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1 entry selected.
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=34945 Help
TitleHydrogen bonding and cation ordering in Magnet Cove pectolite.
AuthorsTakeuchi, Y.;Kudoh, Y.
ReferenceZeitschrift fuer Kristallographie, Krist (1977) 146, 281-292
Link XRef SCOPUS Google
CompoundH1 Ca2 Na1 O9 Si3 - [Pectolite 1A] Hydrogen sodium dicalcium catena-trisilicate [AB2C3X9] [aP32] [i15] []
Cell7.980(1), 7.023(1), 7.018(1), 90.54(1), 95.14(1), 102.55(1)
P1- (2) V=382.2
RemarksR=0.021400 : M =Pectolite 1A : =33-1223 :
Calculated density unusual but tolerable.
Ca1 contains .002(Mn+Fe), Ca2 .057(Mn+Fe)
PDF 33-1223, R(isotropic)=0.043, mean T-O: 1.626, 1.627, 1.638

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(2i)2
Ca2(2i)2
Na1(2i)1
H1(2i)1
Si1(2i)4
Si2(2i)4
Si3(2i)4
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
O7(2i)-2
O8(2i)-2
O9(2i)-2
0.850.590.1401
0.840.080.1401
0.550.250.3401
0.170.640.525.821
0.210.400.3301
0.210.950.3401
0.450.730.1401
0.650.780.1201
0.330.70-.0501
0.180.490.5301
0.170.840.5401
0.060.380.1701
0.060.890.1701
0.390.530.2701
0.390.900.2701
0.260.190.3801
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ca1(2i)2
Ca2(2i)2
Na1(2i)1
H1(2i)1
Si1(2i)4
Si2(2i)4
Si3(2i)4
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
O7(2i)-2
O8(2i)-2
O9(2i)-2
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
000000
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.00-.000.00
0.000.000.000.000.00-.00
0.000.000.000.000.000.00
0.000.000.000.00-.000.00
0.000.000.000.00-.00-.00
0.000.000.000.000.000.00
0.000.000.000.000.00-.00
0.000.000.000.000.000.00

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