The Β-polymorph of uranium phosphide selenide

George N. Oh; James A. Ibers

doi:10.1107/S1600536811049592

The Β-polymorph of uranium phosphide selenide

George N. Oh, James A. Ibers^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Β-UPSe was synthesized from the reaction of U₂Se ₃, P and Se in a CsCl flux in a fused-silica tube. It crystallizes with four formula units in the tetra-gonal space group I4/mmm in the UGeTe structure type. The asymmetric unit comprises one U (site symmetry 4mm), one Se (4mm), and one P (mmm.) atom. The U atom is coordinated in a monocapped square-anti-prismatic arrangement, where the square face is formed by P atoms and the other five vertices are Se atoms. The P site is disordered about a mirror plane, showing half-ocupancy for each of the two resulting P atoms. The title structure is related to that of α-UPSe, which crystallizes with two formula units in the tetra-gonal space group P4/nmm in the PbFCl structure type.

Original language	English (US)
Pages (from-to)	i75
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	12
DOIs	https://doi.org/10.1107/S1600536811049592
State	Published - Dec 2011

Keywords

R factor = 0.024
T = 298 K
data-to-parameter ratio = 10.7
disorder in main residue
mean σ(U-Se) = 0.001Å
single-crystal X-ray study
wR factor = 0.052

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics
General Materials Science

Access to Document

10.1107/S1600536811049592

Cite this

@article{c564abd1a3594bb382b9cdcbce85db30,

title = "The Β-polymorph of uranium phosphide selenide",

abstract = "Β-UPSe was synthesized from the reaction of U2Se 3, P and Se in a CsCl flux in a fused-silica tube. It crystallizes with four formula units in the tetra-gonal space group I4/mmm in the UGeTe structure type. The asymmetric unit comprises one U (site symmetry 4mm), one Se (4mm), and one P (mmm.) atom. The U atom is coordinated in a monocapped square-anti-prismatic arrangement, where the square face is formed by P atoms and the other five vertices are Se atoms. The P site is disordered about a mirror plane, showing half-ocupancy for each of the two resulting P atoms. The title structure is related to that of α-UPSe, which crystallizes with two formula units in the tetra-gonal space group P4/nmm in the PbFCl structure type.",

keywords = "R factor = 0.024, T = 298 K, data-to-parameter ratio = 10.7, disorder in main residue, mean σ(U-Se) = 0.001{\AA}, single-crystal X-ray study, wR factor = 0.052",

author = "Oh, {George N.} and Ibers, {James A.}",

year = "2011",

month = dec,

doi = "10.1107/S1600536811049592",

language = "English (US)",

volume = "67",

pages = "i75",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "12",

}

TY - JOUR

T1 - The Β-polymorph of uranium phosphide selenide

AU - Oh, George N.

AU - Ibers, James A.

PY - 2011/12

Y1 - 2011/12

N2 - Β-UPSe was synthesized from the reaction of U2Se 3, P and Se in a CsCl flux in a fused-silica tube. It crystallizes with four formula units in the tetra-gonal space group I4/mmm in the UGeTe structure type. The asymmetric unit comprises one U (site symmetry 4mm), one Se (4mm), and one P (mmm.) atom. The U atom is coordinated in a monocapped square-anti-prismatic arrangement, where the square face is formed by P atoms and the other five vertices are Se atoms. The P site is disordered about a mirror plane, showing half-ocupancy for each of the two resulting P atoms. The title structure is related to that of α-UPSe, which crystallizes with two formula units in the tetra-gonal space group P4/nmm in the PbFCl structure type.

AB - Β-UPSe was synthesized from the reaction of U2Se 3, P and Se in a CsCl flux in a fused-silica tube. It crystallizes with four formula units in the tetra-gonal space group I4/mmm in the UGeTe structure type. The asymmetric unit comprises one U (site symmetry 4mm), one Se (4mm), and one P (mmm.) atom. The U atom is coordinated in a monocapped square-anti-prismatic arrangement, where the square face is formed by P atoms and the other five vertices are Se atoms. The P site is disordered about a mirror plane, showing half-ocupancy for each of the two resulting P atoms. The title structure is related to that of α-UPSe, which crystallizes with two formula units in the tetra-gonal space group P4/nmm in the PbFCl structure type.

KW - R factor = 0.024

KW - T = 298 K

KW - data-to-parameter ratio = 10.7

KW - disorder in main residue

KW - mean σ(U-Se) = 0.001Å

KW - single-crystal X-ray study

KW - wR factor = 0.052

UR - http://www.scopus.com/inward/record.url?scp=83155191208&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=83155191208&partnerID=8YFLogxK

U2 - 10.1107/S1600536811049592

DO - 10.1107/S1600536811049592

M3 - Article

C2 - 22199473

AN - SCOPUS:83155191208

SN - 1600-5368

VL - 67

SP - i75

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -

The Β-polymorph of uranium phosphide selenide

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this