Name and formula

Reference code: 00-044-0141

PDF index name: Manganese Oxide

Empirical formula: MnO2

Chemical formula: MnO2

Crystallographic parameters
Crystal system: Tetragonal
Space group: I4/m
Space group number: 87

a (Å): 9.7847
b (Å): 9.7847
c (Å): 2.8630
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000

Calculated density (g/cm^3): 4.21

Volume of cell (10^6 pm^3): 274.10
Z: 8.00

RIR: -

Subfiles and Quality

Subfiles: Inorganic
Alloy, metal or intermetalic
Corrosion
Quality: Star (S)

Comments
Color: Black
General comments: Validated by Rietveld structure refinements using both X-ray and neutron
diffraction data.
Sample preparation: Prepared by acid treatment of Li2MnO3 (prepared from electrolytic MnO2
and LiOH · H2O at 800 C) with 1-5M H2SO4 at ~90 C and dried overnight at
300 C.
Analysis: Chemical analysis showed a residual Li+ content of only 0.029 wt.% and a
residual H content of 0.03 wt.% (equivalent to a residual H2O content of 0.29
wt.%).

References
Primary reference: Liles, D., Rossouw, M., Thackeray, M., Div. Mater. Sci. & Tech., CSIR,
Pretoria, South Africa., Private Communication, (1992)
Powder data: Rossouw, M., Liles, D., Thackeray, M., David, W., Hull, S., Mater. Res. Bull.,
27, 221, (1992)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 1 1 0 6.91900 12.784 37.0
2 2 0 0 4.89500 18.108 53.0
3 2 2 0 3.46200 25.712 5.0
4 3 1 0 3.09300 28.842 82.0
5 4 0 0 2.44700 36.697 24.0
6 2 1 1 2.39500 37.523 100.0
7 3 3 0 2.30700 39.011 9.0
8 4 2 0 2.18800 41.226 5.0
9 3 0 1 2.15100 41.969 28.0
10 3 2 1 1.96990 46.038 2.0
11 5 1 0 1.91740 47.374 8.0
12 4 1 1 1.82730 49.865 50.0
13 4 4 0 1.73070 52.857 1.0
14 6 0 0 1.63080 56.373 29.0
15 4 3 1 1.61620 56.929 10.0
16 5 2 1 1.53420 60.276 58.0
17 0 0 2 1.43150 65.110 15.0
18 1 1 2 1.40130 66.693 1.0
19 7 1 0 1.38380 67.650 1.0
20 2 0 2 1.37420 68.187 5.0
21 5 4 1 1.34780 69.713 35.0
22 2 2 2 1.32340 71.191 1.0
23 3 1 2 1.29940 72.714 8.0
24 7 3 0 1.28440 73.702 3.0
25 4 0 2 1.23520 77.162 4.0
26 3 3 2 1.21630 78.590 10.0
27 6 6 0 1.15320 83.821 2.0
28 5 1 2 1.14730 84.351 3.0
29 7 4 1 1.11750 87.150 2.0
30 6 0 2 1.07570 91.465 9.0
31 7 1 2 0.99490 101.474 2.0
32 6 4 2 0.98490 102.908 1.0
33 8 5 1 0.97510 104.365 2.0
34 2 1 3 0.93240 111.410 6.0
35 6 6 2 0.89800 118.140 2.0
36 4 1 3 0.88540 120.918 5.0

Stick Pattern