Low temperature structural phase transition in the Ba2CaMoO6 perovskite

L. T. Nguyen; Robert J. Cava; Allyson M. Fry-Petit

doi:10.1016/j.jssc.2019.06.037

Low temperature structural phase transition in the Ba₂CaMoO₆ perovskite

L. T. Nguyen, Robert J. Cava, Allyson M. Fry-Petit

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

7 Scopus citations

Abstract

Ba₂CaMoO₆ was synthesized by a solid state method. The crystal structure adopts the cubic Fm-3m space group at room temperature with lattice parameters of 8.3775 (9) Å. Upon cooling, Ba₂CaMoO₆ was determined to have a structural phase transition to tetragonal I4/m (a = 5.9051 (2) Å and c = 8.3872 (4) Å) near 200 K. The phase transition was probed structurally by synchrotron and neutron diffraction and thermodynamically by specific heat and differential scanning calorimetry measurements. This structural phase transition will deepen our understanding of the perovskite family, especially the formation of perovskites that break corner sharing networks.

Original language	English (US)
Pages (from-to)	415-421
Number of pages	7
Journal	Journal of Solid State Chemistry
Volume	277
DOIs	https://doi.org/10.1016/j.jssc.2019.06.037
State	Published - Sep 2019

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

Keywords

Cooperative octahedral tilting
Noncooperative octahedral tilting
Perovskites
Structural phase transition

Access to Document

10.1016/j.jssc.2019.06.037

Cite this

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title = "Low temperature structural phase transition in the Ba2CaMoO6 perovskite",

abstract = "Ba2CaMoO6 was synthesized by a solid state method. The crystal structure adopts the cubic Fm-3m space group at room temperature with lattice parameters of 8.3775 (9) {\AA}. Upon cooling, Ba2CaMoO6 was determined to have a structural phase transition to tetragonal I4/m (a = 5.9051 (2) {\AA} and c = 8.3872 (4) {\AA}) near 200 K. The phase transition was probed structurally by synchrotron and neutron diffraction and thermodynamically by specific heat and differential scanning calorimetry measurements. This structural phase transition will deepen our understanding of the perovskite family, especially the formation of perovskites that break corner sharing networks.",

keywords = "Cooperative octahedral tilting, Noncooperative octahedral tilting, Perovskites, Structural phase transition",

author = "Nguyen, {L. T.} and Cava, {Robert J.} and Fry-Petit, {Allyson M.}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier Inc.",

year = "2019",

month = sep,

doi = "10.1016/j.jssc.2019.06.037",

language = "English (US)",

volume = "277",

pages = "415--421",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

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T1 - Low temperature structural phase transition in the Ba2CaMoO6 perovskite

AU - Nguyen, L. T.

AU - Cava, Robert J.

AU - Fry-Petit, Allyson M.

PY - 2019/9

Y1 - 2019/9

N2 - Ba2CaMoO6 was synthesized by a solid state method. The crystal structure adopts the cubic Fm-3m space group at room temperature with lattice parameters of 8.3775 (9) Å. Upon cooling, Ba2CaMoO6 was determined to have a structural phase transition to tetragonal I4/m (a = 5.9051 (2) Å and c = 8.3872 (4) Å) near 200 K. The phase transition was probed structurally by synchrotron and neutron diffraction and thermodynamically by specific heat and differential scanning calorimetry measurements. This structural phase transition will deepen our understanding of the perovskite family, especially the formation of perovskites that break corner sharing networks.

AB - Ba2CaMoO6 was synthesized by a solid state method. The crystal structure adopts the cubic Fm-3m space group at room temperature with lattice parameters of 8.3775 (9) Å. Upon cooling, Ba2CaMoO6 was determined to have a structural phase transition to tetragonal I4/m (a = 5.9051 (2) Å and c = 8.3872 (4) Å) near 200 K. The phase transition was probed structurally by synchrotron and neutron diffraction and thermodynamically by specific heat and differential scanning calorimetry measurements. This structural phase transition will deepen our understanding of the perovskite family, especially the formation of perovskites that break corner sharing networks.

KW - Cooperative octahedral tilting

KW - Noncooperative octahedral tilting

KW - Perovskites

KW - Structural phase transition

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