Crystallography Open Database

Information card for entry 2106856

Preview

Coordinates	2106856.cif

Structure parameters

Chemical name	Ca Na2 (P2 O7) (H2 O)4
Formula	Ca H8 Na2 O11 P2
Calculated formula	Ca H8 Na2 O11 P2
SMILES	[Ca+2].O=P(OP([O-])(=O)[O-])([O-])[O-].[Na+].[Na+].O.O.O.O
Title of publication	Alpha-calcium disodium pyrophosphate tetrahydrate
Authors of publication	Cheng, P.T.; Pritzker, K.P.H.
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1980
Journal volume	36
Pages of publication	921 - 924
a	5.689 Å
b	8.586 Å
c	10.565 Å
α	90°
β	106.3°
γ	90°
Cell volume	495.313 Å³
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
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.	2106856.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.	2106856.cif
161014	2015-10-08	cif/ Adding structures of 2106856 via cif-deposit CGI script.	2106856.cif