An extended thermal pressure equation of state for sodium fluoride

被引：1

作者：

Clough, Lewis A. ^{[1
,2
]}

Funnell, Nicholas P. ^{[3
]}

Ridley, Christopher J. ^{[3
,4
]}

Daisenberger, Dominik ^{[5
]}

Hriljac, Joseph A. ^{[5
]}

Lozinsek, Matic ^{[6
]}

Angel, Ross J. ^{[7
]}

Parsons, Simon ^{[1
,2
]}

机构：

[1] Univ Edinburgh, EaStCHEM Sch Chem, Kings Bldg,W Mains Rd, Edinburgh EH9 3FJ, Midlothian, Scotland

[2] Univ Edinburgh, Ctr Sci Extreme Condit, Kings Bldg,W Mains Rd, Edinburgh EH9 3FJ, Midlothian, Scotland

[3] Rutherford Appleton Lab, ISIS Neutron & Muon Source, Didcot OX11 0QX, Oxon, England

[4] Oak Ridge Natl Lab, Neutron Scattering Div, Oak Ridge, TN 37831 USA

[5] Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England

[6] Jozef Stefan Inst, Jamova 39, Ljubljana 1000, Slovenia

[7] CNR, Ist Geosci & Georisorse, Corso Stati Uniti 4, I-35127 Padua, Italy

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2025年 / 58卷

基金：

欧洲研究理事会; 英国工程与自然科学研究理事会; 英国科学技术设施理事会;

关键词：

sodium fluoride; equation of state; bulk modulus; thermal expansion; ELASTIC-CONSTANTS; GRUNEISEN PARAMETERS; HEAT-CAPACITIES; ALKALI-HALIDES; DIAMOND; NACL; EXPANSION; QUARTZ; NAF; LIF;

D O I：

10.1107/S1600576725000330

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The effect of pressure and temperature on the unit-cell volume of NaF has been measured by X-ray powder diffraction at ambient pressure between 12 and 300 K and neutron powder diffraction up to 5 GPa between 140 and 350 K. These data have been combined with high-pressure volume data at 300 and 950 K to 25 GPa and adiabatic bulk modulus data to 650 K to define an equation of state for NaF relating molar volume to both temperature and pressure. The model combines a fourth-order Birch-Murnaghan equation of state at 295 K with a Mie-Gruneisen-Debye model for thermal pressure. The parameters of the model set at 295 K and ambient pressure are as follows: reference unit-cell volume V-0 = 14.9724 (5) cm(3) mol(-1), isothermal bulk modulus K-0T = 46.79 (14) GPa, first derivative of the bulk modulus K-0T ' = 5.72 (12), second derivative of the bulk modulus K-0T '' = 0.43 (4) GPa(-1), Debye temperature T-MGD = 459 (3) K, and Anderson Gruneisen parameters gamma(0) = 1.547 (11) and q = 0.94 (18).

引用

页码：227 / 232

页数：6

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