Materials Data on HoCd6 by Materials Project
HoCd6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to seventeen Cd atoms. There are a spread of Ho–Cd bond distances ranging from 3.29–3.66 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Ho–Cd bond distances ranging from 3.28–3.67 Å. In the third Ho site, Ho is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Ho–Cd bond distances ranging from 3.27–3.63 Å. There are seventeen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to three Ho and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.93–3.13 Å. In the second Cd site, Cd is bonded to three Ho and nine Cd atoms to form a mixture of face and edge-sharing CdHo3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.83–3.22 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to three Ho and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.87–3.11 Å. In the fourth Cd site, Cd is bonded to three Ho and nine Cd atoms to form a mixture of face and edge-sharing CdHo3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.85–3.21 Å. In the fifth Cd site, Cd is bonded to two equivalent Ho and ten Cd atoms to form distorted CdHo2Cd10 cuboctahedra that share corners with two equivalent CdHo2Cd10 cuboctahedra, an edgeedge with one CdHo2Cd10 cuboctahedra, and faces with six CdHo3Cd9 cuboctahedra. There are two shorter (2.89 Å) and two longer (3.36 Å) Cd–Cd bond lengths. In the sixth Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ho and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.82–3.44 Å. In the seventh Cd site, Cd is bonded to two equivalent Ho and ten Cd atoms to form distorted CdHo2Cd10 cuboctahedra that share corners with two equivalent CdHo2Cd10 cuboctahedra, an edgeedge with one CdHo2Cd10 cuboctahedra, and faces with six CdHo3Cd9 cuboctahedra. Both Cd–Cd bond lengths are 3.34 Å. In the eighth Cd site, Cd is bonded in a 10-coordinate geometry to three Ho and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.99–3.06 Å. In the ninth Cd site, Cd is bonded in a 10-coordinate geometry to three Ho and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.10 Å. In the tenth Cd site, Cd is bonded in a 8-coordinate geometry to one Ho and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.69–3.07 Å. In the eleventh Cd site, Cd is bonded in a 11-coordinate geometry to three Ho and eight Cd atoms. There are one shorter (2.97 Å) and one longer (3.00 Å) Cd–Cd bond lengths. In the twelfth Cd site, Cd is bonded in a 10-coordinate geometry to three Ho and seven Cd atoms. There are one shorter (2.84 Å) and one longer (2.96 Å) Cd–Cd bond lengths. In the thirteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Ho and nine Cd atoms. The Cd–Cd bond length is 2.96 Å. In the fourteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Ho and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.04–3.22 Å. In the fifteenth Cd site, Cd is bonded in a distorted q6 geometry to three Ho and six Cd atoms. The Cd–Cd bond length is 2.90 Å. In the sixteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Ho and nine Cd atoms. The Cd–Cd bond length is 3.02 Å. In the seventeenth Cd site, Cd is bonded to three Ho and nine Cd atoms to form a mixture of face and edge-sharing CdHo3Cd9 cuboctahedra. The Cd–Cd bond length is 3.11 Å.
- 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:
- 1711602
- Report Number(s):
- mp-1225485
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on SrCd6 by Materials Project
Materials Data on DyCd6 by Materials Project