American Mineralogist Crystal Structure Database

8 matching records for this search.

K2TiSi3O9
 
Xu H, Navrotsky A, Balmer M L, Su Y
 
Physics and Chemistry of Minerals 32 (2005) 426-435
Crystal-chemical and energetic systematics of wadeite-type phases
A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)
_database_code_amcsd 0008974
6.7766 6.7766 9.9275 90 90 120 P6_3/m
atom     x     y     z  Uiso
KA     1/3   2/3 .0589 .0181
TiB      0     0     0 .0067
Si   .3756 .2451   .25 .0044
O1   .4882 .0816   .25 .0080
O2   .2475 .2286 .1113 .0080
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View JMOL 3-D Structure (permalink)
 
Wadeite
Download hom/wadeite.pdf
Xu H, Navrotsky A, Balmer M L, Su Y
 
Physics and Chemistry of Minerals 32 (2005) 426-435
Crystal-chemical and energetic systematics of wadeite-type phases
A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)
_database_code_amcsd 0008975
6.9360 6.9360 10.1822 90 90 120 P6_3/m
atom     x     y     z  Uiso
KA     1/3   2/3 .0584 .0198
ZrB      0     0     0 .0070
Si   .3892 .2584   .25 .0058
O1   .4880 .0900   .25 .0112
O2   .2585 .2429 .1177 .0112
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View JMOL 3-D Structure (permalink)
 
Cs2ZrSi3O9
 
Xu H, Navrotsky A, Balmer M L, Su Y
 
Physics and Chemistry of Minerals 32 (2005) 426-435
Crystal-chemical and energetic systematics of wadeite-type phases
A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr)
_database_code_amcsd 0008976
7.2319 7.2319 10.2688 90 90 120 P6_3/m
atom     x     y     z  Uiso
CsA    1/3   2/3 .0652 .0188
ZrB      0     0     0 .0092
Si   .3868 .2354   .25 .0034
O1   .5147 .0991   .25 .0128
O2   .2596 .1966 .1172 .0128
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View JMOL 3-D Structure (permalink)
 
Lueshite
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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
system: synthesis, crystal chemistry, and energetics
Note: x = 0.00
Locality: synthetic
_database_code_amcsd 0018687
5.5625 15.5495 5.5138 90 90 90 Pbma
atom     x     y      z  Uiso
Na1    .75     0   .234 .0149
Na2   .743   .25   .240 .0149
Nb1  .2583 .1260  .2462 .0040
O1     .25     0  .3110 .0069
O2   .2402   .25  .1817 .0069
O3   .0679 .1397  .5443 .0069
O4   .4919 .1102 -.0119 .0069
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View JMOL 3-D Structure (permalink)
 
Lueshite
Download hom/lueshite.pdf
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
system: synthesis, crystal chemistry, and energetics
Note: x = 0.05
Locality: synthetic
_database_code_amcsd 0018688
5.5528 15.5597 5.5140 90 90 90 Pbma
atom     x     y      z   occ  Uiso
Na1    .75     0   .230       .0165
Na2   .742   .25   .248       .0165
Nb1  .2598 .1267  .2415   .95 .0045
Ti1  .2598 .1267  .2415   .05 .0045
O1     .25     0  .2944 .9833 .0069
O2   .2485   .25  .1796       .0069
O3   .0699 .1387  .5433 .9833 .0069
O4   .4948 .1090 -.0176       .0069
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
Download hom/lueshite.pdf
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
system: synthesis, crystal chemistry, and energetics
Note: x = 0.1
Locality: synthetic
_database_code_amcsd 0018689
5.5428 15.5632 5.5094 90 90 90 Pbma
atom     x     y      z   occ  Uiso
Na1    .75     0   .244       .0074
Na2   .746   .25   .256       .0074
Nb1  .2612 .1253  .2390    .9 .0047
Ti1  .2612 .1253  .2390    .1 .0047
O1     .25     0  .2752 .9667 .0066
O2   .2533   .25  .1735       .0066
O3   .0612 .1373  .5401 .9667 .0066
O4   .4945 .1065 -.0234       .0066
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
Download hom/lueshite.pdf
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
system: synthesis, crystal chemistry, and energetics
Note: x = 0.15
Locality: synthetic
_database_code_amcsd 0018690
5.5396 15.5705 5.5087 90 90 90 Pbma
atom     x     y      z occ  Uiso
Na1    .75     0   .238     .0090
Na2   .744   .25   .254     .0090
Nb1  .2602 .1252  .2377 .85 .0030
Ti1  .2602 .1252  .2377 .15 .0030
O1     .25     0  .2688 .95 .0074
O2   .2518   .25  .1715     .0074
O3   .0570 .1370  .5384 .95 .0074
O4   .4909 .1072 -.0242     .0074
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
Download hom/lueshite.pdf
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
system: synthesis, crystal chemistry, and energetics
Note: x = 0.2
Locality: synthetic
_database_code_amcsd 0018691
5.5303 15.5677 5.5072 90 90 90 Pbma
atom     x     y      z   occ  Uiso
Na1    .75     0   .242       .0140
Na2   .745   .25   .256       .0140
Nb1  .2602 .1257  .2394    .8 .0058
Ti1  .2602 .1257  .2394    .2 .0058
O1     .25     0  .2673 .9333 .0087
O2   .2516   .25  .1724       .0087
O3   .0555 .1366  .5390 .9333 .0087
O4   .4890 .1077 -.0254       .0087
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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Total number of retrieved datasets: 8
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