U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgTl2(PO4)4 by Materials Project
Abstract
MgTl2(PO4)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgTl2(PO4)4 sheet oriented in the (1, 0, 1) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four PO4 tetrahedra. There are four shorter (2.05 Å) and two longer (2.17 Å) Mg–O bond lengths. Tl is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Tl–O bond distances ranging from 2.58–2.70 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are eight inequivalent O sites. In the first O site, O is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192073
- 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; MgTl2(PO4)4; Mg-O-P-Tl
- OSTI Identifier:
- 1744838
- DOI:
- https://doi.org/10.17188/1744838
Citation Formats
The Materials Project. Materials Data on MgTl2(PO4)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744838.
The Materials Project. Materials Data on MgTl2(PO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1744838
The Materials Project. 2020.
"Materials Data on MgTl2(PO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1744838. https://www.osti.gov/servlets/purl/1744838. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744838,
title = {Materials Data on MgTl2(PO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTl2(PO4)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgTl2(PO4)4 sheet oriented in the (1, 0, 1) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four PO4 tetrahedra. There are four shorter (2.05 Å) and two longer (2.17 Å) Mg–O bond lengths. Tl is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Tl–O bond distances ranging from 2.58–2.70 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one MgO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of P–O bond distances ranging from 1.52–1.61 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Tl and one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tl and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two P atoms. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Tl and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one Mg atom.},
doi = {10.17188/1744838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}