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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleStructural modulation of molybdenyl iodate architectures by alkali metal cations in A Mo O3 (I O3) (A = K, Rb, Cs): a facile route to new polar materials with large SHG responses.
AuthorsSykora, R.E.;Ok, K.M.;Halasyamani, P.S.;Albrecht-Schmitt, T.E.
ReferenceIC&volume=124&fpage=195&details=yes target=icsd_help>Journal of the American Chemical Society (2002) 124, 195-195
Link XRef SCOPUS Google
CompoundCs1 I1 Mo1 O6 - Caesium iodato(V)trioxomolybdate [ABCX6] [oP36] [a9] []
Cell7.8633(5), 10.3920(6), 7.3869(5), 90., 90., 90.
PNA21 (33) V=603.62
RemarksR=0.020900 : T =193 :

Atom (site) Oxid. x, y, z, B, Occupancy
Cs1(4a)1
Mo1(4a)6
I1(4a)5
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
0.98-.610.3601
0.990.020.5901
0.77-.230.4201
1.13-.850.5301
0.800.110.6201
0.93-.010.3301
0.57-.150.4101
0.85-.150.6201
0.71-.380.5401
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(4a)1
Mo1(4a)6
I1(4a)5
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
0.020.010.010.00-.00-.00
0.010.010.000.00-.00-.00
0.010.010.00-.00-.000.00
0.020.010.01-.00-.000.00
0.020.020.010.00-.00-.00
0.010.020.00-.00-.000.00
0.010.020.020.00-.000.00
0.010.010.00-.00-.00-.00
0.010.010.00-.000.000.00

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