Synthesis and crystal structure of Li0.52Mg0.96 Sc0.52Si2O6 orthopyroxene

Hexiong Yang, Robert T Downs

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Li0.52Mg0.96Sc0.52 Si2O6 orthopyroxene was synthesized by the flux method and its structure studied with single-crystal X-ray diffraction. The crystal is orthorhombic with space group Pbca and unit-cell parameters a = 18.259(5), b = 8.883(2), c = 5.271(1) Å, and V = 854.9(3) Å3. The structure refinement shows that the M1 and M2 sites are occupied by (0.48 Mg + 0.52 Sc) and (0.48 Mg + 0.52 Li), respectively. While the O3-O3-O3 kinking angle (165.40°) of the silicate tetrahedral A chain appears to be normal when compared with reported data, the kinking angle (151.92°) of the B chain is the largest of all orthopyroxenes examined at ambient conditions. This is the first orthopyroxene structure that contains more than 50% trivalent and monovalent cations in the M1 and M2 sites, respectively, and displays a kinking angle of the tetrahedral B chain that is greater than 150°. Our study demonstrates the stability of the new pyroxene structure type predicted by Pannhorst (1979) at room temperature.

Original languageEnglish (US)
Pages (from-to)225-228
Number of pages4
JournalAmerican Mineralogist
Volume92
Issue number1
DOIs
StatePublished - Jan 2007

Fingerprint

kinking
Silicates
Monovalent Cations
orthopyroxene
crystal structure
Crystal structure
Single crystals
crystal
Fluxes
X ray diffraction
Crystals
synthesis
pyroxene
silicate
cation
X-ray diffraction
Temperature
silicates
cations
temperature

Keywords

  • Crystal structure
  • LiMgScSi O
  • Orthopyroxene
  • X-ray diffraction

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics

Cite this

Synthesis and crystal structure of Li0.52Mg0.96 Sc0.52Si2O6 orthopyroxene. / Yang, Hexiong; Downs, Robert T.

In: American Mineralogist, Vol. 92, No. 1, 01.2007, p. 225-228.

Research output: Contribution to journalArticle

@article{8fcff5f840d9409fb7594a5086ac894e,
title = "Synthesis and crystal structure of Li0.52Mg0.96 Sc0.52Si2O6 orthopyroxene",
abstract = "Li0.52Mg0.96Sc0.52 Si2O6 orthopyroxene was synthesized by the flux method and its structure studied with single-crystal X-ray diffraction. The crystal is orthorhombic with space group Pbca and unit-cell parameters a = 18.259(5), b = 8.883(2), c = 5.271(1) {\AA}, and V = 854.9(3) {\AA}3. The structure refinement shows that the M1 and M2 sites are occupied by (0.48 Mg + 0.52 Sc) and (0.48 Mg + 0.52 Li), respectively. While the O3-O3-O3 kinking angle (165.40°) of the silicate tetrahedral A chain appears to be normal when compared with reported data, the kinking angle (151.92°) of the B chain is the largest of all orthopyroxenes examined at ambient conditions. This is the first orthopyroxene structure that contains more than 50{\%} trivalent and monovalent cations in the M1 and M2 sites, respectively, and displays a kinking angle of the tetrahedral B chain that is greater than 150°. Our study demonstrates the stability of the new pyroxene structure type predicted by Pannhorst (1979) at room temperature.",
keywords = "Crystal structure, LiMgScSi O, Orthopyroxene, X-ray diffraction",
author = "Hexiong Yang and Downs, {Robert T}",
year = "2007",
month = "1",
doi = "10.2138/am.2007.2439",
language = "English (US)",
volume = "92",
pages = "225--228",
journal = "American Mineralogist",
issn = "0003-004X",
publisher = "Mineralogical Society of America",
number = "1",

}

TY - JOUR

T1 - Synthesis and crystal structure of Li0.52Mg0.96 Sc0.52Si2O6 orthopyroxene

AU - Yang, Hexiong

AU - Downs, Robert T

PY - 2007/1

Y1 - 2007/1

N2 - Li0.52Mg0.96Sc0.52 Si2O6 orthopyroxene was synthesized by the flux method and its structure studied with single-crystal X-ray diffraction. The crystal is orthorhombic with space group Pbca and unit-cell parameters a = 18.259(5), b = 8.883(2), c = 5.271(1) Å, and V = 854.9(3) Å3. The structure refinement shows that the M1 and M2 sites are occupied by (0.48 Mg + 0.52 Sc) and (0.48 Mg + 0.52 Li), respectively. While the O3-O3-O3 kinking angle (165.40°) of the silicate tetrahedral A chain appears to be normal when compared with reported data, the kinking angle (151.92°) of the B chain is the largest of all orthopyroxenes examined at ambient conditions. This is the first orthopyroxene structure that contains more than 50% trivalent and monovalent cations in the M1 and M2 sites, respectively, and displays a kinking angle of the tetrahedral B chain that is greater than 150°. Our study demonstrates the stability of the new pyroxene structure type predicted by Pannhorst (1979) at room temperature.

AB - Li0.52Mg0.96Sc0.52 Si2O6 orthopyroxene was synthesized by the flux method and its structure studied with single-crystal X-ray diffraction. The crystal is orthorhombic with space group Pbca and unit-cell parameters a = 18.259(5), b = 8.883(2), c = 5.271(1) Å, and V = 854.9(3) Å3. The structure refinement shows that the M1 and M2 sites are occupied by (0.48 Mg + 0.52 Sc) and (0.48 Mg + 0.52 Li), respectively. While the O3-O3-O3 kinking angle (165.40°) of the silicate tetrahedral A chain appears to be normal when compared with reported data, the kinking angle (151.92°) of the B chain is the largest of all orthopyroxenes examined at ambient conditions. This is the first orthopyroxene structure that contains more than 50% trivalent and monovalent cations in the M1 and M2 sites, respectively, and displays a kinking angle of the tetrahedral B chain that is greater than 150°. Our study demonstrates the stability of the new pyroxene structure type predicted by Pannhorst (1979) at room temperature.

KW - Crystal structure

KW - LiMgScSi O

KW - Orthopyroxene

KW - X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=33846510957&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33846510957&partnerID=8YFLogxK

U2 - 10.2138/am.2007.2439

DO - 10.2138/am.2007.2439

M3 - Article

AN - SCOPUS:33846510957

VL - 92

SP - 225

EP - 228

JO - American Mineralogist

JF - American Mineralogist

SN - 0003-004X

IS - 1

ER -