TY - JOUR
T1 - Structure modification on quaternary rare earth thiophosphates
T2 - NaYbP2S6, NaSmP2S6, and KSmP2S7
AU - Goh, Eun Young
AU - Kim, Eun Jeong
AU - Kim, Sung Jin
N1 - Funding Information:
This work is supported by Grant 2000-1-12200-002-3 from the basic Research Program of the Korean Science & Engineering Foundation and in part by the Korea Research Foundation grant (KRF 99-015-DI0072).
PY - 2001
Y1 - 2001
N2 - Three rare earth quaternary compounds, NaYbP2S6, NaSmP2S6, and KSmP2S7, are synthesized using alkali metal halide or polychalcogenides flux. NaYbP2S6 was prepared from the stoichiometric reaction of Yb/S/P/NaCl flux at 700°C, and NaSmP2S6 and KSmP2S7 were prepared from Sm/S/P/Na2S (K2Sx) flux at 750°C. The structures were determined by the single-crystal X-ray diffraction technique. The air-sensitive dark-red crystals of NaYbP2S6 crystallize in the triclinic space group P-1 with a=6.8241(10) Å, b=7.0371(10) Å, c=9.107(2) Å, α=87.17(2)°, β=87.62(2)°, γ=88.30(2)°, and Z=2. The yellow plate crystals of NaSmP2S6 crystallize in the monoclinic space group P21/a with a=11.0717(10) Å, b=7.2999(1) Å, c=11.579(3) Å, β=111.30(2)°, and Z=4. The pale yellow plate crystals of KSmP2S7 crystallize in the monoclinic space group P21/a with a=8.981(2) Å, b=12.254(2) Å, c=9.609(1) Å, β=90.27(2)°, and Z=4. NaYbP2S6 and NaSmP2S6 are derivatives of the MIMIIIP2S6 family. NaYbP2S6 has a flat mono layered structure, and there are weak interactions between neighboring layers. In NaSmP2S6, two MPS3-type layers are condensed together. The ordering features of sodium and rare earth metal cations in two-dimensional layers are different: Na and Yb atoms are arranged in pairing fashion in NaYbP2S6, while Na and Sm atoms are arranged in a triangular pattern in NaSmP2S6. The structure of KSmP2S7 is similar to that of ABiP2S7 (A=K, Rb), where corrugated layers are formed from Sm3+ and [P2S7]4- units. The optically measured band gaps of NaYbP2S6 and NaSmP2S6 are 1.85 eV and 2.54 eV, respectively.
AB - Three rare earth quaternary compounds, NaYbP2S6, NaSmP2S6, and KSmP2S7, are synthesized using alkali metal halide or polychalcogenides flux. NaYbP2S6 was prepared from the stoichiometric reaction of Yb/S/P/NaCl flux at 700°C, and NaSmP2S6 and KSmP2S7 were prepared from Sm/S/P/Na2S (K2Sx) flux at 750°C. The structures were determined by the single-crystal X-ray diffraction technique. The air-sensitive dark-red crystals of NaYbP2S6 crystallize in the triclinic space group P-1 with a=6.8241(10) Å, b=7.0371(10) Å, c=9.107(2) Å, α=87.17(2)°, β=87.62(2)°, γ=88.30(2)°, and Z=2. The yellow plate crystals of NaSmP2S6 crystallize in the monoclinic space group P21/a with a=11.0717(10) Å, b=7.2999(1) Å, c=11.579(3) Å, β=111.30(2)°, and Z=4. The pale yellow plate crystals of KSmP2S7 crystallize in the monoclinic space group P21/a with a=8.981(2) Å, b=12.254(2) Å, c=9.609(1) Å, β=90.27(2)°, and Z=4. NaYbP2S6 and NaSmP2S6 are derivatives of the MIMIIIP2S6 family. NaYbP2S6 has a flat mono layered structure, and there are weak interactions between neighboring layers. In NaSmP2S6, two MPS3-type layers are condensed together. The ordering features of sodium and rare earth metal cations in two-dimensional layers are different: Na and Yb atoms are arranged in pairing fashion in NaYbP2S6, while Na and Sm atoms are arranged in a triangular pattern in NaSmP2S6. The structure of KSmP2S7 is similar to that of ABiP2S7 (A=K, Rb), where corrugated layers are formed from Sm3+ and [P2S7]4- units. The optically measured band gaps of NaYbP2S6 and NaSmP2S6 are 1.85 eV and 2.54 eV, respectively.
KW - Band gap
KW - KSmPS
KW - Layered structure
KW - MMPS family
KW - MPS type
KW - NaSmPS
KW - NaYbPS
KW - Polychalcogenides
KW - Rare earth quaternary
UR - http://www.scopus.com/inward/record.url?scp=0034810751&partnerID=8YFLogxK
U2 - 10.1006/jssc.2001.9222
DO - 10.1006/jssc.2001.9222
M3 - Article
AN - SCOPUS:0034810751
SN - 0022-4596
VL - 160
SP - 195
EP - 204
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
IS - 1
ER -