根据PDF卡片求一个cif文件,用来画晶胞
Cr(OH)3是Hexagonal(六方)晶型
我想画出一个六方结构的晶胞,如下图所示,只不过要在相应的位置加上Cr O原子
PDF卡片信息如下:
PDF#16-0817: QM=Indexed(I); d=Guinier(114.6mm); I=Other/Unknown
Chromium Hydroxide Hydrate
Cr ( O H )3 .3 H2 O
Radiation=CuKa1 Lambda=1.54056 Filter=
Calibration= 2T=18.201-71.028 I/Ic(RIR)=
Ref: de Wolff, P., Technisch Physische Dienst, Delft, The Netherlands.
ICDD Grant-in-Aid
Hexagonal - Powder Diffraction Z=1 mp=
CELL: 5.288 x 5.288 x 4.871 <90.0 x 90.0 x 120.0> P.S=h?16 (Bayerite, Al H3 O3)
Density(c)=2.897 Density(m)=1.90A Mwt=157.06 Vol=117.96 F(16)=25.8(0.031,20/0)
Ref: Ibid.
Strong Lines: 4.58/X 4.87/6 3.34/6 2.32/2 1.79/2 2.15/1 1.67/1 2.07/1 1.73/1 1.63/1
NOTE: Sample prepared at Chemistry Dept., T.U.
Delft, The Netherlands.