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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=95311 Help
TitleIndium perovskite-like phases: synthesis, crystal structure, refinement and properties.
AuthorsAfanas'eva, I.N.;Kuzmicheva, G.M.;Mitin, A.V.;Khlybov, E.P.
ReferenceZhurnal Strukturnoi Khimii (2001) 42, 1157-1173
Link XRef SCOPUS SCIRUS Google
Also: Journal of Structural Chemistry (2001) 42, 967-981
Link XRef SCOPUS SCIRUS Google
CompoundCe0.11 Cu2.02 Ho2.64 In0.98 O9 Sr1.25 - Indium copper strontium holmium cerium oxide (0.98/2.02/1.25/2.64/0.11/9) [AB2C2D2X9] [tI32] [j i g e4 d] []
Cell3.8272(2), 3.8272(2), 29.0774(9), 90, 90, 90
I4/MMM (139) V=425.91
RemarksR=0.017600 : DEF RVP XDP
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.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
In1(8i)3
Cu1(8i)2.07
Sr1(4e)2
Ho1(4e)3
Ho2(4e)3
Ce1(4e)4
Cu2(4e)2.07
O1(8j)-2
O2(4e)-2
O3(8g)-2
O4(4d)-2
0.062(3)0.0.0.028(3)0.245(3)
0.062(3)0.0.0.028(3)0.005(3)
0.0.0.4131(1)0.018(2)0.625(10)
0.0.0.4131(1)0.018(2)0.375(10)
0.0.0.2935(1)0.002(1)0.945(3)
0.0.0.2935(1)0.002(1)0.055(3)
0.0.0.1415(2)0.5(1)1
0.44(2)0.50.1.0.25
0.0.0.0615(7)0.005(4)1
0.0.50.3461(4)0.014(7)1
0.0.50.2501.1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
In1(8i)3
Cu1(8i)2.07
Sr1(4e)2
Ho1(4e)3
Ho2(4e)3
Ce1(4e)4
Cu2(4e)2.07
O1(8j)-2
O2(4e)-2
O3(8g)-2
O4(4d)-2
0.042(5)0.042(5)0.00035(8)0.0.0.
0.042(5)0.042(5)0.00035(8)0.0.0.
0.027(3)0.027(3)0.00006(6)0.0.0.
0.027(3)0.027(3)0.00006(6)0.0.0.
0.004(2)0.004(2)0.00015(4)0.0.0.
0.004(2)0.004(2)0.00015(4)0.0.0.
000000
000000
0.007(6)0.007(6)0.0021(5)0.0.0.
0.02(1)0.02(1)0.0014(3)0.0.0.
000000

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