Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry
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Hydrostatic compression of galenobismutite (PbBi2S4) : elastic properties and high-pressure crystal chemistry. / Olsen, Lars Arnskov; Balic Zunic, Tonci; Makovicky, Emil; Ullrich, Angela; Miletich, Ronald.
In: Phys. Chem. Minerals, Vol. 34, No. 7, 2007, p. 467–475.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Hydrostatic compression of galenobismutite (PbBi2S4)
T2 - elastic properties and high-pressure crystal chemistry
AU - Olsen, Lars Arnskov
AU - Balic Zunic, Tonci
AU - Makovicky, Emil
AU - Ullrich, Angela
AU - Miletich, Ronald
PY - 2007
Y1 - 2007
N2 - A single-crystal sample of galenobismutite was subjected to hydrostatic pressures in the range of 0.0001 and 9 GPa at room temperature using the diamond-anvil cell technique. A series of X-ray diVraction intensities were collected at ten distinct pressures using a CCD equipped 4-circle diVractometer. The crystal structure was reWned to R1(|F0| > 4s) values of approximately 0.05 at all pressures. By Wtting a third-order Birch-Murnaghan equation of state to the unit-cell volumes V0 = 700.6(2) Å3, K0 = 43.9(7) GPa and dK/dP = 6.9(3) could be determined for the lattice compression. Both types of cations in galenobismutite have stereochemically active lone electron pairs, which distort the cation polyhedra at room pressure. The cation eccentricities decrease at higher pressure but are still pronounced at 9 GPa. Galenobismutite is isotypic with CaFe2O4 (CF) but moves away from the idealised CF-type structure during compression. Instead of the two octahedral cation sites and one bi-capped trigonal-prismatic site, PbBi2S4 attains a new high-pressure structure characterised by one octahedral site and two mono-capped trigonal-prismatic sites. Analyses of the crystal structure at high pressure conWrm the preference of Bi for the octahedral site and the smaller one of the two trigonal-prismatic sites.
AB - A single-crystal sample of galenobismutite was subjected to hydrostatic pressures in the range of 0.0001 and 9 GPa at room temperature using the diamond-anvil cell technique. A series of X-ray diVraction intensities were collected at ten distinct pressures using a CCD equipped 4-circle diVractometer. The crystal structure was reWned to R1(|F0| > 4s) values of approximately 0.05 at all pressures. By Wtting a third-order Birch-Murnaghan equation of state to the unit-cell volumes V0 = 700.6(2) Å3, K0 = 43.9(7) GPa and dK/dP = 6.9(3) could be determined for the lattice compression. Both types of cations in galenobismutite have stereochemically active lone electron pairs, which distort the cation polyhedra at room pressure. The cation eccentricities decrease at higher pressure but are still pronounced at 9 GPa. Galenobismutite is isotypic with CaFe2O4 (CF) but moves away from the idealised CF-type structure during compression. Instead of the two octahedral cation sites and one bi-capped trigonal-prismatic site, PbBi2S4 attains a new high-pressure structure characterised by one octahedral site and two mono-capped trigonal-prismatic sites. Analyses of the crystal structure at high pressure conWrm the preference of Bi for the octahedral site and the smaller one of the two trigonal-prismatic sites.
KW - Faculty of Science
KW - Lone electron pair
KW - High pressure
KW - Galenobismutite
KW - Equation of state
KW - Calcium ferrite structuretype
U2 - 10.1007/s00269-007-0163-9
DO - 10.1007/s00269-007-0163-9
M3 - Journal article
VL - 34
SP - 467
EP - 475
JO - Physics and Chemistry of Minerals
JF - Physics and Chemistry of Minerals
SN - 0342-1791
IS - 7
ER -
ID: 1614629