TY - JOUR
T1 - Structure of a high temperature phase of potassium dideuteriophosphate (DKDP)
AU - Subramony, J. Anand
AU - Lovell, Scott
AU - Kaminsky, Werner
AU - Kahr, Bart
N1 - Funding Information:
This work was supported by the National Science Foundation and the Petroleum Research Fund of the American Chemical Society. We are grateful to Natalia Zaitseva and James De Yoreo of Lawrence Livermore National Laboratory for samples of tetragonal KD 2 PO 4 .
PY - 2004/12
Y1 - 2004/12
N2 - We previously determined the crystal structures of the high temperature phases of KH2PO4 [J.A. Subramony, S. Lovell, B. Kahr, Chem. Mater. 10 (1998) 2053. [6]]. These triclinic and monoclinic phases were obtained by heating the room temperature tetragonal form until new crystal phases were identified by polarization microscopy. These samples were subsequently cooled to room temperature thereby preserving the metastable high temperature phases for analysis. KD2PO4 is distinct from KH2PO4 in that it crystallizes at room temperature in a monoclinic phase unknown for its isotopomer, therefore the question as to whether it would support the corresponding high temperature phases remained open until our report here of the transformation of monoclinic KD 2PO4 to an isomorphous triclinic high temperature phase: space group P̄1 with a = 7.475(1) Å, b = 7.440(1) Å, c = 7.184(1) Å, α = 88.53(1) Å, β = 86.81(1)°, γ = 88.09(1)°, V= 398.58 Å3. This is the first known high temperature phase of DKDP, a material coveted at room temperature for its optical properties.
AB - We previously determined the crystal structures of the high temperature phases of KH2PO4 [J.A. Subramony, S. Lovell, B. Kahr, Chem. Mater. 10 (1998) 2053. [6]]. These triclinic and monoclinic phases were obtained by heating the room temperature tetragonal form until new crystal phases were identified by polarization microscopy. These samples were subsequently cooled to room temperature thereby preserving the metastable high temperature phases for analysis. KD2PO4 is distinct from KH2PO4 in that it crystallizes at room temperature in a monoclinic phase unknown for its isotopomer, therefore the question as to whether it would support the corresponding high temperature phases remained open until our report here of the transformation of monoclinic KD 2PO4 to an isomorphous triclinic high temperature phase: space group P̄1 with a = 7.475(1) Å, b = 7.440(1) Å, c = 7.184(1) Å, α = 88.53(1) Å, β = 86.81(1)°, γ = 88.09(1)°, V= 398.58 Å3. This is the first known high temperature phase of DKDP, a material coveted at room temperature for its optical properties.
KW - A. Nonlinear optic materials
KW - A. Phosphates
KW - A. Salts
KW - C. Crystal structure
KW - C. X-ray diffraction
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U2 - 10.1016/j.ssc.2004.09.044
DO - 10.1016/j.ssc.2004.09.044
M3 - Article
AN - SCOPUS:10644231978
SN - 0038-1098
VL - 132
SP - 827
EP - 830
JO - Solid State Communications
JF - Solid State Communications
IS - 12
ER -