Matches in SemOpenAlex for { <https://semopenalex.org/work/W2949166169> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W2949166169 abstract "The crystal structures of orthorhombic and tetragonal CsAlD4 were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH4 is confirmed. For tetragonal CsAlH4, DFT calculations predicted a crystal structure in I41/amd as potential minimum structure, while from neutron diffraction studies of CsAlD4 best refinement is obtained for a disordered structure in the space group I41/a, with a = 5.67231(9) A, c = 14.2823(5) A. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained." @default.
- W2949166169 created "2019-06-27" @default.
- W2949166169 creator A5026386568 @default.
- W2949166169 creator A5043592030 @default.
- W2949166169 creator A5047258701 @default.
- W2949166169 creator A5069019868 @default.
- W2949166169 creator A5075788392 @default.
- W2949166169 creator A5076366179 @default.
- W2949166169 date "2016-01-01" @default.
- W2949166169 modified "2023-10-03" @default.
- W2949166169 title "ChemInform Abstract: Crystal Structure Relation Between Tetragonal and Orthorhombic CsAlD4: DFT and Time-of-Flight Neutron Powder Diffraction Studies." @default.
- W2949166169 cites W1937535353 @default.
- W2949166169 doi "https://doi.org/10.1002/chin.201605004" @default.
- W2949166169 hasPublicationYear "2016" @default.
- W2949166169 type Work @default.
- W2949166169 sameAs 2949166169 @default.
- W2949166169 citedByCount "0" @default.
- W2949166169 crossrefType "journal-article" @default.
- W2949166169 hasAuthorship W2949166169A5026386568 @default.
- W2949166169 hasAuthorship W2949166169A5043592030 @default.
- W2949166169 hasAuthorship W2949166169A5047258701 @default.
- W2949166169 hasAuthorship W2949166169A5069019868 @default.
- W2949166169 hasAuthorship W2949166169A5075788392 @default.
- W2949166169 hasAuthorship W2949166169A5076366179 @default.
- W2949166169 hasConcept C115624301 @default.
- W2949166169 hasConcept C170751736 @default.
- W2949166169 hasConcept C178790620 @default.
- W2949166169 hasConcept C185039092 @default.
- W2949166169 hasConcept C185592680 @default.
- W2949166169 hasConcept C37243968 @default.
- W2949166169 hasConcept C44280652 @default.
- W2949166169 hasConcept C73585123 @default.
- W2949166169 hasConcept C8010536 @default.
- W2949166169 hasConceptScore W2949166169C115624301 @default.
- W2949166169 hasConceptScore W2949166169C170751736 @default.
- W2949166169 hasConceptScore W2949166169C178790620 @default.
- W2949166169 hasConceptScore W2949166169C185039092 @default.
- W2949166169 hasConceptScore W2949166169C185592680 @default.
- W2949166169 hasConceptScore W2949166169C37243968 @default.
- W2949166169 hasConceptScore W2949166169C44280652 @default.
- W2949166169 hasConceptScore W2949166169C73585123 @default.
- W2949166169 hasConceptScore W2949166169C8010536 @default.
- W2949166169 hasLocation W29491661691 @default.
- W2949166169 hasOpenAccess W2949166169 @default.
- W2949166169 hasPrimaryLocation W29491661691 @default.
- W2949166169 hasRelatedWork W1812237411 @default.
- W2949166169 hasRelatedWork W1972558514 @default.
- W2949166169 hasRelatedWork W2001833302 @default.
- W2949166169 hasRelatedWork W2007077275 @default.
- W2949166169 hasRelatedWork W2007186259 @default.
- W2949166169 hasRelatedWork W2021331025 @default.
- W2949166169 hasRelatedWork W2023387132 @default.
- W2949166169 hasRelatedWork W2039745329 @default.
- W2949166169 hasRelatedWork W2042373530 @default.
- W2949166169 hasRelatedWork W2052974788 @default.
- W2949166169 hasRelatedWork W2080391403 @default.
- W2949166169 hasRelatedWork W2088592781 @default.
- W2949166169 hasRelatedWork W2094101280 @default.
- W2949166169 hasRelatedWork W2564308823 @default.
- W2949166169 hasRelatedWork W2620919727 @default.
- W2949166169 hasRelatedWork W3119532904 @default.
- W2949166169 hasRelatedWork W3198667456 @default.
- W2949166169 hasRelatedWork W835588662 @default.
- W2949166169 hasRelatedWork W1643164625 @default.
- W2949166169 hasRelatedWork W2734461104 @default.
- W2949166169 isParatext "false" @default.
- W2949166169 isRetracted "false" @default.
- W2949166169 magId "2949166169" @default.
- W2949166169 workType "article" @default.