Crystallography Open Database

Information card for entry 9016586

Preview

Coordinates	9016586.cif
External links	AMCSD

Structure parameters

Mineral name	Shorl
Formula	Al6.24 B3.09 F0.19 Fe1.939 H3.41 Li0.021 Mg0.7 Na0.96 O30.81 Si5.802 Ti0.208
Calculated formula	Al6.24 B3.09 F0.19 Fe1.9392 H3.41 Li0.021 Mg0.6996 Na0.96 O30.81 Si5.802 Ti0.2082
Title of publication	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Shorl 49356
Authors of publication	Grice, J. D.; Ercit, T. S.
Journal of publication	Neues Jahrbuch fur Mineralogie, Abhandlungen
Year of publication	1993
Journal volume	165
Pages of publication	245 - 266
a	15.99 Å
b	15.99 Å
c	7.195 Å
α	90°
β	90°
γ	120°
Cell volume	1593.16 Å³
Number of distinct elements	11
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283911 (current)	2023-05-21	cif/9/ (saulius@starta) Committing those COD entries from the range 9 that, after automatic atom type and hydrogen count estimation using 'cod-tools' r9581, have their declared and calculated formulae identical for heavy atom counts after rounding to the common precision (with larger differences only allowed for hydrogen atom counts).	9016586.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.	9016586.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.	9016586.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016586.cif