Crystallography Open Database

Information card for entry 2106501

Preview

Coordinates	2106501.cif

Structure parameters

Chemical name	K3 Na P2 O7 (H2 O)4
Formula	H8 K3 Na O11 P2
Calculated formula	H8 K3 Na O11 P2
SMILES	[K+].[K+].[K+].[Na+].O.O.O=P([O-])([O-])OP(=O)([O-])[O-].O.O
Title of publication	Structure cristalline du pyrophosphate double de potassium et de sodium tetrahydrate: K3 Na P2 O7 (H2 O)4
Authors of publication	Dumas, Y.; Escande, A.; Gligne, J.L.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1978
Journal volume	34
Pages of publication	710 - 715
a	5.681 Å
b	11.993 Å
c	17.509 Å
α	90°
β	92.54°
γ	90°
Cell volume	1191.76 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194538 (current)	2017-03-27	cif/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000249, 2000272, 2000700, 2000859, 2000860, 2001068, 2001182, 2005497, 2006186, 2006499, 2006795, 2007335, 2009895, 2009997, 2010189, 2010462, 2010463, 2011359, 2012799, 2013158, 2014024, 2015681, 2016172, 2020133, 2020169, 2020170, 2020234, 2100035, 2100877, 2101761, 2103178, 2104511, 2105433, 2106054, 2106222, 2106501, 2106753, 2106856, 2107017, 2200258, 2200845, 2201708, 2201849, 2202298, 2207699, 2208136, 2212179, 2215257, 2217316, 2217868, 2239331, 2300000, 2310439.	2106501.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2106501.cif
150700	2015-07-13	cif/ Adding structures of 2106501 via cif-deposit CGI script.	2106501.cif