Investigation of the crystal structure of a basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1))

Axel Norlund Christensen, Bente Lebech

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Abstract

A basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.5)[Bi6O5(OH)(3)](0.5)(NO3)(5.5) formed in a slow crystal growth mode has an ordered crystal structure with the monoclinic space group P2(1) and lattice parameters a = 15.850(3), b = 14.986(3), c = 18.230(4) angstrom, beta = 107.329(17)degrees and volume V = 4133.6 angstrom(3) (Henry et al. 2003). In a very fast crystal growth mode the complex ions disorder in another P2(1) cell with slightly different lattice parameters a = 15.8404(1), b = 15.1982(1), c = 18.3122(1) angstrom, beta = 106.829(1)degrees and V = 4219.8 angstrom(3). This cell can be related to two smaller cells: a monoclinic C2/m cell with a = 13.7161(1), b = 15.1943(1), c = 10.2399(1) angstrom, beta = 98.586(1)degrees and V = 2110.1 angstrom(3) and a trigonal R (3) over bar cell with a = 15.18650(6), c = 15.8416(1) angstrom (hexagonal setting) and V = 3164.1 angstrom(3). These smaller cells correspond to average structures and hence the X-ray data do not account for the difference in the structures of the two different complex ions. However, when analysing neutron powder diffraction data, it is possible to distinguish between the two complex ions using a trigonal R (3) over bar cell with a = 15.1865(1) and c = 15.8416(1) angstrom (hexagonal setting). In a Rietveld type structure model refinement with a total of 28 atom sites (4 Bi, 3 N, 15 O and 6 H), the composition of this sample is determined to be [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1)).
Original languageEnglish
JournalDalton Transactions (Print Edition)
Volume41
Issue number7
Pages (from-to)1971-1980
ISSN1477-9226
DOIs
Publication statusPublished - 2012

Keywords

  • Chemistry
  • Powder diffraction

Cite this

@article{6f54e2e11c07490a87c91061b8404310,
title = "Investigation of the crystal structure of a basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1))",
abstract = "A basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.5)[Bi6O5(OH)(3)](0.5)(NO3)(5.5) formed in a slow crystal growth mode has an ordered crystal structure with the monoclinic space group P2(1) and lattice parameters a = 15.850(3), b = 14.986(3), c = 18.230(4) angstrom, beta = 107.329(17)degrees and volume V = 4133.6 angstrom(3) (Henry et al. 2003). In a very fast crystal growth mode the complex ions disorder in another P2(1) cell with slightly different lattice parameters a = 15.8404(1), b = 15.1982(1), c = 18.3122(1) angstrom, beta = 106.829(1)degrees and V = 4219.8 angstrom(3). This cell can be related to two smaller cells: a monoclinic C2/m cell with a = 13.7161(1), b = 15.1943(1), c = 10.2399(1) angstrom, beta = 98.586(1)degrees and V = 2110.1 angstrom(3) and a trigonal R (3) over bar cell with a = 15.18650(6), c = 15.8416(1) angstrom (hexagonal setting) and V = 3164.1 angstrom(3). These smaller cells correspond to average structures and hence the X-ray data do not account for the difference in the structures of the two different complex ions. However, when analysing neutron powder diffraction data, it is possible to distinguish between the two complex ions using a trigonal R (3) over bar cell with a = 15.1865(1) and c = 15.8416(1) angstrom (hexagonal setting). In a Rietveld type structure model refinement with a total of 28 atom sites (4 Bi, 3 N, 15 O and 6 H), the composition of this sample is determined to be [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1)).",
keywords = "Chemistry, Powder diffraction",
author = "Christensen, {Axel Norlund} and Bente Lebech",
year = "2012",
doi = "10.1039/c1dt11646k",
language = "English",
volume = "41",
pages = "1971--1980",
journal = "Dalton Transactions (Print Edition)",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "7",

}

Investigation of the crystal structure of a basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1)). / Christensen, Axel Norlund; Lebech, Bente.

