Materials Data on Yb2Mn2Co15 by Materials Project
Yb2Mn2Co15 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Yb–Co bond distances ranging from 2.92–3.23 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two equivalent Mn and eighteen Co atoms. Both Yb–Mn bond lengths are 2.80 Å. There are a spread of Yb–Co bond distances ranging from 2.99–3.14 Å. Mn is bonded in a 3-coordinate geometry to one Yb, one Mn, and twelve Co atoms. The Mn–Mn bond length is 2.55 Å. There are a spread of Mn–Co bond distances ranging from 2.51–2.72 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three Yb, one Mn, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb3MnCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.36–2.54 Å. In the second Co site, Co is bonded to three Yb, one Mn, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb3MnCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.54 Å. In the third Co site, Co is bonded to two equivalent Yb, two equivalent Mn, and eight Co atoms to form distorted CoYb2Mn2Co8 cuboctahedra that share corners with twenty-two CoYb3MnCo8 cuboctahedra, edges with ten CoYb2Mn2Co8 cuboctahedra, and faces with eighteen CoYb3MnCo8 cuboctahedra. There are two shorter (2.40 Å) and two longer (2.41 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to two equivalent Yb, two equivalent Mn, and eight Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb2Mn2Co8 cuboctahedra. All Co–Co bond lengths are 2.41 Å. In the fifth Co site, Co is bonded to two Yb, two equivalent Mn, and eight Co atoms to form distorted CoYb2Mn2Co8 cuboctahedra that share corners with twenty-four CoYb3MnCo8 cuboctahedra, edges with five CoYb2Mn2Co8 cuboctahedra, and faces with twenty-one CoYb3MnCo8 cuboctahedra. There are one shorter (2.34 Å) and one longer (2.47 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to two Yb, two equivalent Mn, and eight Co atoms to form distorted CoYb2Mn2Co8 cuboctahedra that share corners with twenty-four CoYb3MnCo8 cuboctahedra, edges with five CoYb2Mn2Co8 cuboctahedra, and faces with twenty-one CoYb3MnCo8 cuboctahedra. There are one shorter (2.33 Å) and one longer (2.47 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to two Yb, two equivalent Mn, and eight Co atoms to form distorted CoYb2Mn2Co8 cuboctahedra that share corners with twenty-four CoYb3MnCo8 cuboctahedra, edges with five CoYb2Mn2Co8 cuboctahedra, and faces with twenty-one CoYb3MnCo8 cuboctahedra.
- 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:
- 1652998
- Report Number(s):
- mp-1204758
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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