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Problematic zeolite records and bibliogr

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Problematic zeolite records and bibliogr

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr b. 1.1. Vaisman, X Li and E. Blaisten-BarojasComputational Materials Science Center, George Mason University, MSN 6A2, Fairfax, Virginia 22030(August

27, 2009)AbstractIII this work wc provide a list of 20« crystal entries in die Inorganic Crystal Structure Database (ICSD) that have errors, incomplet Problematic zeolite records and bibliogr

e information, or arc given a generic name of zeolite when they may belong to a different family of crystals. We also plovide a table containing die 1

Problematic zeolite records and bibliogr

CSD code number of 1473 zeolite entties and the correspondence to the original bibliographic refeience.1 Database entries with problemsThe Inorganic C

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr family of zeolites our group discovered that there are 200 records corresponding to crystals containing incomplete 01 inaccurate information. Twenty

of these crystal entiles aie listed in the database with non-standard space group notation (with centered enlarged unit cells) as listed in Table 1. A Problematic zeolite records and bibliogr

dditionally, the ICSD contains 24 entries with minor errors, which we believe can be corrected as indicated in Table 2. However, our proposed correcti

Problematic zeolite records and bibliogr

ons require expeit review from the organizations maintaining and producing the ICSD.The ICSD has 98 crystals that are referred to with the generic nam

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr them in order to be usefill to the community of scientists working with zeolites. The list IS included in Table 3. Crystals are recognized to belong

to the family of zeolites if a framework ty pe code[2]can be assigned. In our studies [3. 4. 5. 6. 7. 8] we could not assign a framework type to 58 cr Problematic zeolite records and bibliogr

ystals that are named "zeolites" in the ICSD records. These entries are given in Table 4.In previous machine learning studies (3. 4. 5. 6. 7. 8] a dat

Problematic zeolite records and bibliogr

aset of 1473 zeolite entiles from the ICSD were used, and in Ref 4 the framework type was assigned and confirmed for 1436 of them. In these works the

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr at originated the database entry. This table should be usefill to researchers that do not have access to the ICSD.2 ConclusionsFindings contained in T

ables 1-4 have been communicated on August 26. 2008 to the producers of the ICSD at the National Institute of Standaids and Technology for inclusion 1 Problematic zeolite records and bibliogr

11 the database. Table 5 provides a strict correspondence between the original bibliographic reference and the code number assigned to that entry by t

Problematic zeolite records and bibliogr

he ICSD producers.AcknowledgmentsThis work was supported under the National Science Foundation grant CHE-0626111. Authors gratefully acknowledge the S

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr ganic Crystal Structure Database (ICSD). http://www.nist.gov/srd/nist84.htrn. (2007).[2]IZA-SC database of ideal zeolite structures. http://www.iza-st

nicmre.org/databases, 2009.[3]Carr. D. A.; Lach-hab. M; Yang, s.; Vaisman. 1.1.: Blaisten-Barojas, E. Micropor. Mesopor Mater. 2009 117. 339-349.[4]La Problematic zeolite records and bibliogr

ch-hab. M.. Yang. s.. Vaisinan. 1.1.. Blaisten-Barojas, E.. Li. X. Karen. V. L. “Framework Type Determination for Zeolite Crystals in the Inorganic Cr

Problematic zeolite records and bibliogr

ystal Structure Database,” submitted to JPCRD, 2009.[5]Yang, s.; Lach-hab. M.; Vaisman. 1.L; Blaisten-Barojas. E. Proceedings of 2008 Inter. Conf.Data

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr as. E. LNCS 2009. 5545. 160-168.[7]Yang. S.; Lach-hab. M.. Vaisman. 1.1.. Blaisten-Barojas, E. Proc. 2009 Inter. Conf. .Artificial Intelligence. Arabn

ia. H. R ; de la Fuente. D.: Olivas. J. A.. Eds.; CSREA: Las Vegas. NW 2009. p 340-344.[8]Yang, s.; Lach-hab. M.; Vaisman. 1.1.; Blaisten-Barojas. E. Problematic zeolite records and bibliogr

J. Phys. Chem. c. in press. 2009.Page 2Table 1. Twenty crystals reported in the ICSD with a non-standard space group notation.Space groupICSD#c 182770

Problematic zeolite records and bibliogr

c-l88921.151181Fl 1 283008. 83009.8.3010, 83011,83012. 31219. 81101Cl 1 21 I- 1 d 1 B 1 21/d 1 r 1 2 m 173.36-1, 81392 172122,51890. .30801. 50060. 59

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

Problematic zeolite records and bibliogr A GaGaZSi have different coordinates

Problematic zeolite records and bibliographic reference link for normal zeolite records in the Inorganic Crystal Structure Databases Yang. M. Lach-hab

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