Crystallography Open Database

Information card for entry 9016483

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Structure parameters

Common name	Phosphorus
Formula	P4
Calculated formula	P4
SMILES	P12P3P1P23
Title of publication	Crystal structure of ordered white phosphorus (β-P) Sample: at T = 158.15 K Note: beta phase; transforms from alpha phase at T = 196.75 K
Authors of publication	Simon, A.; Borrmann, H.; Craubner, H.
Journal of publication	Phosphorus and Sulfur and the Related Elements
Year of publication	1987
Journal volume	30
Pages of publication	507 - 510
a	11.45 Å
b	5.503 Å
c	11.261 Å
α	71.84°
β	90.37°
γ	71.56°
Cell volume	635.231 Å³
Ambient diffraction temperature	158.15 K
Number of distinct elements	1
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Duplicate of	9013110
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264633 (current)	2021-04-28	cif/9/01/ Updated the space group information in entries 9016483, 9013110. Homogenised these duplicate entries to contain the same information.	9016483.cif
264630	2021-04-28	cif/9/01/ Added the _cell_formula_units_Z data item to entries 9016483 and 9013110 after consulting the original publication. Changed the _chemical_formula_sum data item value from 'P' to 'P4' in entry 9016483.	9016483.cif
264583	2021-04-27	cif/9/01/64/ Marking entry 9016483 as duplicate of 9013110.	9016483.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.	9016483.cif
188371	2016-11-10	cif/9/01/64 Correcting a typo in the depositor comment in entry 9016483.	9016483.cif
157795	2015-09-18	cif/9/01/64/ Changing atom labels 'Pl' -> 'P1' and 'P1l' -> 'P1l' -- apparently these labels were OCR artefacts.	9016483.cif
86000	2013-05-09	cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD.	9016483.cif