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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=81390 Help
TitleThe crystal structure of gottardiite, a new natural zeolite.
AuthorsAlberti, A.;Vezzalini, G.;Galli, E.;Quartieri, S.
ReferenceEuropean Journal of Mineralogy (1996) 8, 69-75
Link XRef SCOPUS SCIRUS Google
CompoundH186 Al20.4 Ca4.9 K0.2 Mg3.1 Na2.5 O365 Si115.6 - [Gottardiite] Sodium potassium magnesium calcium tecto-alumosilicate hydrate * [] [oS698] [g25 f18 e3 d] []
Cell13.698(2), 25.213(3), 22.6600(20), 90., 90., 90.
CMCA (64) V=7826.03
RemarksR=0.120000 : DEF MIN =Gottardiite : PDF =48-1814 :
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.
Deviation of the charge sum from zero tolerable.
The positions O23 to O34 were refined as pure H2O, but contain some cations too. Mean T-O: 1.60, 1.61, 1.61, 1.57, 1.60, 1.62, 1.59, 1.64, 1.65, 1.58, 1.64

Atom (site) Oxid. x, y, z, B, Occupancy
Al1(8f)3
Si1(8f)4
Al2(8f)3
Si2(8f)4
Al3(8f)3
Si3(8f)4
Al4(8f)3
Si4(8f)4
Al5(8f)3
Si5(8f)4
Al6(16g)3
Si6(16g)4
Al7(16g)3
Si7(16g)4
Al8(16g)3
Si8(16g)4
Al9(16g)3
Si9(16g)4
Al10(16g)3
Si10(16g)4
Al11(16g)3
Si11(16g)4
O1(8f)-2
O2(16g)-2
O3(8f)-2
O4(16g)-2
O5(8f)-2
O6(16g)-2
O7(8f)-2
O8(16g)-2
O9(8f)-2
O10(16g)-2
O11(16g)-2
O12(16g)-2
O13(16g)-2
O14(16g)-2
O15(16g)-2
O16(8e)-2
O17(16g)-2
O18(8e)-2
O19(8e)-2
O20(8f)-2
O21(8d)-2
O22(16g)-2
O23(8f)-2
O24(8f)-2
O25(8f)-2
O26(8f)-2
O27(16g)-2
O28(16g)-2
O29(8f)-2
O30(16g)-2
O31(8f)-2
O32(16g)-2
O33(16g)-2
O34(8f)-2
O35(16g)-2
H1(16g)1
Na1(16g)1
K1(16g)1
Mg1(16g)2
Ca1(16g)2
00.0804(2)0.1973(3)00.15
00.0804(2)0.1973(3)00.85
00.1784(2)0.2828(3)00.15
00.1784(2)0.2828(3)00.85
00.2884(2)0.2204(3)00.15
00.2884(2)0.2204(3)00.85
00.3841(3)0.3023(3)00.15
00.3841(3)0.3023(3)00.85
00.4818(2)0.2235(3)00.15
00.4818(2)0.2235(3)00.85
0.2102(3)0.0023(2)0.3160(2)00.15
0.2102(3)0.0023(2)0.3160(2)00.85
0.1934(5)0.0978(1)0.1253(2)00.15
0.1934(5)0.0978(1)0.1253(2)00.85
0.2122(4)0.1948(2)0.3174(2)00.15
0.2122(4)0.1948(2)0.3174(2)00.85
0.2143(4)0.3111(2)0.1846(2)00.15
0.2143(4)0.3111(2)0.1846(2)00.85
0.1873(5)0.4049(1)0.3752(2)00.15
0.1873(5)0.4049(1)0.3752(2)00.85
0.1151(3)0.0634(1)0.0009(2)00.15
0.1151(3)0.0634(1)0.0009(2)00.85
00.0208(6)0.2214(9)01
0.0969(17)0.0897(7)0.1594(12)01
00.1213(7)0.2499(9)01
0.0955(11)0.1833(6)0.3238(6)01
00.2249(6)0.2361(9)01
0.0928(11)0.3040(6)0.1810(6)01
00.3225(6)0.2802(7)01
0.0840(19)0.3950(8)0.3443(10)01
00.4225(7)0.2462(10)01
0.0928(8)0.4920(7)0.1818(5)01
0.2280(11)0.1576(5)0.1350(7)01
0.2242(11)0.0598(5)0.3504(7)01
0.2381(14)0.4586(5)0.3559(8)01
0.1754(12)0.0893(6)0.0555(6)01
0.2329(12)0.2564(5)0.3357(5)01
0.250.1829(6)0.2501
0.2381(10)0.3553(5)0.1332(6)01
0.250.3290(6)0.2501
0.250.0050(16)0.2501
00.0807(5)0.0048(10)01
0.1276(10)0001
0.1627(19)0.4084(6)0.4406(8)01
00.386(1)0.999(2)1.7(5)0.48(3)
00.183(1)0.430(1)4.6(6)0.77(5)
00.263(2)0.996(3)3.9(8)0.45(3)
00.081(2)0.404(2)6.50(12)0.64(6)
0.067(4)0.281(2)0.421(2)9.10(11)0.59(4)
