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Materials Data on Ho(BO2)6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1667339· OSTI ID:1667339
Ho(BO2)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.34–2.47 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and one B atom. In the second O site, O is bonded in a 2-coordinate geometry to one Ho and two B atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ho and two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms.
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:
1667339
Report Number(s):
mp-1203590
Country of Publication:
United States
Language:
English

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