Crystallography Open Database

Information card for entry 9015817

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Structure parameters

Mineral name	Rossmanite
Formula	Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009
Calculated formula	Al8.652 B3.252 Ca0.01 F0.04 Fe0.039 H2.95 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009
Title of publication	Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline
Authors of publication	Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.
Journal of publication	American Mineralogist
Year of publication	2005
Journal volume	90
Pages of publication	481 - 487
a	15.8031 Å
b	15.8031 Å
c	7.0877 Å
α	90°
β	90°
γ	120°
Cell volume	1532.92 Å³
Number of distinct elements	12
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
283866 (current)	2023-05-18	cif/9/ (saulius@tasmanijos-velnias) Commiting those range 9 files that, after automatic atom type determination and manual atom type and hydrogen count fixes, have declared and calculated formulae matching in all atom counts but hydrogen.	9015817.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.	9015817.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.	9015817.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9015817.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015817.cif