0.121(4)0.458(2)0.019(2)3.90(13)0.24(3)
00.192(3)0.071(3)11.00(23)0.57(7)
0.151(3)0.349(2)0.994(3)6.60(11)0.40(3)
00.390(2)0.103(3)8.90(16)0.63(8)
0.120(4)0.268(2)0.558(2)9.40(13)0.56(4)
0.193(6)0.271(3)0.473(4)12.3(2)0.36(4)
00.301(3)0.064(3)8.90(22)0.51(8)
01.638
011.625
00.1562
00.0125
00.1937
00.3062
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Al1(8f)3
Si1(8f)4
Al2(8f)3
Si2(8f)4
Al3(8f)3
Si3(8f)4
Al4(8f)3
Si4(8f)4
Al5(8f)3
Si5(8f)4
Al6(16g)3
Si6(16g)4
Al7(16g)3
Si7(16g)4
Al8(16g)3
Si8(16g)4
Al9(16g)3
Si9(16g)4
Al10(16g)3
Si10(16g)4
Al11(16g)3
Si11(16g)4
O1(8f)-2
O2(16g)-2
O3(8f)-2
O4(16g)-2
O5(8f)-2
O6(16g)-2
O7(8f)-2
O8(16g)-2
O9(8f)-2
O10(16g)-2
O11(16g)-2
O12(16g)-2
O13(16g)-2
O14(16g)-2
O15(16g)-2
O16(8e)-2
O17(16g)-2
O18(8e)-2
O19(8e)-2
O20(8f)-2
O21(8d)-2
O22(16g)-2
O23(8f)-2
O24(8f)-2
O25(8f)-2
O26(8f)-2
O27(16g)-2
O28(16g)-2
O29(8f)-2
O30(16g)-2
O31(8f)-2
O32(16g)-2
O33(16g)-2
O34(8f)-2
O35(16g)-2
H1(16g)1
Na1(16g)1
K1(16g)1
Mg1(16g)2
Ca1(16g)2
0.013(3)0.013(3)0.019(3)000.002(2)
0.013(3)0.013(3)0.019(3)000.002(2)
0.014(3)0.021(3)0.021(3)000.004(2)
0.014(3)0.021(3)0.021(3)000.004(2)
0.021(4)0.015(3)0.017(3)000.003(2)
0.021(4)0.015(3)0.017(3)000.003(2)
0.012(3)0.022(3)0.017(3)000.007(3)
0.012(3)0.022(3)0.017(3)000.007(3)
0.030(4)0.015(3)0.015(3)000.004(2)
0.030(4)0.015(3)0.015(3)000.004(2)
0.020(2)0.030(2)0.024(2)0.001(3)-.005(2)0.004(3)
0.020(2)0.030(2)0.024(2)0.001(3)-.005(2)0.004(3)
0.014(3)0.019(3)0.018(3)-.005(2)0.006(2)-.003(2)
0.014(3)0.019(3)0.018(3)-.005(2)0.006(2)-.003(2)
0.011(3)0.014(2)0.017(2)0.001(2)-.004(2)0.001(2)
0.011(3)0.014(2)0.017(2)0.001(2)-.004(2)0.001(2)
0.018(3)0.012(2)0.020(3)-.005(2)0.001(2)0.001(2)
0.018(3)0.012(2)0.020(3)-.005(2)0.001(2)0.001(2)
0.015(3)0.015(2)0.015(3)0.002(2)0.004(2)-.004(2)
0.015(3)0.015(2)0.015(3)0.002(2)0.004(2)-.004(2)
0.025(2)0.019(2)0.014(1)-.007(1)0.005(3)-.004(2)
0.025(2)0.019(2)0.014(1)-.007(1)0.005(3)-.004(2)
0.088(16)0.015(8)0.046(11)00-.004(8)
0.025(9)0.084(12)0.113(19)0.002(9)0.049(11)0.009(11)
0.075(14)0.041(11)0.027(9)00-.015(9)
0.020(8)0.059(8)0.021(6)-.001(6)0.001(6)-.012(5)
0.046(11)0.012(7)0.060(14)00-.014(8)
0.017(8)0.054(8)0.038(8)0.008(6)0.007(6)0.010(6)
0.055(12)0.017(8)0.024(9)00-.003(7)
0.050(13)0.110(15)0.082(14)-.001(9)-.044(11)-.041(10)
0.205(31)0.008(8)0.036(11)00-.016(9)
0.033(6)0.076(11)0.033(6)0.003(8)0.010(5)-.006(8)
0.027(7)0.038(7)0.036(8)-.002(6)-.007(6)-.006(5)
0.042(8)0.027(6)0.068(10)-.003(6)-.009(8)0.005(7)
0.094(14)0.032(7)0.098(13)-.012(8)0.073(11)0.014(8)
0.026(7)0.079(9)0.009(6)-.010(7)-.001(5)-.014(6)
0.055(11)0.028(6)0.037(6)-.015(7)0.003(7)-.004(6)
0.037(10)0.031(9)0.009(8)00.004(8)0
0.049(10)0.036(6)0.021(6)-.031(6)-.016(6)0.012(5)
0.029(9)0.017(7)0.026(9)00.003(8)0
0.033(9)0.146(22)0.036(9)00.003(8)0
0.036(8)0.029(7)0.042(10)00-.003(10)
0.033(8)0.021(7)0.07(1)00-.005(10)
0.102(17)0.058(9)0.043(10)0.05(1)0.025(10)0.004(7)
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