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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


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=79839 Help
TitleTemperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles.
AuthorsOberti, R.;Ungaretti, L.;Cannillo, E.;Hawthorne, F.C.;Memmi, I.
ReferenceEuropean Journal of Mineralogy (1995) 7, 1049-1063
Link XRef SCOPUS SCIRUS Google
CompoundH2 Al1.9 Ca1.84 Fe1.46 K0.1 Mg3.1 Na0.4 O24 Si6.4 Ti0.3 - [Pargasite] Sodium calcium magnesium alumosilicate hydroxide * [AB4C20D50X240] [mS83] [j7 i3 h3 g2 b a] []
Cell9.874, 18.04799, 5.321, 90., 105.08, 90.
C12/M1 (12) V=915.58
RemarksR=0.014000 : DEF MIN =Pargasite : MXD =Fe : PDF =39-373 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
PDF 39-373, Bik from author, mean T-O: 1.657, 1.646, mean M-O: 2.094, 2.043, 2.087, 2.488
Sample S(8), no site occupations given; formula in analogy to sample S(7) from same rock sample), cp.79838

Atom (site) Oxid. x, y, z, B, Occupancy
O1(8j)-2
O2(8j)-2
O3(4i)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(4i)-2
Si1(8j)4
Al1(8j)3
Si2(8j)4
Al2(8j)3
Mg1(4h)2
Fe1(4h)2
Mg2(4g)2
Al3(4g)3
Ti1(4g)4
Fe2(4g)2.5
Mg3(2a)2
Fe3(2a)2
Ca1(4h)2
Fe4(4h)2
Ca2(4h)2
Fe5(4h)2
Na1(2b)1
K1(4i)1
Na2(4g)1
H1(4i)1
0.107750.08870.2151601
0.118440.173830.7332401
0.108900.7141201.
0.368680.249710.7903601
0.349290.138910.1106201
0.342910.117390.6020501
0.3360100.2812301
0.280570.085250.3011900.7
0.280570.085250.3011900.3
0.290620.172080.8116800.9
0.290620.172080.8116800.1
00.088780.500.7
00.088780.500.3
00.17788000.5
00.17788000.15
00.17788000.15
00.17788000.2
00000.7
00000.3
00.279990.500.83
00.279990.500.07
00.253910.51.040.09
00.253910.51.040.01
00.5000.36
0.0290.50.0737100.05
00.46826000.02
0.1887500.75391.531
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
O1(8j)-2
O2(8j)-2
O3(4i)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(4i)-2
Si1(8j)4
Al1(8j)3
Si2(8j)4
Al2(8j)3
Mg1(4h)2
Fe1(4h)2
Mg2(4g)2
Al3(4g)3
Ti1(4g)4
Fe2(4g)2.5
Mg3(2a)2
Fe3(2a)2
Ca1(4h)2
Fe4(4h)2
Ca2(4h)2
Fe5(4h)2
Na1(2b)1
K1(4i)1
Na2(4g)1
H1(4i)1
0.00170.00070.0065-.00020.0008-.0001
0.00180.00050.007200.00030.0003
0.00180.00060.009200.00070
0.00310.00060.0094-.00020.00160.0001
0.00220.00090.009500.00080.001
0.00210.00090.01030.00020.0008-.001
0.00270.00060.015400.00080
0.00120.00030.0047-.00010.00040
0.00120.00030.0047-.00010.00040
0.00130.00040.0049-.00010.00060.0001
0.00130.00040.0049-.00010.00060.0001
0.0020.00050.004900.00110
0.0020.00050.004900.00110
0.00170.00040.005600.00090
0.00170.00040.005600.00090
0.00170.00040.005600.00090
0.00170.00040.005600.00090
0.00190.00030.004600.00050
0.00190.00030.004600.00050
0.00240.00060.008700.00240
0.00240.00060.008700.00240
000000
000000
0.00520.00270.017200.00920
0.01530.00210.047900.02060
0.00420.00070.037400.00920
000000

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