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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=83774 Help
TitleOrthorhombic Jahn-Teller distortion and Si - O H in mozartite, Ca Mn(3+) O (Si O3 O H) : a single-crystal X-ray, FTIR, and structure modelling study.
AuthorsNyfeler, D.;Hoffmann, C.;Armbruster, T.;Kunz, M.;Libowitzky, E.
ReferenceIC&volume=82&fpage=841&details=yes target=icsd_help>American Mineralogist (1997) 82, 841-848
Link XRef SCOPUS Google
CompoundH1 Ca1 Mn1 O5 Si1 - [Mozartite] Calcium manganese(III) oxide hydroxotrioxosilicate [ABCX5] [oP36] [a8] []
Cell5.846(1), 7.248(1), 8.726(1), 90., 90., 90.
P212121 (19) V=369.74
RemarksR=0.028000 : T =500 : M =Mozartite :

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4a)2
Mn1(4a)3
Si1(4a)4
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
H1(4a)1
0.020.370.6701
0.740.250.9901
0.500.620.8101
0.490.450.9301
0.060.700.0601.
0.270.650.7201
0.730.620.7001
0.000.390.9301
0.060.570.030.081
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4a)2
Mn1(4a)3
Si1(4a)4
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
H1(4a)1
0.010.010.000.000.000.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.000.00
0.010.000.000.000.000.00
0.020.010.010.000.00-.00
0.000.010.010.00-.000.00
0.010.010.000.000.000.00
0.000.000.01-.00-.000.00
000000

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