TY - JOUR
T1 - Synthesis, structure, and electronic and physical properties of the two SrZrS3 modifications
AU - Lee, Chi-Shen
AU - Kleinke, Katja M.
AU - Kleinke, Holger
PY - 2005/9/1
Y1 - 2005/9/1
N2 - We uncovered a new modification of SrZrS3 at low temperature, which forms the NH4CdCl3 type. The earlier reported type (GdFeO3) is the high temperature modification. The structures of both SrZrS3 modifications were determined by single crystal X-ray diffraction. Both crystallize in the orthorhombic crystal system, space group Pnma. The cell dimensions for α-SrZrS3 (NH4CdCl 3 type) are: a=8.5254(7) Å, b=3.8255(3) Å, c=13.9246(12) Å, V=454.14(6) Å3 (Z=4), and for β-SrZrS3 (GdFeO3 type): a=7.1080(5) Å, b=9.7715(7) Å, c=6.7406(5) Å, V=468.17(6) Å3 (Z=4). The α form consists of building blocks of one-dimensional chains with edge-sharing ZrS6 octahedra and intervening alkaline earth cations (Sr). The β form is comprised of a three-dimensional network of corner-sharing ZrS6 octahedra, and the structure can be viewed as a distorted perovskite.
AB - We uncovered a new modification of SrZrS3 at low temperature, which forms the NH4CdCl3 type. The earlier reported type (GdFeO3) is the high temperature modification. The structures of both SrZrS3 modifications were determined by single crystal X-ray diffraction. Both crystallize in the orthorhombic crystal system, space group Pnma. The cell dimensions for α-SrZrS3 (NH4CdCl 3 type) are: a=8.5254(7) Å, b=3.8255(3) Å, c=13.9246(12) Å, V=454.14(6) Å3 (Z=4), and for β-SrZrS3 (GdFeO3 type): a=7.1080(5) Å, b=9.7715(7) Å, c=6.7406(5) Å, V=468.17(6) Å3 (Z=4). The α form consists of building blocks of one-dimensional chains with edge-sharing ZrS6 octahedra and intervening alkaline earth cations (Sr). The β form is comprised of a three-dimensional network of corner-sharing ZrS6 octahedra, and the structure can be viewed as a distorted perovskite.
KW - Crystal structure
KW - Electronic structure
KW - Phase transformation
KW - Semiconductor
KW - Ternary sulfide
UR - http://www.scopus.com/inward/record.url?scp=25444466531&partnerID=8YFLogxK
U2 - 10.1016/j.solidstatesciences.2005.02.010
DO - 10.1016/j.solidstatesciences.2005.02.010
M3 - Article
AN - SCOPUS:25444466531
VL - 7
SP - 1049
EP - 1054
JO - Solid State Sciences
JF - Solid State Sciences
SN - 1293-2558
IS - 9
ER -