The in-situ X-ray diffraction (XRD) and Raman spectra of synthetic (Mg, Fe, Mn)CO
3 single crystals for (Mg
0.37Fe
0.31Mn
0.32)CO
3, (Mg
0.49Fe
0.51)CO
3, (Fe
0.47Mn
0.53)CO
3, and (Mg
0.50Mn
0.50)CO
3 were investigated up to 871 K. Lattice parameters and the volumetric thermal expansion coefficients were achieved, demonstrating an inherent anisotropy of
c/
a near to 3.0. The Raman spectra of our intermediate components all exhibit a negative temperature dependence similar to that of the end members. The temperature dependence of the external modes
T,
L, anti-symmetric stretching mode
ν3, and out-of-plane bending mode 2ν
2 is generally more prominent than the in-plane bending mode
ν4 and symmetric stretching mode
ν1 except for siderite FeCO
3. Combining thermal expansion coefficients α
V with the relative changes in frequency δνi/δT of Raman spectra, the average thermodynamic Grüneisen parameters (γ
th) for (Mg
0.37Fe
0.31Mn
0.32)CO
3, (Fe
0.47Mn
0.53)CO
3, (Mg
0.50Mn
0.50)CO
3, MgCO
3, and MnCO
3 were obtained as 1.18, 1.36, 1.34, 1.13, and 1.53, respectively. The relationship between Fe
2+ and Mn
2+ contents and γ
th illustrates that the concentration of Fe
2+ causes a negative effect while the concentration of Mn
2+ causes a positive effect on γ
th. These results could provide a reference for the contribution of Fe
2+ and Mn
2+ on the structural and thermodynamic properties of (Mg, Fe, Mn)CO
3 carbonates.
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