Crystallography Open Database

Information card for entry 9016083

Preview

Coordinates	9016083.cif
External links	AMCSD

Structure parameters

Mineral name	Dravite
Formula	Al5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05
Calculated formula	Al5.4702 B3.1698 Ca0.18 Fe1.6701 H3.6 Mg1.8603 Na0.77 O31 Si5.7798 Ti0.0498
Title of publication	Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167
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	15.96 Å
b	15.96 Å
c	7.238 Å
α	90°
β	90°
γ	120°
Cell volume	1596.67 Å³
Number of distinct elements	10
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
285095 (current)	2023-07-08	cif/9/ (saulius@tasmanijos-velnias) Adding those range 9 entries for which heavy atom counts in the calculated and declared chemical formulae match, possibly after rounding and after insertion of the _cell_formula_units_Z data item. All matches checked manually.	9016083.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.	9016083.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.	9016083.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016083.cif