[Wien] the transformation of space group C2/c for nitrate Calcium Ca(NO3)2.2H2O

[Bing Zhou]

Dear all,

I have the the question about the transformation about C2/c to a space
group which WIEN2k can recognize, could you please help me out?

The structure for nitrate Calcium Ca(NO3)2.2H2O was published in Acta
Cryst. (1974, B30, p605), the space group and unit cell parameters as well
as the atom coordinates are following:

SG: C2/c

a=7.79	b=6.88	c=12.22	beta=90.0 Z=4

	x	y	z
Ca	0.5	0.1127	0.25
O(1)	0.2413	0.3408	0.2155
O(2)	0.2532	0.5931	0.1089
O(3)	0.4735	0.3910	0.1204
O(4)	0.4050 -0.0295	0.0869
N	0.3215	0.4510	0.1452

I am looking forward to hearing from you, thank you in advance!

Best wishes!


PS: I don't know beta is 90.0, I check the paper again and again,
beta=90.0.


Bing Zhou
Dept. of Geol. Sc.
The Univ. of Manitoba
Canada R3T 2N2
Tel: (204)474-8395