In: Dalton Transactions (Print Edition), Vol. 41, No. 7, 2012, p. 1971-1980.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Investigation of the crystal structure of a basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1))

AU - Christensen, Axel Norlund

AU - Lebech, Bente

PY - 2012

Y1 - 2012

N2 - A basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.5)[Bi6O5(OH)(3)](0.5)(NO3)(5.5) formed in a slow crystal growth mode has an ordered crystal structure with the monoclinic space group P2(1) and lattice parameters a = 15.850(3), b = 14.986(3), c = 18.230(4) angstrom, beta = 107.329(17)degrees and volume V = 4133.6 angstrom(3) (Henry et al. 2003). In a very fast crystal growth mode the complex ions disorder in another P2(1) cell with slightly different lattice parameters a = 15.8404(1), b = 15.1982(1), c = 18.3122(1) angstrom, beta = 106.829(1)degrees and V = 4219.8 angstrom(3). This cell can be related to two smaller cells: a monoclinic C2/m cell with a = 13.7161(1), b = 15.1943(1), c = 10.2399(1) angstrom, beta = 98.586(1)degrees and V = 2110.1 angstrom(3) and a trigonal R (3) over bar cell with a = 15.18650(6), c = 15.8416(1) angstrom (hexagonal setting) and V = 3164.1 angstrom(3). These smaller cells correspond to average structures and hence the X-ray data do not account for the difference in the structures of the two different complex ions. However, when analysing neutron powder diffraction data, it is possible to distinguish between the two complex ions using a trigonal R (3) over bar cell with a = 15.1865(1) and c = 15.8416(1) angstrom (hexagonal setting). In a Rietveld type structure model refinement with a total of 28 atom sites (4 Bi, 3 N, 15 O and 6 H), the composition of this sample is determined to be [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1)).

AB - A basic bismuth(III) nitrate with the composition [Bi6O4(OH)(4)](0.5)[Bi6O5(OH)(3)](0.5)(NO3)(5.5) formed in a slow crystal growth mode has an ordered crystal structure with the monoclinic space group P2(1) and lattice parameters a = 15.850(3), b = 14.986(3), c = 18.230(4) angstrom, beta = 107.329(17)degrees and volume V = 4133.6 angstrom(3) (Henry et al. 2003). In a very fast crystal growth mode the complex ions disorder in another P2(1) cell with slightly different lattice parameters a = 15.8404(1), b = 15.1982(1), c = 18.3122(1) angstrom, beta = 106.829(1)degrees and V = 4219.8 angstrom(3). This cell can be related to two smaller cells: a monoclinic C2/m cell with a = 13.7161(1), b = 15.1943(1), c = 10.2399(1) angstrom, beta = 98.586(1)degrees and V = 2110.1 angstrom(3) and a trigonal R (3) over bar cell with a = 15.18650(6), c = 15.8416(1) angstrom (hexagonal setting) and V = 3164.1 angstrom(3). These smaller cells correspond to average structures and hence the X-ray data do not account for the difference in the structures of the two different complex ions. However, when analysing neutron powder diffraction data, it is possible to distinguish between the two complex ions using a trigonal R (3) over bar cell with a = 15.1865(1) and c = 15.8416(1) angstrom (hexagonal setting). In a Rietveld type structure model refinement with a total of 28 atom sites (4 Bi, 3 N, 15 O and 6 H), the composition of this sample is determined to be [Bi6O4(OH)(4)](0.54(1))[Bi6O5(OH)(3)](0.46(1))(NO3)(5.54(1)).

KW - Chemistry

KW - Powder diffraction

U2 - 10.1039/c1dt11646k

DO - 10.1039/c1dt11646k

M3 - Journal article

VL - 41

SP - 1971

EP - 1980

JO - Dalton Transactions (Print Edition)

JF - Dalton Transactions (Print Edition)

SN - 1477-9226

IS - 7

ER -