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Title: Materials Data on MgP(CO4)2 by Materials Project

Abstract

MgP(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgP(CO4)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.62 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one P and one O atom. The C–P bond length is 2.00 Å. The C–O bond length is 1.14 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. P is bonded in a distorted trigonal planar geometry to one C and three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry tomore » one Mg atom. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. 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 bent 150 degrees geometry to one Mg and one P atom. In the seventh O site, O is bonded in a 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 C atom.« less

Publication Date:
Other Number(s):
mp-1200361
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MgP(CO4)2; C-Mg-O-P
OSTI Identifier:
1710078
DOI:
https://doi.org/10.17188/1710078

Citation Formats

The Materials Project. Materials Data on MgP(CO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710078.
The Materials Project. Materials Data on MgP(CO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710078
The Materials Project. 2020. "Materials Data on MgP(CO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710078. https://www.osti.gov/servlets/purl/1710078. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1710078,
title = {Materials Data on MgP(CO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgP(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgP(CO4)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.62 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one P and one O atom. The C–P bond length is 2.00 Å. The C–O bond length is 1.14 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. P is bonded in a distorted trigonal planar geometry to one C and three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. 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 bent 150 degrees geometry to one Mg and one P atom. In the seventh O site, O is bonded in a 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 C atom.},
doi = {10.17188/1710078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}