Materials Data on Na2BiO3 by Materials Project

doi:10.17188/1307130

Title: Materials Data on Na2BiO3 by Materials Project

Dataset
Other Related Research

Abstract

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Na–O bond distances ranging from 2.37–2.59 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–13°. There are a spread of Na–O bond distances ranging from 2.36–2.44 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent BiO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–14°. There are a spread of Bi–O bond distances ranging from 2.08–2.53 Å. There are three inequivalent Omore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-780618

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Na2BiO3; Bi-Na-O

OSTI Identifier:: 1307130

DOI:: https://doi.org/10.17188/1307130

Citation Formats


                    The Materials Project. Materials Data on Na2BiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307130.

Copy to clipboard


                    The Materials Project. Materials Data on Na2BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307130

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Na2BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307130.  https://www.osti.gov/servlets/purl/1307130. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1307130,

  title        = {Materials Data on Na2BiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Na–O bond distances ranging from 2.37–2.59 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 1–13°. There are a spread of Na–O bond distances ranging from 2.36–2.44 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent BiO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–14°. There are a spread of Bi–O bond distances ranging from 2.08–2.53 Å. There are three inequivalent O sites. In the first O site, O is bonded to three Na and three equivalent Bi atoms to form a mixture of edge and corner-sharing ONa3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. In the second O site, O is bonded to five Na and one Bi atom to form a mixture of edge and corner-sharing ONa5Bi octahedra. The corner-sharing octahedra tilt angles range from 6–12°. In the third O site, O is bonded to four Na and two equivalent Bi atoms to form a mixture of edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 1–7°.},

  doi          = {10.17188/1307130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1307130

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Na2BiO3 by Materials Project

Dataset The Materials Project

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four BiO6 octahedra, edges with four BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Na–O bond distances ranging from 2.44–2.72 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that sharemore »« less
Materials Data on Na2BiO3 by Materials Project

Dataset The Materials Project

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedramore »« less
Materials Data on Na2BiO3 by Materials Project

Dataset The Materials Project

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are a spread of Na–O bond distances ranging from 2.44–2.54 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that sharemore »« less
Materials Data on Na2BiO3 by Materials Project

Dataset The Materials Project

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Na–O bond distances ranging from 2.36–2.68 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra thatmore »« less
Materials Data on Na2BiO3 by Materials Project

Dataset The Materials Project

Na2BiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four NaO6 octahedra, edges with five equivalent BiO6 octahedra, and edges with seven NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are two shorter (2.46 Å) and four longer (2.55 Å) Na–O bond lengths. In the second Na site, Na is bonded to six O atoms to form NaO6more »« less

Similar Records