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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=83583 Help
TitleNew frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization.
AuthorsMercier, N.;le Blanc, M.;Durand, J.
ReferenceEuropean Journal of Solid State Inorganic Chemistry (1997) 34, 241-249
Link XRef SCOPUS SCIRUS Google
CompoundC3 F4 Gd2 K4 O9 - Tetrapotassium digadolinium tricarbonate tetrafluoride [A2B3C4X4Y9] [hR22] [f2 e d2 c2 a] []
Cell9.0268(3), 9.0268(3), 13.684(2), 90., 90., 120.
R32H (155) V=965.63
RemarksR=0.018000 : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
Gd1(6c)3
K1(3a)1
K2(9e)1
C1(9d)4
O1(18f)-2
O2(9d)-2
F1(6c)-1
F2(18f)-1
000.3561(1)01
00001
0.3719(1)00.501
0.6457(3)0001
0.1428(2)0.7850(3)0.0017(3)01
0.5023(7)0001
000.1945(1)01
0.0505(16)0.8997(6)0.5002(6)00.333
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Gd1(6c)3
K1(3a)1
K2(9e)1
C1(9d)4
O1(18f)-2
O2(9d)-2
F1(6c)-1
F2(18f)-1
0.0091(1)0.0091(1)0.0090(1)0.0046(1)00
0.0155(2)0.0155(2)0.0209(3)0.0076(1)00
0.0329(3)0.0290(4)0.0194(3)0.0145(2)-.0031(1)-.0062(3)
0.0100(5)0.0086(7)0.042(2)0.0043(3)-.0010(4)-.0020(8)
0.0106(4)0.0115(3)0.0824(20)0.0035(4)0.0051(8)0.0016(8)
0.0124(4)0.0173(6)0.0506(14)0.0087(3)-.0020(3)-.0039(7)
0.0298(6)0.0298(6)0.0127(6)0.0149(3)00
0.0136(12)0.092(11)0.0143(11)0.018(3)0.011(10)-.002(5)

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