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ICSD for WWW : Details

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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=14183 Help
TitleNeue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern: Tb6 Br7 und Er6 I7.
AuthorsBerroth, K.; Mattausch, H.-J.; Simon, A.
ReferenceZeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (1980) 35, 626-630
Link XRef SCOPUS SCIRUS Google
CompoundEr6 I7 - Erbium iodide (6/7) [A6X7] [mS26] [i6 d] []
Cell21.375(4), 3.869(1), 12.319(1), 90., 123.50(2), 90.
C12/M1 (12) V=849.55
RemarksR=0.071000 : PDF =36-908 :
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.
PDF 36-908
Cell in I12/c1-setting: a'=17.831, beta'=91.67

Atom (site) Oxid. x, y, z, B, Occupancy
Er1(4i)1.167
Er2(4i)1.167
Er3(4i)1.167
I1(4i)-1
I2(4i)-1
I3(4i)-1
I4(2d)-1
0.7661(4)00.8213(6)01
0.3110(5)00.6321(8)01
0.1379(4)00.5582(6)01
0.3925(6)00.9393(9)01
0.1609(4)00.8323(8)01
0.0541(5)00.2716(9)01
0.500.501
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Er1(4i)1.167
Er2(4i)1.167
Er3(4i)1.167
I1(4i)-1
I2(4i)-1
I3(4i)-1
I4(2d)-1
1.36(30)1.41(32)2.55(32)01.41(27)0
1.93(40)0.94(30)2.72(35)01.80(31)0
1.19(32)0.92(34)3.78(34)01.93(29)0
3.02(65)1.74(60)3.15(52)02.52(50)0
0.89(40)1.65(41)2.16(39)00.91(32)0
1.68(60)1.4(6)3.18(48)01.99(48)0
1.99(79)1.69(73)3.69(74)01.98(66)0

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