MX
 5-Ketten aus eckenverknüpften oktaedern. Mögliche Kettenkonfigurationen und mögliche Kristallstrukturen beidichtester Packung der X-Atome

Müller, Ulrich

doi:10.1107/s0108768186097707

Cited by 7 publications

(2 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To the best of our knowledge, the samarium packing has been observed previously only for α‐MoCl 5 and WCl 5 . For an in‐depth discussion of the packings of pentahalides see the literature …”

Section: Resultsmentioning

confidence: 97%

See 1 more Smart Citation

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

Deubner

Rudel

Sachs

et al. 2019

Chemistry A European J

View full text Add to dashboard Cite

The redetermination of the crystal structure of trigonal UCl6, which is the eponym for the UCl6 structure type, showed that certain atomic coordinates had been incorrectly reported. This led to noticeably different U−Cl distances within the octahedral UCl6 molecule (2.41 and 2.51 Å). Within the revised structure model presented here, which is based on single crystal data as well as quantum chemical calculations, all U−Cl distances are essentially equal within standard uncertainty (2.431(5), 2.437(5), and 2.439(6) Å). This room temperature modification, called rt‐UCl6, crystallizes in the trigonal space group Ptrue3‾ m1, No. 164, hP21, with a=10.907(2), c=5.9883(12) Å, V=616.9(2) Å3, Z=3 at T=253 K. A new low‐temperature (lt) modification of UCl6 is also presented that was obtained by cooling a single crystal of rt‐UCl6. The phase change occurs between 150 and 175 K. lt‐UCl6 crystallizes isotypic to a low‐temperature modification of SF6 in the monoclinic crystal system, space group C2/m, No. 12, mS42, with a=17.847(4), b=10.8347(18), c=6.2670(17) Å, β=96.68(2)°, V=1203.6(5) Å3, Z=6 at 100 K. The Cl anions form a close‐packed structure corresponding to the α‐Sm type with uranium atoms in the octahedral voids. During the synthesis of UBr5 a new modification was obtained that crystallizes in the triclinic crystal system, space group Ptrue1‾ , No. 2, aP36, with a=10.4021(6), b=11.1620(6), c=12.2942(7) Å, α=68.3340(10)°, β=69.6410(10)° and γ=89.5290(10)°, V=1231.84(12) Å3, Z=3 at T=100 K. In this structure the UBr5 units are dimerized to U2Br10 molecules. The Br anions also form a close‐packed structure of the α‐Sm type with adjacent uranium atoms in the octahedral voids. Comparisons of the crystal structures of the compounds MX5 (M=Pa, U; X=Cl, Br) show that the crystal structure of monoclinic α‐PaBr5 is probably not correct.

show abstract

Section: Resultsmentioning

confidence: 97%

“…[43,45] For an in-depth discussion of the packings of pentahalides see the literature. [46] Magnetism of g-UBr 5…”

Section: Lt-uclmentioning

confidence: 99%

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

Deubner

Rudel

Sachs

et al. 2019

Chemistry A European J

View full text Add to dashboard Cite

show abstract

Structure Prediction in Solid-State Chemistry as an Approach to Rational Synthesis Planning

Jansen

Schön

2013

Comprehensive Inorganic Chemistry II

View full text Add to dashboard Cite

Energy landscapes in inorganic chemistry

Schön

2023

Comprehensive Inorganic Chemistry III

View full text Add to dashboard Cite

MX ₅-Ketten aus eckenverknüpften oktaedern. Mögliche Kettenkonfigurationen und mögliche Kristallstrukturen beidichtester Packung der X-Atome

Cited by 7 publications

References 14 publications

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

Structure Prediction in Solid-State Chemistry as an Approach to Rational Synthesis Planning

Energy landscapes in inorganic chemistry

Contact Info

Product

Resources

About

MX 5-Ketten aus eckenverknüpften oktaedern. Mögliche Kettenkonfigurationen und mögliche Kristallstrukturen beidichtester Packung der X-Atome

Cited by 7 publications

References 14 publications

A Revised Structure Model for the UCl6 Structure Type, Novel Modifications of UCl6 and UBr5, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl6 Structure Type, Novel Modifications of UCl6 and UBr5, and a Comment on the Modifications of Protactinium Pentabromides

Structure Prediction in Solid-State Chemistry as an Approach to Rational Synthesis Planning

Energy landscapes in inorganic chemistry

Contact Info

Product

Resources

About

MX ₅-Ketten aus eckenverknüpften oktaedern. Mögliche Kettenkonfigurationen und mögliche Kristallstrukturen beidichtester Packung der X-Atome

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides