Unexpected stable stoichiometries of sodium chlorides

Weiwei Zhang; Artem R. Oganov; Alexander F. Goncharov; Qiang Zhu; Salah Eddine Boulfelfel; Andriy O. Lyakhov; Elissaios Stavrou; Maddury Somayazulu; Vitali B. Prakapenka; Zuzana Konop̂ková

doi:10.1126/science.1244989

Unexpected stable stoichiometries of sodium chlorides

Weiwei Zhang^*, Artem R. Oganov, Alexander F. Goncharov, Qiang Zhu, Salah Eddine Boulfelfel, Andriy O. Lyakhov, Elissaios Stavrou, Maddury Somayazulu, Vitali B. Prakapenka, Zuzana Konop̂ková

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

378 Scopus citations

Abstract

Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. As a result of the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding (with 1:1 stoichiometry dictated by charge balance) and B1-type crystal structure. By combining theoretical predictions and diamond anvil cell experiments, we found that new materials with different stoichiometries emerge at high pressures. Compounds such as Na ₃Cl, Na₂Cl, Na₃Cl₂, NaCl ₃, and NaCl₇ are theoretically stable and have unusual bonding and electronic properties. To test this prediction, we synthesized cubic and orthorhombic NaCl₃ and two-dimensional metallic tetragonal Na₃Cl. These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.

Original language	English
Pages (from-to)	1502-1505
Number of pages	4
Journal	Science
Volume	342
Issue number	6165
DOIs	https://doi.org/10.1126/science.1244989
State	Published - 2013
Externally published	Yes

Access to Document

10.1126/science.1244989

Cite this

@article{2923404f2b3147cf9a18a5c0d540427c,

title = "Unexpected stable stoichiometries of sodium chlorides",

abstract = "Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. As a result of the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding (with 1:1 stoichiometry dictated by charge balance) and B1-type crystal structure. By combining theoretical predictions and diamond anvil cell experiments, we found that new materials with different stoichiometries emerge at high pressures. Compounds such as Na 3Cl, Na2Cl, Na3Cl2, NaCl 3, and NaCl7 are theoretically stable and have unusual bonding and electronic properties. To test this prediction, we synthesized cubic and orthorhombic NaCl3 and two-dimensional metallic tetragonal Na3Cl. These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.",

author = "Weiwei Zhang and Oganov, {Artem R.} and Goncharov, {Alexander F.} and Qiang Zhu and Boulfelfel, {Salah Eddine} and Lyakhov, {Andriy O.} and Elissaios Stavrou and Maddury Somayazulu and Prakapenka, {Vitali B.} and Zuzana Kono{\^p}kov{\'a}",

year = "2013",

doi = "10.1126/science.1244989",

language = "英语",

volume = "342",

pages = "1502--1505",

journal = "Science",

issn = "0036-8075",

publisher = "American Association for the Advancement of Science",

number = "6165",

}

TY - JOUR

T1 - Unexpected stable stoichiometries of sodium chlorides

AU - Zhang, Weiwei

AU - Oganov, Artem R.

AU - Goncharov, Alexander F.

AU - Zhu, Qiang

AU - Boulfelfel, Salah Eddine

AU - Lyakhov, Andriy O.

AU - Stavrou, Elissaios

AU - Somayazulu, Maddury

AU - Prakapenka, Vitali B.

AU - Konop̂ková, Zuzana

PY - 2013

Y1 - 2013

N2 - Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. As a result of the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding (with 1:1 stoichiometry dictated by charge balance) and B1-type crystal structure. By combining theoretical predictions and diamond anvil cell experiments, we found that new materials with different stoichiometries emerge at high pressures. Compounds such as Na 3Cl, Na2Cl, Na3Cl2, NaCl 3, and NaCl7 are theoretically stable and have unusual bonding and electronic properties. To test this prediction, we synthesized cubic and orthorhombic NaCl3 and two-dimensional metallic tetragonal Na3Cl. These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.

AB - Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. As a result of the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding (with 1:1 stoichiometry dictated by charge balance) and B1-type crystal structure. By combining theoretical predictions and diamond anvil cell experiments, we found that new materials with different stoichiometries emerge at high pressures. Compounds such as Na 3Cl, Na2Cl, Na3Cl2, NaCl 3, and NaCl7 are theoretically stable and have unusual bonding and electronic properties. To test this prediction, we synthesized cubic and orthorhombic NaCl3 and two-dimensional metallic tetragonal Na3Cl. These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.

UR - http://www.scopus.com/inward/record.url?scp=84890841921&partnerID=8YFLogxK

U2 - 10.1126/science.1244989

DO - 10.1126/science.1244989

M3 - 文章

AN - SCOPUS:84890841921

SN - 0036-8075

VL - 342

SP - 1502

EP - 1505

JO - Science

JF - Science

IS - 6165

ER -

Unexpected stable stoichiometries of sodium chlorides

Abstract

Access to Document

Other files and links

Fingerprint

Cite this