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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=66457 Help
TitleStepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, U.S.A.: A single-crystal x-ray study at 100K.
AuthorsArmbruster, T.;Gunter, M.E.
ReferenceAmerican Mineralogist (1991) 76, 1872-1883
Link XRef SCOPUS SCIRUS Google
CompoundH51.04 Al8.16 Ca1.88 K0.28 Mg0.08 Na4 O97.52 Si27.84 - [Clinoptilolite] Calcium magnesium sodium potassium tecto-alumosilicate hydrate * [AB7C14D129X348] [mS191] [j16 i9 h g d c] []
Cell17.640(2), 17.9400(20), 7.405(3), 90., 116.53(3), 90.
C12/M1 (12) V=2096.64
RemarksR=0.035600 : MIN =Clinoptilolite : PDF =39-1383 : TEM =100 : DEF
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.
Mean T-O: 1.629, 1.656, 1.627, 1.621, 1.623

Atom (site) Oxid. x, y, z, B, Occupancy
Al1(8j)3
Si1(8j)4
Al2(8j)3
Si2(8j)4
Al3(8j)3
Si3(8j)4
Al4(8j)3
Si4(8j)4
Al5(4g)3
Si5(4g)4
O1(4i)-2
O2(8j)-2
O3(8j)-2
O4(8j)-2
O5(4h)-2
O6(8j)-2
O7(8j)-2
O8(8j)-2
O9(8j)-2
O10(8j)-2
Na1(4i)1
Ca1(4i)2
Ca2(4i)2
K1(4i)1
Mg1(2c)2
O11(4i)-2
O12(4i)-2
O13(8j)-2
O14(2d)-2
O15(8j)-2
O16(4i)-2
O17(8j)-2
O18(8j)-2
O19(4i)-2
H1(8j)1
0.1796(1)0.1703(1)0.0941(1)00.21
0.1796(1)0.1703(1)0.0941(1)00.79
0.2884(1)0.0899(1)0.5006(1)00.39
0.2884(1)0.0899(1)0.5006(1)00.61
0.2926(1)0.3096(1)0.2848(1)00.18
0.2926(1)0.3096(1)0.2848(1)00.82
0.0642(1)0.2990(1)0.4097(1)00.16
0.0642(1)0.2990(1)0.4097(1)00.84
00.2139(1)000.16
00.2139(1)000.84
0.3039(2)00.5437(6)01
0.2307(2)0.1198(2)0.6116(4)01
0.1818(2)0.1550(2)-.1170(4)01
0.2390(2)0.1073(1)0.2541(4)01
00.3268(2)0.501
0.0823(1)0.1599(1)0.0666(4)01
0.3735(2)0.2655(2)0.4534(4)01
0.0072(2)0.2672(2)0.1833(4)01
0.2110(1)0.2542(1)0.1787(4)01
0.1155(2)0.3723(1)0.3963(4)01
0.1543(2)00.6688(4)01
0.4592(2)00.804(1)00.37(2)
0.466(2)00.739(7)4.2(7)0.10(2)
0.743(1)00.072(3)1.6(4)0.07
000.53.95(4)0.04(1)
0.2237(5)0.5-.001(1)01.
0.0841(9)00.875(4)00.60(3)
0.0778(2)0.4196(2)0.9672(6)01.
00.50.501.
-.0262(7)0.0899(7)0.508(3)00.40(1)
0.0941(6)00.272(2)00.69(2)
0.423(2)0.458(2)0.645(5)7.27(7)0.19(2)
0.058(2)0.042(2)0.705(4)00.15(1)
0.045(3)00.085(7)3.950.11(1)
06.38
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Al1(8j)3
Si1(8j)4
Al2(8j)3
Si2(8j)4
Al3(8j)3
Si3(8j)4
Al4(8j)3
Si4(8j)4
Al5(4g)3
Si5(4g)4
O1(4i)-2
O2(8j)-2
O3(8j)-2
O4(8j)-2
O5(4h)-2
O6(8j)-2
O7(8j)-2
O8(8j)-2
O9(8j)-2
O10(8j)-2
Na1(4i)1
Ca1(4i)2
Ca2(4i)2
K1(4i)1
Mg1(2c)2
O11(4i)-2
O12(4i)-2
O13(8j)-2
O14(2d)-2
O15(8j)-2
O16(4i)-2
O17(8j)-2
O18(8j)-2
O19(4i)-2
H1(8j)1
0.0073(4)0.0160(5)0.0082(4)-.0003(4)0.0045(3)0.0013(4)
0.0073(4)0.0160(5)0.0082(4)-.0003(4)0.0045(3)0.0013(4)
0.0100(4)0.0126(5)0.0097(4)0.0006(4)0.0050(4)0.0002(4)
0.0100(4)0.0126(5)0.0097(4)0.0006(4)0.0050(4)0.0002(4)
0.0098(4)0.0145(5)0.0082(4)0.0005(4)0.0057(3)0.0004(4)
0.0098(4)0.0145(5)0.0082(4)0.0005(4)0.0057(3)0.0004(4)
0.0089(4)0.0160(5)0.0086(4)-.0007(4)0.0045(3)-.0003(4)
0.0089(4)0.0160(5)0.0086(4)-.0007(4)0.0045(3)-.0003(4)
0.0076(6)0.0168(7)0.0093(6)00.0037(5)0
0.0076(6)0.0168(7)0.0093(6)00.0037(5)0
0.033(2)0.019(2)0.021(2)00.008(2)0
0.024(1)0.031(2)0.024(1)-.002(1)0.017(1)-.007(1)
0.034(2)0.030(2)0.021(1)-.006(1)0.021(1)-.003(1)
0.021(1)0.027(1)0.018(1)0.007(1)0.007(1)0.002(1)
0.028(2)0.033(2)0.030(2)00.023(2)0
0.011(1)0.023(1)0.021(1)0.0(1)0.007(1)0.002(1)
0.027(2)0.033(2)0.026(2)0.010(1)0.004(1)0.008(1)
0.018(1)0.033(2)0.021(1)-.001(1)0.007(1)-.011(1)
0.016(1)0.022(1)0.027(1)-.004(1)0.012(1)-.006(1)
0.021(1)0.025(1)0.025(1)-.006(1)0.010(1)-.002(1)
0.096(3)0.029(2)0.039(2)00.026(2)0
0.011(2)0.029(2)0.022(4)00.002(2)0
000000
000000
000000
0.066(5)0.030(3)0.062(5)00.045(4)0
0.08(1)0.06(1)0.25(3)00.02(1)0
0.051(2)0.065(3)0.045(2)0.005(2)0.008(2)-.010(2)
0.050(5)0.029(4)0.127(9)00.024(5)0
0.059(9)0.072(8)0.15(1)00.02(1)0
0.072(7)0.083(9)0.085(8)00.045(6)0
000000
0.06(2)0.04(2)0.07(2)00.03(1)0
000000
000000

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