TY - JOUR AU - Pimentel, Carlos AU - Pina Martínez, Carlos Manuel AU - Saínz-Díaz, C.I. PY - 2021 DO - 10.1021/acsearthspacechem.1c00058 SN - 2472-3452 UR - https://hdl.handle.net/20.500.14352/8438 T2 - ACS Earth and Space Chemistry AB - Norsethite, BaMg(CO3)2, is an interesting mineral that can be used to investigate processes leading to the formation of dolomite and other dolomite-type structures. To this end, it is first necessary to study in detail the Ba–Mg cation arrangement in... LA - eng M2 - 1486 PB - American Chemical Society KW - carbonate mineral cation order dolomite analogue quantum mechanical simulations DFT TI - DFT Simulations of the Structure and Cation Order of Norsethite, BaMg(CO3)2 TY - journal article VL - 5 ER -