Materials Data on La23Cd4Ni7 by Materials Project

doi:10.17188/1745246

Title: Materials Data on La23Cd4Ni7 by Materials Project

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Abstract

La23Ni7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two Cd atoms. Both La–Ni bond lengths are 2.90 Å. There are one shorter (3.67 Å) and one longer (3.72 Å) La–Cd bond lengths. In the second La site, La is bonded in a distorted T-shaped geometry to three Ni atoms. There are two shorter (2.98 Å) and one longer (3.04 Å) La–Ni bond lengths. In the third La site, La is bonded in a distorted bent 150 degrees geometry to two Ni and two equivalent Cd atoms. There are one shorter (2.89 Å) and one longer (2.92 Å) La–Ni bond lengths. Both La–Cd bond lengths are 3.68 Å. In the fourth La site, La is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. There are two shorter (2.93 Å) and one longer (2.94 Å) La–Ni bond lengths. There are two shorter (3.60 Å) and one longer (3.65 Å) La–Cd bond lengths. In the fifth La site, La is bonded in a 1-coordinate geometry to two equivalent Nimore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1213625

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; La23Cd4Ni7; Cd-La-Ni

OSTI Identifier:: 1745246

DOI:: https://doi.org/10.17188/1745246

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                    The Materials Project. Materials Data on La23Cd4Ni7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745246.

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                    The Materials Project. Materials Data on La23Cd4Ni7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745246

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                    The Materials Project. 2020.  
"Materials Data on La23Cd4Ni7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745246.  https://www.osti.gov/servlets/purl/1745246. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1745246,

  title        = {Materials Data on La23Cd4Ni7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La23Ni7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two Cd atoms. Both La–Ni bond lengths are 2.90 Å. There are one shorter (3.67 Å) and one longer (3.72 Å) La–Cd bond lengths. In the second La site, La is bonded in a distorted T-shaped geometry to three Ni atoms. There are two shorter (2.98 Å) and one longer (3.04 Å) La–Ni bond lengths. In the third La site, La is bonded in a distorted bent 150 degrees geometry to two Ni and two equivalent Cd atoms. There are one shorter (2.89 Å) and one longer (2.92 Å) La–Ni bond lengths. Both La–Cd bond lengths are 3.68 Å. In the fourth La site, La is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. There are two shorter (2.93 Å) and one longer (2.94 Å) La–Ni bond lengths. There are two shorter (3.60 Å) and one longer (3.65 Å) La–Cd bond lengths. In the fifth La site, La is bonded in a 1-coordinate geometry to two equivalent Ni and one Cd atom. Both La–Ni bond lengths are 3.67 Å. The La–Cd bond length is 3.47 Å. In the sixth La site, La is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All La–Ni bond lengths are 2.96 Å. In the seventh La site, La is bonded in a 2-coordinate geometry to four Ni and one Cd atom. There are two shorter (2.87 Å) and two longer (3.65 Å) La–Ni bond lengths. The La–Cd bond length is 3.47 Å. In the eighth La site, La is bonded in a 4-coordinate geometry to two Ni and two equivalent Cd atoms. There are one shorter (3.51 Å) and one longer (3.65 Å) La–Ni bond lengths. Both La–Cd bond lengths are 3.45 Å. In the ninth La site, La is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All La–Ni bond lengths are 2.91 Å. All La–Cd bond lengths are 3.63 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to nine La atoms. In the second Ni site, Ni is bonded in a 6-coordinate geometry to eight La atoms. In the third Ni site, Ni is bonded in a 6-coordinate geometry to nine La atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine La and three equivalent Cd atoms to form face-sharing CdLa9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å. In the second Cd site, Cd is bonded to nine La and three Cd atoms to form a mixture of distorted face and corner-sharing CdLa9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.21 Å.},

  doi          = {10.17188/1745246},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1745246

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