Materials Data on ZrTiRh by Materials Project
ZrTiRh crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to four Zr, five Ti, and seven Rh atoms. There are a spread of Zr–Zr bond distances ranging from 3.15–3.29 Å. There are a spread of Zr–Ti bond distances ranging from 3.08–3.19 Å. There are a spread of Zr–Rh bond distances ranging from 2.99–3.21 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to four Zr, seven Ti, and five Rh atoms. The Zr–Zr bond length is 3.45 Å. There are a spread of Zr–Ti bond distances ranging from 3.03–3.26 Å. There are a spread of Zr–Rh bond distances ranging from 2.96–3.19 Å. In the third Zr site, Zr is bonded in a 3-coordinate geometry to four Zr, seven Ti, and five Rh atoms. There are one shorter (3.19 Å) and two longer (3.29 Å) Zr–Zr bond lengths. There are a spread of Zr–Ti bond distances ranging from 3.03–3.26 Å. There are a spread of Zr–Rh bond distances ranging from 2.96–3.19 Å. In the fourth Zr site, Zr is bonded in a 12-coordinate geometry to four Zr, five Ti, and seven Rh atoms. There are a spread of Zr–Ti bond distances ranging from 3.08–3.19 Å. There are a spread of Zr–Rh bond distances ranging from 2.99–3.21 Å. In the fifth Zr site, Zr is bonded in a 12-coordinate geometry to four Zr, five Ti, and seven Rh atoms. The Zr–Zr bond length is 3.15 Å. There are a spread of Zr–Ti bond distances ranging from 3.08–3.19 Å. There are a spread of Zr–Rh bond distances ranging from 2.99–3.21 Å. There are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to six Zr and six Rh atoms. There are a spread of Ti–Rh bond distances ranging from 2.59–2.67 Å. In the second Ti site, Ti is bonded in a distorted water-like geometry to six Zr and two equivalent Rh atoms. Both Ti–Rh bond lengths are 2.63 Å. In the third Ti site, Ti is bonded in a distorted water-like geometry to six Zr and two equivalent Rh atoms. Both Ti–Rh bond lengths are 2.58 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six Zr, four Ti, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.78 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to six Zr, two equivalent Ti, and four Rh atoms. There are one shorter (2.71 Å) and one longer (2.83 Å) Rh–Rh bond lengths.
- 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:
- 1652929
- Report Number(s):
- mp-1215246
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZrTiPd by Materials Project
Materials Data on ZrTiAu by Materials Project
Materials Data on ZrVCu by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1733137
Materials Data on ZrTiAu by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1757535
Materials Data on ZrVCu by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1679858