Materials Data on In9Ni13 by Materials Project
Ni13In9 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ni13In9 sheet oriented in the (1, 1, -2) direction. there are thirteen inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. The Ni–Ni bond length is 2.03 Å. There is one shorter (1.48 Å) and one longer (1.81 Å) Ni–In bond length. In the second Ni site, Ni is bonded in a square co-planar geometry to two Ni and two In atoms. There is one shorter (1.88 Å) and one longer (1.90 Å) Ni–Ni bond length. There are one shorter (2.00 Å) and one longer (2.01 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 1.98 Å. The Ni–In bond length is 1.67 Å. In the fourth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. There is one shorter (1.88 Å) and one longer (2.05 Å) Ni–Ni bond length. The Ni–In bond length is 1.69 Å. In the fifth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 2.01 Å. The Ni–In bond length is 1.66 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to one Ni and two In atoms. There is one shorter (1.93 Å) and one longer (1.96 Å) Ni–In bond length. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to two Ni and two In atoms. The Ni–Ni bond length is 2.01 Å. There is one shorter (1.96 Å) and one longer (2.01 Å) Ni–In bond length. In the eighth Ni site, Ni is bonded in a 1-coordinate geometry to two Ni and one In atom. The Ni–Ni bond length is 1.90 Å. The Ni–In bond length is 1.71 Å. In the ninth Ni site, Ni is bonded in a 4-coordinate geometry to two Ni and two In atoms. The Ni–Ni bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Ni–In bond length. In the tenth Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. There is one shorter (1.48 Å) and one longer (1.84 Å) Ni–In bond length. In the eleventh Ni site, Ni is bonded in a 2-coordinate geometry to one Ni and two In atoms. There is one shorter (1.92 Å) and one longer (1.99 Å) Ni–In bond length. In the twelfth Ni site, Ni is bonded in a rectangular see-saw-like geometry to two Ni and two In atoms. Both Ni–In bond lengths are 2.02 Å. In the thirteenth Ni site, Ni is bonded in a linear geometry to two In atoms. Both Ni–In bond lengths are 1.91 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the third In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the fourth In site, In is bonded in a 1-coordinate geometry to one Ni atom. In the fifth In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the sixth In site, In is bonded in a distorted linear geometry to two Ni atoms. In the seventh In site, In is bonded in a 3-coordinate geometry to three Ni atoms. In the eighth In site, In is bonded in a 1-coordinate geometry to one Ni atom. In the ninth In site, In is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms.
- 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:
- 1280034
- Report Number(s):
- mp-641509
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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