|
Bixbyite-(Mn) |
| |
Geller S |
 |
Acta Crystallographica B27 (1971) 821-828 |
|
Structures of alpha-Mn203, (Mn0.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 |
|
and relation to magnetic ordering |
|
Sample: (Mn0.983Fe0.017)203 |
|
Locality: synthetic |
|
_database_code_amcsd 0009391 |
|
9.4146 9.4146 9.4146 90 90 90 Ia3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .017 .00089 .00089 .00089 .00012 .00012 .00012 |
|
Mn1 0 0 0 .983 .00089 .00089 .00089 .00012 .00012 .00012 |
|
Fe2 .28508 0 .25 .017 .00109 .00229 .00157 .00000 .00000 .00078 |
|
Mn2 .28508 0 .25 .983 .00109 .00229 .00157 .00000 .00000 .00078 |
|
O .12913 .14708 -.08347 .00247 .00136 .00202 .00018 -.00131 -.00012 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Fe) |
| |
Geller S |
|
Acta Crystallographica B27 (1971) 821-828 |
|
Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 |
|
and relation to magnetic ordering |
|
Sample: (Mn0.37Fe0.63)2O3 |
|
Locality: synthetic |
|
_database_code_amcsd 0009392 |
|
9.4126 9.4126 9.4126 90 90 90 Ia3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .63 .00127 .00127 .00127 .00018 .00018 .00018 |
|
Mn1 0 0 0 .37 .00127 .00127 .00127 .00018 .00018 .00018 |
|
Fe2 .28473 0 .25 .63 .00172 .00179 .00160 .00000 .00000 -.00036 |
|
Mn2 .28473 0 .25 .37 .00172 .00179 .00160 .00000 .00000 -.00036 |
|
O .13527 .13950 -.08830 .00183 .00124 .00270 -.00073 -.00019 .00050 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Fe) |
| |
Ben-Dor L, Fischbein E, Kalman Z H |
|
Acta Crystallographica B32 (1976) 667-667 |
|
Concerning the beta-phase of iron(III) oxide |
|
Locality: synthetic |
|
_database_code_amcsd 0021090 |
|
9.393 9.393 9.393 90 90 90 Ia3 |
|
atom x y z |
|
Fe1 0 0 0 |
|
Fe2 .285 0 .25 |
|
O .129 .147 -.0835 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Zachariasen W |
| |
Zeitschrift fur Kristallographie 67 (1928) 455-464 |
|
Uber die Kristallstruktur von Bixbyit, sowie vom kuenstlichen Mn2O3 |
|
_cod_database_code 1011264 |
|
_database_code_amcsd 0018124 |
|
9.35 9.35 9.35 90 90 90 I2_13 |
|
atom x y z occ |
|
Fe1 .25 .25 .25 .5 |
|
Fe2 .02 0 .25 .5 |
|
Fe3 .54 0 .25 .5 |
|
Mn1 .25 .25 .25 .5 |
|
Mn2 .02 0 .25 .5 |
|
Mn3 .54 0 .25 .5 |
|
O1 .125 .135 .395 |
|
O2 .1 .358 .373 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Pauling L, Shappell M |
| |
Zeitschrift fur Kristallographie 75 (1930) 128-142 |
|
The crystal structure of bixbyite and the C-modification of the sesquioxides |
|
_database_code_amcsd 0018126 |
|
9.365 9.365 9.365 90 90 90 Ia3 |
|
atom x y z occ |
|
Fe1 .25 .25 .25 .5 |
|
Mn1 .25 .25 .25 .5 |
|
Fe2 -.030 0 .25 .5 |
|
Mn2 -.030 0 .25 .5 |
|
O .385 .145 .380 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Dachs H |
 |
Zeitschrift fur Kristallographie 107 (1956) 370-395 |
|
Die Kristallstruktur des Bixbyits (Fe,Mn)2O3 |
|
Locality: Postmasburg, Northern Cape, South Africa |
|
_database_code_amcsd 0010577 |
|
9.40 9.40 9.40 90 90 90 Ia3 |
|
atom x y z occ |
|
Fe1 .25 .25 .25 .5 |
|
Mn1 .25 .25 .25 .5 |
|
Fe2 -.0344 0 .25 .5 |
|
Mn2 -.0344 0 .25 .5 |
|
O .338 .100 .125 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 0 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021098 |
|
9.4088 9.4088 9.4088 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .69 |
|
Fe1 0 0 0 .4035 .69 |
|
Ti1 0 0 0 .0175 .69 |
|
Al1 0 0 0 .0305 .69 |
|
Mn1 .2849 0 .25 .5485 .65 |
|
Fe1 .2849 0 .25 .4035 .65 |
