Materials Data on MgH4(ClO5)2 by Materials Project
MgH4(O5Cl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two MgH4(O5Cl)2 ribbons oriented in the (0, 1, 0) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four equivalent ClO4 tetrahedra. There are two shorter (2.05 Å) and four longer (2.10 Å) Mg–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Mg and two equivalent H atoms. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.47 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with two equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 38°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1704858
- Report Number(s):
- mp-1188899
- Country of Publication:
- United States
- Language:
- English
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