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DOE OSTI · 1674757

Materials Data on FeHg2C6S2(NO2)2 by Materials Project

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Abstract

Fe(Hg(NCS))2(CO)4 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight ferrum molecules; thirty-two formaldehyde molecules; and four Hg(NCS) ribbons oriented in the (0, 0, 1) direction. In each Hg(NCS) ribbon, Hg2+ is bonded in an L-shaped geometry to one N3- and one S2- atom. The Hg–N bond length is 2.90 Å. The Hg–S bond length is 2.61 Å. C+1.83+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a distorted single-bond geometry to one Hg2+ and one C+1.83+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C+1.83+ atom.

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36 MATERIALS SCIENCEC-Fe-Hg-N-O-Scrystal structureFeHg2C6S2(NO2)2

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2020-04-29. Materials Data on FeHg2C6S2(NO2)2 by Materials Project. https://doi.org/10.17188/1674757

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