
atom x y z occ |
|
La1 .268 .25 0 .17 |
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Na1 .268 .25 0 .5 |
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Na2 .25 .225 .25 |
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Nb .249 .745 .1246 |
|
O1 .74 .25 0 |
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O2 .20 .813 .25 |
|
O3 .476 .461 .149 |
|
O4 .015 .009 .118 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
Mishchuk D O, V'yunov O I, Ovchar O V, Belous A G |
|
Inorganic Materials 40 (2004) 1324-1330 |
|
Structural and dielectric properties of solid solutions of |
|
sodium niobate in lanthanum and neodymium niobates |
|
Locality: synthetic |
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Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C |
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Note: x = .58, La.09Na1.74Nb2O6 |
|
_database_code_amcsd 0018678 |
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5.5100 5.5563 15.5670 90 90 90 Pbcm |
|
atom x y z occ |
|
La1 .262 .25 0 .09 |
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Na1 .262 .25 0 .74 |
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Na2 .215 .228 .25 |
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Nb .254 .741 .1248 |
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O1 .71 .25 0 |
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O2 .25 .77 .25 |
|
O3 .468 .438 .158 |
|
O4 .013 .001 .117 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
Mishchuk D O, V'yunov O I, Ovchar O V, Belous A G |
|
Inorganic Materials 40 (2004) 1324-1330 |
|
Structural and dielectric properties of solid solutions of |
|
sodium niobate in lanthanum and neodymium niobates |
|
Locality: synthetic |
|
Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C |
|
Note: x = .66, Na2Nb2O6 |
|
_database_code_amcsd 0018679 |
|
5.5007 5.5621 15.5373 90 90 90 Pbcm |
|
atom x y z |
|
Na1 .229 .25 0 |
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Na2 .229 .217 .25 |
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Nb .2531 .7344 .1251 |
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O1 .678 .25 0 |
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O2 .213 .778 .25 |
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O3 .477 .449 .151 |
|
O4 .035 .022 .113 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
Mishchuk D O, V'yunov O I, Ovchar O V, Belous A G |
|
Inorganic Materials 40 (2004) 1324-1330 |
|
Structural and dielectric properties of solid solutions of |
|
sodium niobate in lanthanum and neodymium niobates |
|
Locality: synthetic |
|
Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C |
|
Note: x = .58, Nd.09Na1.74Nb2O6 |
|
_database_code_amcsd 0018682 |
|
5.5100 5.5563 15.5670 90 90 90 Pbcm |
|
atom x y z occ |
|
Nd1 .251 .25 0 .09 |
|
Na1 .251 .25 0 .74 |
|
Na2 .226 .222 .25 |
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Nb .251 .7381 .1248 |
|
O1 .673 .25 0 |
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O2 .221 .767 .25 |
|
O3 .466 .446 .153 |
|
O4 .029 .020 .117 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
Mishchuk D O, V'yunov O I, Ovchar O V, Belous A G |
|
Inorganic Materials 40 (2004) 1324-1330 |
|
Structural and dielectric properties of solid solutions of |
|
sodium niobate in lanthanum and neodymium niobates |
|
Locality: synthetic |
|
Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C |
|
Note: x = .62, Nd.05Na1.86Nb2O6 |
|
_database_code_amcsd 0018683 |
|
5.5018 5.5598 15.5510 90 90 90 Pbcm |
|
atom x y z occ |
|
Nd1 .239 .25 0 .05 |
|
Na1 .239 .25 0 .86 |
|
Na2 .223 .222 .25 |
|
Nb .2520 .7359 .1243 |
|
O1 .679 .25 0 |
|
O2 .224 .771 .25 |
|
O3 .472 .438 .1557 |
|
O4 .032 .017 .115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
von der Muhll R, Sadel A, Hagenmuller P |
|
Journal of Solid State Chemistry 51 (1984) 176-182 |
|
Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98NbO3 |
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Note: x(O3) corrected to match reported bond lengths |
|
Note: this is a polymorph of lueshite |
|
Locality: synthetic |
|
_database_code_amcsd 0013521 |
|
5.494 15.461 5.551 90 90 90 Pc2_1b |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Li1 .2438 .1204 .7149 .02 .000166 .001339 .001866 .003620 .001885 .002971 |
|
Na1 .2438 .1204 .7149 .98 .008117 .001339 .001866 .003620 .001885 .002971 |
|
Li2 .2415 .3728 .7732 .02 .000166 .000837 .001947 .001648 0 0 |
|
Na2 .2415 .3728 .7732 .98 .008117 .000837 .001947 .001648 0 0 |
|
Nb1 .2565 0 .2232 .001988 .000397 .000325 .000206 -.000738 0 |
|
Nb2 .2540 .2502 .2292 .003976 .000314 .002840 0 .001967 0 |
|
O1 .459 .0054 .5506 .009111 .003660 .000811 .001472 0 .001748 |
|
O2 .0327 -.0132 -.0186 .013252 .003347 .006491 .000441 .009017 0 |
|
O3 -.0371 .2645 .0358 .001657 .000418 .000811 0 0 .000291 |
|
O4 .5364 .2299 .4603 .000828 .000105 .000811 0 -.000164 0 |
|
O5 .3124 -.1273 .2738 .006626 .000418 .000811 0 0 .000291 |
|
O6 .1871 .1229 .2649 .008283 .000209 .004868 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 (permalink)
|
|
|
Lueshite |
 |
Johnston K E, Tang C C, Parker J E, Knight K S, Lightfoot P, Ashbrook S E |
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Journal of the American Chemical Society 132 (2010) 8732-8746 |
|
The polar phase of NaNbO3: a combined study by powder diffraction, |
|
solid-state NMR and first-principles calculations |
|
Note: this is a polymorph of lueshite |
|
Locality: synthetic |
|
_database_code_amcsd 0018685 |
|
5.571 7.766 5.513 90 90 90 P2_1ma |
|
atom x y z Uiso |
|
Nb .2625 .25 .2466 .0020 |
|
Na .2596 0 .7481 .0050 |
|
Na .2915 .5 .7327 .0224 |
|
O1 .2409 0 .3124 .0053 |
|
O2 .2257 .5 .1928 .0037 |
|
O3 .0131 .2790 .5272 .0184 |
|
O4 -.0490 .2197 .0360 .0061 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Lueshite |
 |
Barth T |
|
Norsk Geologisk Tidsskrift 8 (1925) 201-219 |
|
Die Kristallstruktur von Perowskit und verwandter Verbindungen |
|
Note: synthetic |
|
Note: this is a polymorph of lueshite |
|
_cod_database_code 1011064 |
|
_database_code_amcsd 0017963 |
|
3.906 3.906 3.906 90 90 90 Pm3m |
|
atom x y z |
|
Na1 0 0 0 |
|
Nb1 .5 .5 .5 |
|
O1 .5 .5 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 (permalink)
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