Crystallography Open Database

Information card for entry 9015742

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Coordinates	9015742.cif
External links	AMCSD

Structure parameters

Chemical name	Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))
Formula	Ba2 Ca H6 O16 P4
Calculated formula	Ba2 Ca O16 P4
Title of publication	Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure
Authors of publication	Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1997
Journal volume	34
Pages of publication	1249 - 1257
a	12.3872 ± 0.0002 Å
b	10.2046 ± 0.0001 Å
c	5.4946 ± 0.0001 Å
α	90°
β	100.767 ± 0.001°
γ	90°
Cell volume	682.3 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.04
Duplicate of	1000440
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201816 (current)	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.	9015742.cif
200143	2017-09-03	cif/ (antanas@kurmis) Marking entry 9015742 as a duplicate of entry 1000440.	9015742.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.	9015742.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9015742.cif