Controlling the Negative Thermal Expansion and Response to Pressure in ReO3-type Fluorides by the Deliberate Introduction of Excess Fluoride: Mg1–x Zr1+xF6+2x, x = 0.15, 0.30, 0.40, and 0.50

Baxter, Samuel J.; Hester, Brett R.; Wright, Breaunna R.; Wilkinson, Angus P.

doi:10.1021/acs.chemmater.9b00592

Title: Controlling the Negative Thermal Expansion and Response to Pressure in ReO₃-type Fluorides by the Deliberate Introduction of Excess Fluoride: Mg_1–x Zr_1+xF_6+2x, x = 0.15, 0.30, 0.40, and 0.50

Journal Article · Tue Apr 16 00:00:00 EDT 2019 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.9b00592· OSTI ID:1524647

^[1]; Hester, Brett R. ^[1]; Wright, Breaunna R. ^[1];

^[1]

Georgia Inst. of Technology, Atlanta, GA (United States)

Cubic ReO₃-type fluorides often display negative or very low thermal expansion. However, they also typically undergo phase transitions upon cooling and/or modest compression, which are undesirable from the perspective of potential applications. Density measurements and total scattering data for Mg_1–xZr_1+xF_6+2x, x = 0.15, 0.30, 0.40, and 0.50, indicate that the introduction of excess fluoride into cubic MgZrF₆ is accompanied by the population of interstitial fluoride sites and the conversion of corner to edge shared coordination polyhedra. Unlike MgZrF₆, no phase transitions are seen upon cooling these materials to 10 K, and the first high pressure phase transition in these compositions occurs at pressures much higher than that previously reported for MgZrF₆ (0.37 GPa). The introduction of excess fluoride also provides for control of thermal expansion. Overall, for all of the compositions studied, negative thermal expansion is seen at the lowest temperature examined, and positive thermal expansion is observed at the highest temperature. The temperature at which zero thermal expansion occurs varies from ~150 K for x = 0.50 to ~500 K for x = 0.00. High pressure diffraction also indicates that increasing the amount of excess fluoride elastically stiffens the cubic ReO₃ related structure and reduces the extent of pressure induced softening.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1524647

Journal Information:: Chemistry of Materials, Vol. 31, Issue 9; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 10 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Controlling the Negative Thermal Expansion and Response to Pressure in ReO3-type Fluorides by the Deliberate Introduction of Excess Fluoride: Mg1–x Zr1+xF6+2x, x = 0.15, 0.30, 0.40, and 0.50

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Title: Controlling the Negative Thermal Expansion and Response to Pressure in ReO₃-type Fluorides by the Deliberate Introduction of Excess Fluoride: Mg_1–x Zr_1+xF_6+2x, x = 0.15, 0.30, 0.40, and 0.50