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5046591 
Journal Article 
Synthesis and Characterization of the New Manganese Hydroxide Chloride γ-Mn(OH)Cl 
Falkowski, V; Zeugner, A; Isaeva, A; Ruck, M; Huppertz, H 
2018 
Yes 
European Journal of Inorganic Chemistry
ISSN: 1434-1948
EISSN: 1099-0682 
2018 
42 
4630-4637 
English 
30686931 
WOS:000450268100005 
A new modification of Mn(OH)Cl was obtained under high-pressure/high-temperature conditions in a Walker-type multianvil device. The pale pink, hygroscopic compound crystallizes in the orthorhombic space group Pnma (no. 62) with a = 602.90(4), b = 350.98(2), c = 1077.69(7) pm, and V = 228 × 106 pm3. The layered centrosymmetric structure consists of edge-sharing Mn(OH)3Cl3 octahedra arranged in sheets parallel to the (001) plane. The comparatively long H···Cl distance of 275 pm suggests only weak hydrogen bonds between neighboring layers. Spin-polarized scalar-relativistic DFT+U calculations predict a non-conducting magnetically ordered ground state with a band gap of at least 3.2 eV and an effective magnetic moment of 4.65 µB/f. u. The experimentally determined magnetic response of Mn(OH)Cl is paramagnetic in the range of 10-300 K. The estimated moment of 5.6 µB/f. u. indicates the high-spin d5 configuration of manganese(II). We find hints for a long-range magnetic ordering below 10 K.