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K2TiSi3O9 |
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Xu H, Navrotsky A, Balmer M L, Su Y |
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Physics and Chemistry of Minerals 32 (2005) 426-435 |
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Crystal-chemical and energetic systematics of wadeite-type phases |
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A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) |
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_database_code_amcsd 0008974 |
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6.7766 6.7766 9.9275 90 90 120 P6_3/m |
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atom x y z Uiso |
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KA 1/3 2/3 .0589 .0181 |
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TiB 0 0 0 .0067 |
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Si .3756 .2451 .25 .0044 |
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O1 .4882 .0816 .25 .0080 |
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O2 .2475 .2286 .1113 .0080 |
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Wadeite |
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Xu H, Navrotsky A, Balmer M L, Su Y |
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Physics and Chemistry of Minerals 32 (2005) 426-435 |
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Crystal-chemical and energetic systematics of wadeite-type phases |
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A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) |
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_database_code_amcsd 0008975 |
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6.9360 6.9360 10.1822 90 90 120 P6_3/m |
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atom x y z Uiso |
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KA 1/3 2/3 .0584 .0198 |
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ZrB 0 0 0 .0070 |
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Si .3892 .2584 .25 .0058 |
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O1 .4880 .0900 .25 .0112 |
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O2 .2585 .2429 .1177 .0112 |
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Cs2ZrSi3O9 |
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Xu H, Navrotsky A, Balmer M L, Su Y |
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Physics and Chemistry of Minerals 32 (2005) 426-435 |
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Crystal-chemical and energetic systematics of wadeite-type phases |
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A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) |
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_database_code_amcsd 0008976 |
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7.2319 7.2319 10.2688 90 90 120 P6_3/m |
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atom x y z Uiso |
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CsA 1/3 2/3 .0652 .0188 |
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ZrB 0 0 0 .0092 |
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Si .3868 .2354 .25 .0034 |
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O1 .5147 .0991 .25 .0128 |
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O2 .2596 .1966 .1172 .0128 |
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Lueshite |
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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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Lueshite |
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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 = 0.05 |
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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)
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Lueshite |
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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 = 0.1 |
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Locality: synthetic |
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_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)
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View JMOL 3-D Structure
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Lueshite |
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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 = 0.15 |
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Locality: synthetic |
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_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)
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Lueshite |
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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 = 0.2 |
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Locality: synthetic |
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_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)
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View JMOL 3-D Structure
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