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Information card for entry 1532134
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Coordinates | 1532134.cif |
---|
Chemical name | Na (O H) (H2 O)3.5 |
---|---|
Formula | H8 Na O4.5 |
Calculated formula | H8 Na O4.5 |
SMILES | [OH-].[Na+].O.O.O.O |
Title of publication | Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra |
Authors of publication | Rustad, J.R.; Felmy, A.R.; Bylaska, E.J.; Rosso, K.M. |
Journal of publication | American Mineralogist |
Year of publication | 2003 |
Journal volume | 88 |
Pages of publication | 436 - 449 |
a | 6.567 Å |
b | 12.514 Å |
c | 11.829 Å |
α | 90° |
β | 104.14° |
γ | 90° |
Cell volume | 942.648 Å3 |
Number of distinct elements | 3 |
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 Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176429 (current) | 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. |
1532134.cif |
157774 | 2015-09-18 | cif/ Adding structures of 1532134 via cif-deposit CGI script. |
1532134.cif |
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Users of the data should acknowledge the original authors of the
structural data.