Crystallography Open Database

Information card for entry 9016431

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Structure parameters

Formula	Li0.875 Nb0.875 O3 Te0.125
Calculated formula	Li0.875 Nb0.875 O3 Te0.125
Title of publication	Lithium defect and ordering phenomena in the new LiNbO3 like mixed tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) _cod_database_code 1001505
Authors of publication	Archaimbault, F.; Choisnet, J.; Rulmont, A.; Tarte, P.
Journal of publication	Materials Chemistry and Physics
Year of publication	1992
Journal volume	30
Pages of publication	245 - 252
a	5.148 Å
b	5.148 Å
c	13.763 Å
α	90°
β	90°
γ	120°
Cell volume	315.879 Å³
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Duplicate of	1001505
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292100 (current)	2024-05-29	Inserting Z values into entries of range 9 that miss it	9016431.cif
201816	2017-10-06	cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop.	9016431.cif
184280	2016-07-07	cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ \| while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ \| cif_filter -h $(cod-locate ${LINE[1]}) \ \| sponge $(cod-locate ${LINE[1]}); \ done	9016431.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9016431.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9016431.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016431.cif