Mertieite-II, Pd8Sb2.5As0.5, crystal-structure refinement and formula revision

O. V. Karimova, A. A. Zolotarev, T. L. Evstigneeva, B. S. Johanson

Research output

2 Citations (Scopus)

Abstract

The crystal structure of the mineral mertieite-II from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was refined to R1 = 0.0222 (I) and 0.0228 (II) on the basis of X-ray diffraction data collected from two single crystals. The mineral is trigonal, space group is . The unit-cell parameters for the two crystals are determined as: a = 7.5172(3), c = 43.037(2) Å, V = 2106.1(2) Å3 (I); a = 7.5135(4), c = 43.003(3) Å, V = 2102.4(3) Å3 (II) with Z = 12. The occupancies of the Sb and As position in the structure were refined according to the Sb:As ratio of each crystal. The position As1 (Wyckoff 6b) is completely filled by As atoms. Any excess of As is distributed together with Sb on structural position M1 (Wyckoff 12c). The crystal chemical formulae are defined as Pd8Sb1.5(Sb0.94As0.06)As0.5 (crystal I) and Pd8Sb1.5(Sb0.88As0.12)As0.5 (crystal II). As → Sb substitution of up to 4.50 wt% of As does not affect the main structural topology of mertieite-II. Mertieite-II, Pd8Sb2.5As0.5 and synthetic Pd8Sb3 are isotypic compounds. The crystal structures of synthetic Pd8Sb3 and natural mertieite-II, Pd8Sb2.5As0.5, can be derived from the hexagonal close packing by filling additional layers between the close-packed 36 layers. The structure consists of Sb and (Sb,As) triangular 36, Pd triangular 36 and Pd pentagonal-triangular 5.33 layers. Stacking of Sb-, (Sb,As)- and Pd-nets along the z axis caused extension of the unit cell. It contains a total of 36 layers: six Sb1-nets, six (M1,As1)-nets, 12 Pd1-nets and 12 (Pd1,Pd3,Pd4)-nets.

Original languageEnglish
Pages (from-to)S247-S257
Number of pages11
JournalMineralogical Magazine
Volume82
Issue numberS1
DOIs
Publication statusPublished - 1 May 2018

Fingerprint

crystal structure
Crystal structure
crystal
Crystals
Minerals
mineral
stacking
Substitution reactions
topology
Rivers
Topology
Single crystals
substitution
X ray diffraction
Atoms
X-ray diffraction
river

Cite this

Karimova, O. V. ; Zolotarev, A. A. ; Evstigneeva, T. L. ; Johanson, B. S. / Mertieite-II, Pd8Sb2.5As0.5, crystal-structure refinement and formula revision. In: Mineralogical Magazine. 2018 ; Vol. 82, No. S1. pp. S247-S257.
@article{4ddc0edf04d045878b31b8cd762a5d0a,
title = "Mertieite-II, Pd8Sb2.5As0.5, crystal-structure refinement and formula revision",
abstract = "The crystal structure of the mineral mertieite-II from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was refined to R1 = 0.0222 (I) and 0.0228 (II) on the basis of X-ray diffraction data collected from two single crystals. The mineral is trigonal, space group is . The unit-cell parameters for the two crystals are determined as: a = 7.5172(3), c = 43.037(2) {\AA}, V = 2106.1(2) {\AA}3 (I); a = 7.5135(4), c = 43.003(3) {\AA}, V = 2102.4(3) {\AA}3 (II) with Z = 12. The occupancies of the Sb and As position in the structure were refined according to the Sb:As ratio of each crystal. The position As1 (Wyckoff 6b) is completely filled by As atoms. Any excess of As is distributed together with Sb on structural position M1 (Wyckoff 12c). The crystal chemical formulae are defined as Pd8Sb1.5(Sb0.94As0.06)As0.5 (crystal I) and Pd8Sb1.5(Sb0.88As0.12)As0.5 (crystal II). As → Sb substitution of up to 4.50 wt{\%} of As does not affect the main structural topology of mertieite-II. Mertieite-II, Pd8Sb2.5As0.5 and synthetic Pd8Sb3 are isotypic compounds. The crystal structures of synthetic Pd8Sb3 and natural mertieite-II, Pd8Sb2.5As0.5, can be derived from the hexagonal close packing by filling additional layers between the close-packed 36 layers. The structure consists of Sb and (Sb,As) triangular 36, Pd triangular 36 and Pd pentagonal-triangular 5.33 layers. Stacking of Sb-, (Sb,As)- and Pd-nets along the z axis caused extension of the unit cell. It contains a total of 36 layers: six Sb1-nets, six (M1,As1)-nets, 12 Pd1-nets and 12 (Pd1,Pd3,Pd4)-nets.",
keywords = "4-layers package, FINLAND, FINNISH LAPLAND, MIESSIJOKI, ONTARIO, crystal structure, mertieite-II, single-crystal X-ray diffraction, stacking layers",
author = "Karimova, {O. V.} and Zolotarev, {A. A.} and Evstigneeva, {T. L.} and Johanson, {B. S.}",
year = "2018",
month = "5",
day = "1",
doi = "10.1180/minmag.2017.081.052",
language = "English",
volume = "82",
pages = "S247--S257",
journal = "Mineralogical Magazine",
issn = "0026-461X",
publisher = "Mineralogical Society",
number = "S1",

}

Mertieite-II, Pd8Sb2.5As0.5, crystal-structure refinement and formula revision. / Karimova, O. V.; Zolotarev, A. A.; Evstigneeva, T. L.; Johanson, B. S.

