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Experimental and theoretical study of polymorphism in CsCuPO4. / Chernyatieva, A. P.; Krivovichev, S. V.; Spiridonova, D. V.; Osinovskaya, M. S.
In: ВЕСТНИК САНКТ-ПЕТЕРБУРГСКОГО УНИВЕРСИТЕТА. СЕРИЯ 7: ГЕОЛОГИЯ, ГЕОГРАФИЯ, No. 3, 09.2015, p. 49-57.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Experimental and theoretical study of polymorphism in CsCuPO4
AU - Chernyatieva, A. P.
AU - Krivovichev, S. V.
AU - Spiridonova, D. V.
AU - Osinovskaya, M. S.
PY - 2015/9
Y1 - 2015/9
N2 - Crystals of two polymorphs of CsCuPO4 have been obtained by high-temperature reaction of CsNO3, Cu2(NO3)2 and (NH4)4P2O7. The structures of both polymorphs were solved using single crystal X-ray diff raction. α-CsCuPO4 is orthorhombic, space group Cmcm, a = 7,0176(10), b = 6,8494(5), c = 22,691(2) A, V = 1064,1(4) A3, R1 = 0,116 for 782 unique reflections [I > 2s(I)]. The structure is based upon anionic layers [Cu(PO4)]-, with Cs+ ions in between. β-CsCuPO4 is orthorhombic as well, space group Pm21n, a = 5,3362(9), b = 8,8712(20), c = 8,967(18) A, V = 422,58(15) A3, R1 = 0,096 for 1191 unique reflections [I > 2s(I)]. The structure consists of the [Cu(PO4)]-framework of the ABW topology formed by corner sharing of [PO4] and [Cu2+O4] tetrahedra. Cs+ ions reside in framework cavities. Comparative study of complexity parameters and molar volumes of the two phases demonstrates that the layered α-phase is a high-temperature modification, whereas the β-phase is a low-temperature modification. Refs 22. Tables 6.
AB - Crystals of two polymorphs of CsCuPO4 have been obtained by high-temperature reaction of CsNO3, Cu2(NO3)2 and (NH4)4P2O7. The structures of both polymorphs were solved using single crystal X-ray diff raction. α-CsCuPO4 is orthorhombic, space group Cmcm, a = 7,0176(10), b = 6,8494(5), c = 22,691(2) A, V = 1064,1(4) A3, R1 = 0,116 for 782 unique reflections [I > 2s(I)]. The structure is based upon anionic layers [Cu(PO4)]-, with Cs+ ions in between. β-CsCuPO4 is orthorhombic as well, space group Pm21n, a = 5,3362(9), b = 8,8712(20), c = 8,967(18) A, V = 422,58(15) A3, R1 = 0,096 for 1191 unique reflections [I > 2s(I)]. The structure consists of the [Cu(PO4)]-framework of the ABW topology formed by corner sharing of [PO4] and [Cu2+O4] tetrahedra. Cs+ ions reside in framework cavities. Comparative study of complexity parameters and molar volumes of the two phases demonstrates that the layered α-phase is a high-temperature modification, whereas the β-phase is a low-temperature modification. Refs 22. Tables 6.
KW - Cesium
KW - Complexity
KW - Copper
KW - Crystal structure
KW - Phosphates
KW - Polymorphism
KW - Radionuclides
UR - http://www.scopus.com/inward/record.url?scp=85042752579&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:85042752579
SP - 49
EP - 57
JO - Вестник Санкт-Петербургского университета. Науки о Земле
JF - Вестник Санкт-Петербургского университета. Науки о Земле
SN - 2541-9668
IS - 3
ER -
ID: 35996635