Standard X-ray Diffraction Powder Patterns
Standard X-ray Diffraction Powder Patterns
Standard X-ray Diffraction Powder Patterns
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Calcium chloride (hydrophilite), CaCL<br />
Sample<br />
CaCC>3 was slowly converted to CaCl2 by exposure<br />
to dry HC1 fumes. However, since a few peaks of<br />
another phase persisted in the sample it was<br />
felt that intensity values should be calculated<br />
rather than measured.<br />
d (A)<br />
o<br />
Internal standard W, a = 3.16516 A<br />
CuK^ A = 1.54056 A; temp. 25 °C<br />
7<br />
(calc.)<br />
hkl<br />
*'(«)<br />
Color<br />
Colorless<br />
4.48<br />
3.46<br />
3.050<br />
2.858<br />
2.816<br />
85<br />
17<br />
100<br />
35<br />
4<br />
110<br />
101<br />
111<br />
120<br />
210<br />
19.80<br />
25.71<br />
29.26<br />
31.27<br />
31.75<br />
Structure<br />
Orthorhombic, Pnnm (58), Z=2, distorted rutile<br />
arrangement. The structure was determined by van<br />
Bever and Nieuwenkamp [1935]. Intensity values<br />
were calculated from structure data using the<br />
following information:<br />
NBS lattice constants:<br />
a = 6.261(2)A<br />
b = 6.429(2)<br />
c = 4.167(1)<br />
Atom positions:<br />
Ca (0 0 0)<br />
Cl (.275 .325 0) [van Bever and Nieuwenkamp,<br />
1935]<br />
Scattering factors:<br />
Ca 2 +, Cl" [International Tables, 1962]<br />
Thermal parameters:<br />
overall B = 1.0<br />
2.356<br />
2.331<br />
2.244<br />
2.083<br />
2.027<br />
1.974<br />
1.906<br />
1.890<br />
1.866<br />
1.792<br />
1.751<br />
1.684<br />
1.565<br />
1.527<br />
1.496<br />
25<br />
50<br />
30<br />
20<br />
3<br />
2<br />
25<br />
10<br />
11<br />
10<br />
4<br />
7<br />
4<br />
10<br />
4<br />
121<br />
211<br />
220<br />
002<br />
130<br />
221<br />
031<br />
112<br />
301<br />
311<br />
320<br />
122<br />
400<br />
222<br />
330<br />
Additional patterns<br />
1. PDF card 1-0338 [Hanawalt et al., 1938]<br />
2. Doll and Klemm [1939]<br />
38.16<br />
38.59<br />
40.16<br />
43.40<br />
44.66<br />
45.94<br />
47.68<br />
48.10<br />
48.75<br />
50.92<br />
52.20<br />
54.44<br />
58.97<br />
60.59<br />
62.00<br />
Density<br />
(calculated) 2.175 g/cm 3<br />
Polymorphism<br />
Jensen [1943] described 3 modifications.<br />
References<br />
van Bever, A. K. and Nieuwenkamp, W. (1935). Z.<br />
Krist. 90, 374.<br />
Doll, W. and Klemm, W. (1939). Z. anorg. u. allgem.<br />
Chem. 241, 233.<br />
Hanawalt, J.D., Rinn, H.W., and Frevel, L.K.(1938)<br />
Ind. Eng. Chem. Anal. Ed. 10, 457.<br />
International Tables III (1962). 202, 204.<br />
Jensen, A.T. (1943). Kgl. Danske Videnskab. Selskab<br />
20 #5, 1.<br />
18
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