TY - JOUR
T1 - Intercage guest correlations and guest clusters in high-pressure clathrate hydrates
AU - Tulk, Chris A.
AU - Klug, Dennis D.
AU - Chakoumakos, Bryan C.
AU - Yang, Ling
PY - 2009/8/4
Y1 - 2009/8/4
N2 - The positions of guest atoms in high-pressure hexagonal Kr clathrate hydrate have been determined. Additionally, the large cage guests of the initial cubic form show a displacement of ∼0. from the large cage center and exhibit reduced cage-to-cage correlations in guest positions; similar disorder likely carries over to the high-pressure form. Based on size and electron density maps, up to three atoms are located in the large cage of the high-pressure hexagonal form, where two Kr atoms are 2.above/below the cage center and one on a ring with a radius 1.70 from the cage center.
AB - The positions of guest atoms in high-pressure hexagonal Kr clathrate hydrate have been determined. Additionally, the large cage guests of the initial cubic form show a displacement of ∼0. from the large cage center and exhibit reduced cage-to-cage correlations in guest positions; similar disorder likely carries over to the high-pressure form. Based on size and electron density maps, up to three atoms are located in the large cage of the high-pressure hexagonal form, where two Kr atoms are 2.above/below the cage center and one on a ring with a radius 1.70 from the cage center.
UR - http://www.scopus.com/inward/record.url?scp=70249091070&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.80.052101
DO - 10.1103/PhysRevB.80.052101
M3 - Article
AN - SCOPUS:70249091070
SN - 1098-0121
VL - 80
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 5
M1 - 052101
ER -