|
Ti1 .2849 0 .25 .0175 .65 |
|
Al1 .2849 0 .25 .0305 .65 |
|
O .1347 .1403 .9117 .81 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 4.7 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021099 |
|
9.333 9.333 9.333 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .60 |
|
Fe1 0 0 0 .4035 .60 |
|
Ti1 0 0 0 .0175 .60 |
|
Al1 0 0 0 .0305 .60 |
|
Mn1 .2847 0 .25 .5485 .47 |
|
Fe1 .2847 0 .25 .4035 .47 |
|
Ti1 .2847 0 .25 .0175 .47 |
|
Al1 .2847 0 .25 .0305 .47 |
|
O .1361 .1394 .9110 1.50 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 5.47 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021100 |
|
9.324 9.324 9.324 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .69 |
|
Fe1 0 0 0 .4035 .69 |
|
Ti1 0 0 0 .0175 .69 |
|
Al1 0 0 0 .0305 .69 |
|
Mn1 .2847 0 .25 .5485 .66 |
|
Fe1 .2847 0 .25 .4035 .66 |
|
Ti1 .2847 0 .25 .0175 .66 |
|
Al1 .2847 0 .25 .0305 .66 |
|
O .1374 .1377 .9099 .94 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 7.0 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021101 |
|
9.303 9.303 9.303 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .72 |
|
Fe1 0 0 0 .4035 .72 |
|
Ti1 0 0 0 .0175 .72 |
|
Al1 0 0 0 .0305 .72 |
|
Mn1 .2837 0 .25 .5485 .48 |
|
Fe1 .2837 0 .25 .4035 .48 |
|
Ti1 .2837 0 .25 .0175 .48 |
|
Al1 .2837 0 .25 .0305 .48 |
|
O .1372 .1386 .9115 1.97 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 8.82 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021102 |
|
9.270 9.270 9.270 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .90 |
|
Fe1 0 0 0 .4035 .90 |
|
Ti1 0 0 0 .0175 .90 |
|
Al1 0 0 0 .0305 .90 |
|
Mn1 .2837 0 .25 .5485 .48 |
|
Fe1 .2837 0 .25 .4035 .48 |
|
Ti1 .2837 0 .25 .0175 .48 |
|
Al1 .2837 0 .25 .0305 .48 |
|
O .1370 .1384 .9090 1.34 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Yamanaka T, Nagai T, Okada T, Fukuda T |
| |
Zeitschrift fur Kristallographie 220 (2005) 938-945 |
|
Structure change of Mn2O3 under high pressure and pressure-induced transition |
|
Note: P = 9.64 GPa |
|
Locality: Mt Thomas, Utah, USA |
|
_database_code_amcsd 0021103 |
|
9.262 9.262 9.262 90 90 90 Ia3 |
|
atom x y z occ Biso |
|
Mn1 0 0 0 .5485 .74 |
|
Fe1 0 0 0 .4035 .74 |
|
Ti1 0 0 0 .0175 .74 |
|
Al1 0 0 0 .0305 .74 |
|
Mn1 .2836 0 .25 .5485 .58 |
|
Fe1 .2836 0 .25 .4035 .58 |
|
Ti1 .2836 0 .25 .0175 .58 |
|
Al1 .2836 0 .25 .0305 .58 |
|
O .1364 .1393 .9098 1.11 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Klein H |
| |
Zeitschrift fur Kristallographie 228 (2013) 35-42 |
|
Structure solution of oxides from zone axes precession electron diffraction data |
|
Sample: X-ray diffraction |
|
Locality: synthetic |
|
_database_code_amcsd 0021091 |
|
9.41 9.41 9.41 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 0 0 0 |
|
Mn2 .25 .27918 0 |
|
O .125 .15 .912 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Klein H |
| |
Zeitschrift fur Kristallographie 228 (2013) 35-42 |
|
Structure solution of oxides from zone axes precession electron diffraction data |
|
Sample: PED as measured |
|
Locality: synthetic |
|
_database_code_amcsd 0021092 |
|
9.41 9.41 9.41 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 0 0 0 |
|
Mn2 .25 .276 0 |
|
O .125 .151 .915 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Klein H |
| |
Zeitschrift fur Kristallographie 228 (2013) 35-42 |
|
Structure solution of oxides from zone axes precession electron diffraction data |
