Journal
SCIENCE
Volume 342, Issue 6165, Pages 1502-1505Publisher
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.1244989
Keywords
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Categories
Funding
- Young Teachers Development Project in China Agricultural University
- NSF [EAR-1114313, DMR-1231586, EAR-1128799]
- DARPA [W31P4Q1210008, W31P4Q1310005]
- Government of the Russian Federation [14.A12.31.0003]
- China's Foreign Talents Introduction and Academic Exchange Program [B08040]
- NSF
- Army Research Office
- EFREE, a BES-EFRC center at Carnegie
- German Federal Ministry of Education and Research [05K10RFA]
- CDAC (NNSA)
- U.S. Department of Energy, Office of Basic Energy Sciences (DOE-BES) [DE-AC02-98CH10086]
- DOE [DE-FG02-94ER14466]
- DOE-BES [DE-AC02-06CH11357]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1231586] Funding Source: National Science Foundation
- Directorate For Geosciences
- Division Of Earth Sciences [1114313] Funding Source: National Science Foundation
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1039807] Funding Source: National Science Foundation
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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 Na3Cl, Na2Cl, Na3Cl2, NaCl3, 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.
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