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1 matching records for this search.

Mordenite

Simoncic P, Armbruster T

American Mineralogist 89 (2004) 421-431

Peculiarity and defect structure of the natural and synthetic zeolite mordenite:

A single-crystal X-ray study

Sample: natural

_database_code_amcsd 0003443

18.096 20.473 7.515 90 90 90 Cmc2_1

atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

K(12MRc) 0 .188 .782 .24 6.7

Ca(8MRc) 0 1/2 1/2 .466 4.89 .056 .065 .065 0 0 -.037

Na1a(12MRc) 0 -.0221 .267 .24 3.4

Na1b(12MRc) 0 -.021 .166 .10 2.4

Na2a(12MRc) 0 .152 .691 .24 7.9

Na2b(12MRc) 0 .130 .536 .11 6.5

SiT1 .30126 .07249 .0419 .814 1.18 .0192 .0154 .0103 .0018 .0018 .0008

SiT1' -.30126 -.07249 -.0419 .814 1.18 .0192 .0154 .0103 .0018 .0018 .0008

SiT2 .30343 .30905 .0457 .814 1.32 .0208 .0172 .0121 .0037 .0012 -.0013

SiT2' -.30343 -.30905 -.0457 .814 1.32 .0208 .0172 .0121 .0037 .0012 -.0013

SiT3 .08719 .38323 .25 .814 1.07 .0117 .0158 .0132 -.0017 0 0

SiT4 .08636 .22720 .25 .814 1.14 .0119 .0162 .0153 .0013 0 0

AlT1 .30126 .07249 .0419 .159 1.18 .0192 .0154 .0103 .0018 .0018 .0008

AlT1' -.30126 -.07249 -.0419 .159 1.18 .0192 .0154 .0103 .0018 .0018 .0008

AlT2 .30343 .30905 .0457 .159 1.32 .0208 .0172 .0121 .0037 .0012 -.0013

AlT2' -.30343 -.30905 -.0457 .159 1.32 .0208 .0172 .0121 .0037 .0012 -.0013

AlT3 .08719 .38323 .25 .159 1.07 .0117 .0158 .0132 -.0017 0 0

AlT4 .08636 .22720 .25 .159 1.14 .0119 .0162 .0153 .0013 0 0

SiT1B .30126 .07249 -.0419 .023 2.37

SiT1B' -.30126 -.07249 .0419 .023 2.37

SiT2B -.30343 -.30905 .0457 .023 2.37

SiT2B' .30343 .30905 -.0457 .023 2.37

SiT3B .08719 .38323 3/4 .023 2.37

SiT4B .08636 .22720 3/4 .023 2.37

AlT1B .30126 .07249 -.0419 .004 2.37

AlT1B' -.30126 -.07249 .0419 .004 2.37

AlT2B -.30343 -.30905 .0457 .004 2.37

AlT2B' .30343 .30905 -.0457 .004 2.37

AlT3B .08719 .38323 3/4 .004 2.37

AlT4B .08636 .22720 3/4 .004 2.37

O1 .1239 .4161 .4290 .973 2.83 .030 .055 .023 -.007 -.008 -.006

O1' -.1239 -.4161 -.4290 .973 2.83 .030 .055 .023 -.007 -.008 -.006

O2 .1228 .1941 .4268 .973 2.91 .032 .051 .028 .000 -.009 .010

O2' -.1228 -.1941 -.4268 .973 2.91 .032 .051 .028 .000 -.009 .010

O3 .2372 .1227 .9858 .973 3.54 .052 .035 .047 .021 -.006 .005

O3' -.2372 -.1227 -.9858 .973 3.54 .052 .035 .047 .021 -.006 .005

O4 .0976 .3048 .232 .973 2.7 .036 .019 .048 -.002 .011 .001

O5 .1698 .1949 3/4 .973 3.33 .052 .057 .016 .017 -.020 .008

O6 .1777 .4203 3/4 .973 2.65 .045 .042 .013 -.008 0 0

O7 .2686 0 0 .973 2.42 .033 .021 .038 0 0 -.005

O8a .2401 .2597 .529 .25 1.7

O8b -.2401 -.2597 -.529 .25 1.7

O8b .245 .251 .475 .25 1.7

O8d -.245 -.251 -.475 .25 1.7

O9 0 .4058 .25 .973 2.13 .015 .030 .036 0 0 -.01

O10 0 .2054 .25 .973 2.50 .019 .029 .047 0 0 0