|
Sample: PED deteriorated |
|
Locality: synthetic |
|
_database_code_amcsd 0021093 |
|
9.41 9.41 9.41 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 0 0 0 |
|
Mn2 .25 .284 0 |
|
O .123 .144 .938 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Bixbyite-(Mn) |
| |
Rayaprol S, Kaushik S D, Babu P D Siruguri V |
| |
AIP Conference Proceedings 1512 (2013) 1132-1133 |
|
Structure and magnetism of FeMnO3 |
|
Locality: synthetic |
|
_database_code_amcsd 0021108 |
|
9.41081 9.41081 9.41081 90 90 90 Ia3 |
|
atom x y z occ Uiso |
|
Fe1 .25 .25 .25 .5 .02089 |
|
Mn1 .25 .25 .25 .5 .02089 |
|
Fe2 -.02424 0 .25 .5 .02089 |
|
Mn2 -.02424 0 .25 .5 .02089 |
|
O .3351 .11011 .125 .00353 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Fert A |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 85 (1962) 267-270 |
|
Structure de quelques oxydes de terres rares |
|
Locality: synthetic |
|
_database_code_amcsd 0021106 |
|
9.42 9.42 9.42 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 .25 .25 .25 |
|
Mn2 -.0347 0 .25 |
|
O .378 .167 .379 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Wang X, Li G, Chu Q, Liu X, Feng S |
| |
Chemical Journal of Chinese Universities 28 (2007) 821-823 |
|
Synthesis, structure characterization and magnetic properties of single |
|
crystal of dimanganese trioxide |
|
Locality: synthetic |
|
_database_code_amcsd 0021104 |
|
9.4173 9.4173 9.4173 90 90 90 Ia3 |
|
atom x y z Uiso |
|
Mn1 .25 .25 .25 .007 |
|
Mn2 .25 .4653 0 .008 |
|
O .1206 .3346 .1042 .015 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Norberg S T, Azimi G, Hull S, Leion H |
| |
CrystEngComm 18 (2016) 5537-5546 |
|
In situ neutron powder diffraction study of the reaction M2O3 <-> M3O4 <-> MO, |
|
M = (Fe0.2Mn0.8): implications for chemical looping with oxygen uncoupling |
|
Note: T = 700 C |
|
Locality: synthetic |
|
_database_code_amcsd 0021112 |
|
9.48780 9.48780 9.48780 90 90 90 Ia3 |
|
atom x y z occ Uiso |
|
Mn1 0 0 0 .689 .0013 |
|
Fe1 0 0 0 .311 .0013 |
|
Mn2 .2822 0 .25 .840 .0014 |
|
Fe2 .2822 0 .25 .160 .0014 |
|
O .08383 .3691 .1434 .00196 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Fe) |
| |
Danno T, Nakatsuka D, Kusano Y, Asaoka H, Nakanishi M, Fujii T, Ikeda Y, Takada J |
| |
Crystal Growth & Design 13 (2013) 770-774 |
|
Crystal structure of beta-Fe2O3 and topotactic phase transformation to alpha-Fe2O3 |
|
Locality: synthetic |
|
_database_code_amcsd 0021095 |
|
9.4039 9.4039 9.4039 90 90 90 Ia3 |
|
atom x y z Biso |
|
Fe1 0 0 0 .40 |
|
Fe2 .2844 0 .25 .38 |
|
O .1428 .1319 .9057 .44 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Morozov I S, Kuznetsov V G |
| |
Izvestiya Akademii Nauk SSSR 1949 (1949) 343-353 |
|
The crystal structure of Mn2O3 |
|
Locality: synthetic |
|
_database_code_amcsd 0021096 |
|
9.408 9.408 9.408 90 90 90 Ia3 |
|
atom x y z Biso |
|
Mn1 .25 .25 .25 |
|
Mn2 .97 0 .25 |
|
O .385 .145 .38 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bixbyite-(Mn) |
| |
Ghosh D, Dutta U, Haque A, Mordvinova N E, Lebedev O I, Pal K, Gayen A, |
|
Mahata P, Kundu A K, Seikh M M |
| |
Materials Science & Engineering B 226 (2017) 206-210 |
|
Evidence of low temperature spin glass transition in bixbyite type FeMnO3 |
|
Locality: synthetic |
|
_database_code_amcsd 0021105 |
|
9.413 9.413 9.413 90 90 90 Ia3 |
|
atom x y z occ |
|
Mn1 0 0 0 .5 |
|
Fe1 0 0 0 .5 |
|
Mn2 .28528 0 .25 .5 |
|
