Materials Data on Sr2MnCu2(SO)2 by Materials Project
Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.45 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, one Mn2+, and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1268731
- Report Number(s):
- mp-555285
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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