In: Mineralogical Magazine, Vol. 82, No. S1, 01.05.2018, p. S247-S257.

Research output

TY - JOUR

T1 - Mertieite-II, Pd8Sb2.5As0.5, crystal-structure refinement and formula revision

AU - Karimova, O. V.

AU - Zolotarev, A. A.

AU - Evstigneeva, T. L.

AU - Johanson, B. S.

PY - 2018/5/1

Y1 - 2018/5/1

N2 - The crystal structure of the mineral mertieite-II from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was refined to R1 = 0.0222 (I) and 0.0228 (II) on the basis of X-ray diffraction data collected from two single crystals. The mineral is trigonal, space group is . The unit-cell parameters for the two crystals are determined as: a = 7.5172(3), c = 43.037(2) Å, V = 2106.1(2) Å3 (I); a = 7.5135(4), c = 43.003(3) Å, V = 2102.4(3) Å3 (II) with Z = 12. The occupancies of the Sb and As position in the structure were refined according to the Sb:As ratio of each crystal. The position As1 (Wyckoff 6b) is completely filled by As atoms. Any excess of As is distributed together with Sb on structural position M1 (Wyckoff 12c). The crystal chemical formulae are defined as Pd8Sb1.5(Sb0.94As0.06)As0.5 (crystal I) and Pd8Sb1.5(Sb0.88As0.12)As0.5 (crystal II). As → Sb substitution of up to 4.50 wt% of As does not affect the main structural topology of mertieite-II. Mertieite-II, Pd8Sb2.5As0.5 and synthetic Pd8Sb3 are isotypic compounds. The crystal structures of synthetic Pd8Sb3 and natural mertieite-II, Pd8Sb2.5As0.5, can be derived from the hexagonal close packing by filling additional layers between the close-packed 36 layers. The structure consists of Sb and (Sb,As) triangular 36, Pd triangular 36 and Pd pentagonal-triangular 5.33 layers. Stacking of Sb-, (Sb,As)- and Pd-nets along the z axis caused extension of the unit cell. It contains a total of 36 layers: six Sb1-nets, six (M1,As1)-nets, 12 Pd1-nets and 12 (Pd1,Pd3,Pd4)-nets.

AB - The crystal structure of the mineral mertieite-II from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was refined to R1 = 0.0222 (I) and 0.0228 (II) on the basis of X-ray diffraction data collected from two single crystals. The mineral is trigonal, space group is . The unit-cell parameters for the two crystals are determined as: a = 7.5172(3), c = 43.037(2) Å, V = 2106.1(2) Å3 (I); a = 7.5135(4), c = 43.003(3) Å, V = 2102.4(3) Å3 (II) with Z = 12. The occupancies of the Sb and As position in the structure were refined according to the Sb:As ratio of each crystal. The position As1 (Wyckoff 6b) is completely filled by As atoms. Any excess of As is distributed together with Sb on structural position M1 (Wyckoff 12c). The crystal chemical formulae are defined as Pd8Sb1.5(Sb0.94As0.06)As0.5 (crystal I) and Pd8Sb1.5(Sb0.88As0.12)As0.5 (crystal II). As → Sb substitution of up to 4.50 wt% of As does not affect the main structural topology of mertieite-II. Mertieite-II, Pd8Sb2.5As0.5 and synthetic Pd8Sb3 are isotypic compounds. The crystal structures of synthetic Pd8Sb3 and natural mertieite-II, Pd8Sb2.5As0.5, can be derived from the hexagonal close packing by filling additional layers between the close-packed 36 layers. The structure consists of Sb and (Sb,As) triangular 36, Pd triangular 36 and Pd pentagonal-triangular 5.33 layers. Stacking of Sb-, (Sb,As)- and Pd-nets along the z axis caused extension of the unit cell. It contains a total of 36 layers: six Sb1-nets, six (M1,As1)-nets, 12 Pd1-nets and 12 (Pd1,Pd3,Pd4)-nets.

KW - 4-layers package

KW - FINLAND

KW - FINNISH LAPLAND

KW - MIESSIJOKI

KW - ONTARIO

KW - crystal structure

KW - mertieite-II

KW - single-crystal X-ray diffraction

KW - stacking layers

UR - http://www.scopus.com/inward/record.url?scp=85047904151&partnerID=8YFLogxK

U2 - 10.1180/minmag.2017.081.052

DO - 10.1180/minmag.2017.081.052

M3 - Article

AN - SCOPUS:85047904151

VL - 82

SP - S247-S257

JO - Mineralogical Magazine

JF - Mineralogical Magazine

SN - 0026-461X

IS - S1

ER -