Fe2 .28528 0 .25 .5 |
|
O .13526 .13961 -.08799 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Bixbyite-(Mn) |
| |
Hase W |
| |
Physica Status Solidi 3 (1963) 446-449 |
|
Neutronographische Bestimmung der Kristallstrukturparameter von Dy2O3, |
|
Tm2O3 und alpha-Mn2O3 |
|
Locality: synthetic |
|
_database_code_amcsd 0021097 |
|
9.43 9.43 9.43 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 .25 .25 .25 |
|
Mn2 -.032 0 .25 |
|
O .3800 .1670 .398 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Bixbyite-(Mn) |
| |
Cockayne E, Levin I, Wu H, Llobet A |
| |
Physical Review B87 (2013) 184413 |
|
Magnetic structure of bixbyite alpha-Mn2O3: A combined DFT+U and neutron diffraction study |
|
Locality: theoretical |
|
_database_code_amcsd 0021109 |
|
9.4090 9.4090 9.4090 90 90 90 Ia3 |
|
atom x y z |
|
Mn1 0 0 0 |
|
Mn2 0 .25 .2848 |
|
O .4162 .1286 .3555 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
|
| |
|
Bixbyite-(Mn) |
| |
Cockayne E, Levin I, Wu H, Llobet A |
| |
Physical Review B87 (2013) 184413 |
|
Magnetic structure of bixbyite alpha-Mn2O3: A combined DFT+U and neutron diffraction study |
|
Note: T = 2 K |
|
Locality: synthetic |
|
_database_code_amcsd 0021110 |
|
9.4078 9.4488 9.3739 90 90 90 Pbca |
|
atom x y z Uiso |
|
Mn1 0 0 0 .0021 |
|
Mn2 .5 .5 .5 .0021 |
|
Mn3 .268 .280 -.011 .0021 |
|
Mn4 .2880 .009 .246 .0021 |
|
Mn5 .012 .237 .2833 .0021 |
|
O1 .4276 .1240 .3502 .0040 |
|
O2 .1395 .3513 .4074 .0040 |
|
O3 .3586 .4169 .1209 .0040 |
|
O4 .0738 .3712 .1385 .0040 |
|
O5 .3821 .1509 .0803 .0040 |
|
O6 .1563 .0882 .3586 .0040 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Bixbyite-(Mn) |
| |
Cockayne E, Levin I, Wu H, Llobet A |
| |
Physical Review B87 (2013) 184413 |
|
Magnetic structure of bixbyite alpha-Mn2O3: A combined DFT+U and neutron diffraction study |
|
Note: T = 100 K |
|
Locality: synthetic |
|
_database_code_amcsd 0021111 |
|
9.4104 9.4509 9.3706 90 90 90 Pbca |
|
atom x y z Uiso |
|
Mn1 0 0 0 .0031 |
|
Mn2 .5 .5 .5 .0031 |
|
Mn3 .2598 .2854 -.0105 .0031 |
|
Mn4 .2867 .0017 .2436 .0031 |
|
Mn5 .0127 .2456 .2827 .0031 |
|
O1 .4253 .1241 .3511 .0049 |
|
O2 .1399 .3509 .4068 .0049 |
|
O3 .3579 .4175 .1218 .0049 |
|
O4 .0838 .3725 .1402 .0049 |
|
O5 .3797 .1477 .0789 .0049 |
|
O6 .1554 .0882 .3609 .0049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
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Bixbyite-(Mn) |
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Zachariasen W H |
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Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1-165 |
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Untersuchungen uber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 |
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_database_code_amcsd 0017467 |
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9.41 9.41 9.41 90 90 90 I2_13 |
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atom x y z |
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Mn1 .25 .25 .25 |
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Mn2 .021 0 .25 |
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Mn3 .542 0 .25 |
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O1 .125 .125 .375 |
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O2 .125 .375 .375 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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