Crystallography Open Database

Information card for entry 9016053

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Structure parameters

Mineral name	Thaumasite
Formula	C0.5 Ca3 O25 S1.27 Si
Calculated formula	C0.5 Ca3 O21 Os4 S1.27 Si
Title of publication	The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal
Authors of publication	Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.
Journal of publication	Mineralogical Magazine
Year of publication	2012
Journal volume	76
Pages of publication	1133 - 1152
a	11.07 Å
b	11.07 Å
c	10.4397 Å
α	90°
β	90°
γ	120°
Cell volume	1107.93 Å³
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
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	9016053.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.	9016053.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.	9016053.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9016053.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016053.cif