Materials Data on Sn2H10C4N2O9F2 by Materials Project
(NH4)2(SnC2O4F)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ammonium molecules; four water molecules; and two SnC2O4F ribbons oriented in the (2, 0, 1) direction. In each SnC2O4F ribbon, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.31–2.59 Å. The Sn–F bond length is 2.14 Å. In the second Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.34–2.65 Å. The Sn–F bond length is 2.09 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the third C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the fourth C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one C2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom.
- 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:
- 1287898
- Report Number(s):
- mp-738663
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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