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*data for ICSD #20227 Coll Code 20227 Rec Date 1986/09/25 Mod Date 2007/08/01 Chem Name Manganese(IV) Oxide - Alpha Structured Mn O2 Sum Mn1 O2 ANX AX2 D(calc) 4.21 Title The structure of the modifications of manganese(IV) oxide Author(s) Kondrashev, Yu.D.;Zaslavskii, A.I. Reference Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya (1951), 15, 179-186 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 9.815(1) 9.815(1) 2.847(1) 90. 90. 90. Vol 274.26 Z 8 Space Group I 4/m SG Number 87 Cryst Sys tetragonal Pearson tI24 Wyckoff h3 Red Cell I 2.847 7.084 7.084 87.686 78.408 78.408 137.132 Trans Red 0.000 0.000 1.000 / -0.500 -0.500 0.500 / 0.500 -0.500 0.500 Comments AE: Mn: 6o O6; O1: 3n Mn3; O2: 3l Mn3 Standardized by Structure Tidy A LT-form exists in Pnam (2nd ref., Tomaszewski), cf. 20228 The structure has been assigned a PDF number (calculated powder diffraction data): 01-072-1982 The structure has been assigned a PDF number (experimental powder diffraction data): 44-141 Structure type prototype : MnO2 Structure type : MnO2 X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Mn 1 +4 8 h 0.350(5) 0.170(5) 0 1. 0 O 1 -2 8 h 0.160(5) 0.205(5) 0 1. 0 O 2 -2 8 h 0.160(5) 0.458(5) 0 1. 0 *end for ICSD #20227 |
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Daniel1570
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