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ICSD for WWW : Details

ICSD for WWW

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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=75951 Help
TitleQuadridavyne, ((Na, K)6 Cl2) (Ca2 Cl2) (Si6 Al6 O24), a new feldspathoid mineral from Vesuvius area.
AuthorsBonaccorsi, E.;Merlino, S.;Orlandi, P.;Pasero, M.;Vezzalini, G.
ReferenceEuropean Journal of Mineralogy (1994) 6, 481-487
Link XRef SCOPUS SCIRUS Google
CompoundAl6 Ca2 Cl4 K1.92 Na4.08 O24 Si6 - [Quadridavyne] Sodium potassium calcium tecto-alumosilicate chloride * [A3B4C9D12X8Y48] [hP192] [i4 h27 d c] []
Cell25.771(6), 25.771(6), 5.371(1), 90., 90., 120.
P63/M (176) V=3089.22
RemarksR=0.140000 : DEF MIN =Quadridavyne : PDF =46-1474 :
Calculated density unusual but tolerable.
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 46-1474, substructure with a/2 yields R=0.09, 1st refinement
Disorders in 15 h at 873 K with a=12.750, c=5.383, R=0.063
Standard deviations, U-values and some corrections from author

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(6h)4
Si2(6h)4
Si3(6h)4
Si4(6h)4
Al1(6h)3
Al2(6h)3
Al3(6h)3
Al4(6h)3
O1(6h)-2
O2(6h)-2
O3(12i)-2
O4(6h)-2
O5(6h)-2
O6(12i)-2
O7(12i)-2
O8(6h)-2
O9(6h)-2
O10(12i)-2
O11(6h)-2
O12(6h)-2
Ca1(2c)2
Cl1(2d)-1
Ca2(6h)2
Cl2(6h)-1
Na1(6h)1
K1(6h)1
Na2(6h)1
K2(6h)1
Na3(6h)1
K3(6h)1
Cl3(6h)-1
Cl4(6h)-1
K4(6h)1
Na5(6h)1
Na4(6h)1
Cl5(6h)-1
0.1615(7)0.2042(9)0.750.009(6)1
0.2921(7)0.4597(7)0.750.006(9)1
0.041(1)0.335(1)0.750.043(9)1
0.2082(9)0.5408(7)0.250.008(5)1
0.0345(7)0.2082(7)0.750.009(9)1
0.299(1)0.333(1)0.750.021(7)1
0.168(1)0.464(1)0.750.015(7)1
0.209(1)0.6692(9)0.250.016(8)1
0.105(1)0.215(4)0.750.06(2)1
0.060(2)0.2844(9)0.750.01(1)1
0.172(2)0.002(1)0.02(1)0.02(1)1
0.294(2)0.399(2)0.750.02(1)1
0.211(3)0.273(3)0.750.05(2)1
0.667(3)-.005(1)0.021(7)0.02(1)1
0.669(1)0.506(1)0.508(7)0.02(1)1
0.106(2)0.398(2)0.750.01(2)1
0.223(1)0.445(2)0.750.01(1)1
0.174(1)0.511(1)0.993(4)0.01(1)1
0.220(2)0.608(1)0.250.001(9)1
0.276(1)0.553(2)0.250.005(9)1
0.66670.33330.750.02(1)1
0.66670.33330.250.030(7)1
0.334(1)0.169(1)0.250.015(3)1
0.3130(7)0.1561(7)0.750.020(3)1
0.0520.1060.250.042(9)0.28
0.0520.1060.250.042(9)0.1
0.0680.1390.250.054(8)0.24
0.0680.1390.250.054(8)0.12
0.0910.1820.250.051(9)0.2
0.0910.1820.250.051(9)0.06
-.0180.0240.250.1(9)0.1667
0.0290.0470.250.1(9)0.1667
0.391(1)0.439(1)0.250.067(6)1
0.587(1)0.414(1)0.250.022(6)1
0.591(2)0.683(2)0.250.07(6)1
0.5290.5470.250.1(6)1

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