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ICSD for WWW : Details

ICSD for WWW

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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=41237 Help
TitleA test for the importance of weak reflections in resolving a space- group ambiguity involving the presence or absence of an inversion centre.
AuthorsKassner, D.;Baur, W.H.;Joswig, W.;Eichhorn, K.D.;Wendschuh-Josties, M.;Kupcik, V.
ReferenceActa Crystallographica B (1993) 49, 646-654
Link XRef SCOPUS SCIRUS Google
CompoundH1.98 Al4 Ca0.722 Li0.452 Na0.2 O12 Si2 - [Margarite 2M1] Calcium aluminum phyllo-dialumodisilicate hydroxide * [AB2C4D8X24] [mS85] [a20] []
Cell5.1138(2), 8.8569(4), 19.1851(10), 90., 95.484(4), 90.
C1C1 (9) V=864.96
RemarksR=0.027000 : MIN =Margarite 2M1 : PDF =18-276 : SNS DEF
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
"R(C2/c)=0.059 for merged Friedel-pairs, mean Al-O=1.7501, Si-O= 1.6293; PDF 18-276"

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4a)2
Na1(4a)1
Al1(4a)3
Al2(4a)3
Al3(4a)3
Al4(4a)3
Si1(4a)4
Si2(4a)4
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
H1(4a)1
H2(4a)1
H3(4a)1
H4(4a)1
Li1(4a)1
0.50.59368(2)0.250.009940.722(2)
0.50.59368(2)0.250.009940.2
0.24793(12)0.41685(3)-.00005(3)0.004721
0.75176(12)0.58487(3)0.00007(3)0.004811
0.96396(10)0.42742(4)0.14210(2)0.004461
0.0473(1)0.24379(4)-.14210(3)0.004681
0.0352(1)0.57426(3)-.14475(2)0.004221
0.45452(9)0.25689(3)0.14471(2)0.00411
0.96100(17)0.44541(9)0.05243(4)0.00611
0.04423(18)0.56128(9)-.05974(4)0.006311
0.39490(17)0.25395(7)0.05975(5)0.006131
0.11932(17)0.24913(8)-.05220(4)0.005671
0.86384(19)0.59802(7)0.17752(5)0.006931
0.13699(21)0.58209(8)0.32283(5)0.007241
0.26702(16)0.77908(8)0.16783(4)0.00711
0.71246(16)0.78451(8)0.33196(5)0.007431
0.28810(17)0.39066(9)0.17846(5)0.007271
0.73464(18)0.39630(9)0.32126(5)0.006941
0.45296(19)0.56631(10)0.05133(5)0.007421
0.54755(18)0.43577(9)-.05129(5)0.007911
0.36630.6550.0620.020.77
0.63250.3452-.06040.020.79
0.4390.5910.0980.020.21
0.5610.6010.4050.020.21
0.2514(20)0.7545(8)-.0011(6)0.020.452(12)

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