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Database Hematite Alpha Fe2o3

This document provides information about the mineral hematite, including its empirical formula (Fe2O3), crystal system (rhombohedral), space group, unit cell parameters, calculated density, and peak intensities in its X-ray diffraction pattern. Hematite is an iron oxide mineral with the chemical formula Fe2O3. Its crystal structure was calculated from data in the ICSD using POWD-12++.

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Erina Rizki Nugrahani
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394 views3 pages

Database Hematite Alpha Fe2o3

This document provides information about the mineral hematite, including its empirical formula (Fe2O3), crystal system (rhombohedral), space group, unit cell parameters, calculated density, and peak intensities in its X-ray diffraction pattern. Hematite is an iron oxide mineral with the chemical formula Fe2O3. Its crystal structure was calculated from data in the ICSD using POWD-12++.

Uploaded by

Erina Rizki Nugrahani
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as RTF, PDF, TXT or read online on Scribd
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Name and formula

Reference code: 01-073-0603

Mineral name: Hematite, syn


Compound name: Iron Oxide
ICSD name: Iron Oxide

Empirical formula: Fe2O3


Chemical formula: Fe2O3

Crystallographic parameters

Crystal system: Rhombohedral


Space group: R-3c
Space group number: 167

a (Å): 5.0342
b (Å): 5.0342
c (Å): 13.7483
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 120.0000

Calculated density (g/cm^3): 5.27


Volume of cell (10^6 pm^3): 301.75
Z: 6.00

RIR: 0.06

Subfiles and quality

Subfiles: Alloy, metal or intermetalic


Corrosion
Inorganic
Mineral
Modelled additional pattern
Quality: Calculated (C)

Comments

ICSD collection code: 022505


Creation Date: 1/1/1970
Modification Date: 1/1/1970
ICSD Collection Code: 022505
Temperature Factor: ATF.
References

Primary reference: Calculated from ICSD using POWD-12++, (1997)


Structure: Antipin, M.Y., Tzirelson, V.G., Flugge, M.P., Gerr, R.G., Struchkov, Y.T.,
Ozerov, R.P., Dokl. Akad. Nauk SSSR, 281, 854, (1985)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 0 1 2 3.68171 24.154 2.6
2 1 0 4 2.69915 33.164 0.1
3 1 1 0 2.51710 35.640 100.0
4 1 1 3 2.20622 40.871 0.1
5 2 0 2 2.07790 43.519 0.1
6 0 2 4 1.84086 49.473 0.1
7 2 1 1 1.63612 56.174 0.1
8 1 2 2 1.60243 57.463 0.1
9 0 1 8 1.59881 57.606 0.1
10 3 0 0 1.45325 64.018 0.1
11 2 0 8 1.34958 69.608 0.1
12 1 0 10 1.31118 71.958 0.1
13 1 1 9 1.30591 72.294 0.1
14 2 2 0 1.25855 75.476 0.1
15 2 2 3 1.21362 78.797 0.1
16 1 3 1 1.20453 79.509 0.1
17 3 1 2 1.19089 80.606 0.1
18 1 3 4 1.14065 84.957 0.1
19 3 1 5 1.10688 88.201 0.1

Stick Pattern

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