Crystallography Open Database

Information card for entry 2003097

2003096 << 2003097 >> 2003098

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Coordinates	2003097.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ca15 I O37 P9
Calculated formula	Ca15 I1.048 O36.98 P9
Title of publication	Iodo-oxyapatite, the first example from a new class of modulated apatites
Authors of publication	Alberius Henning, Peter; Lidin, Sven; Petříček, Vačlav
Journal of publication	Acta Crystallographica Section B
Year of publication	1999
Journal volume	55
Journal issue	2
Pages of publication	165 - 169
a	9.567 ± 0.001 Å
b	9.567 ± 0.001 Å
c	20.754 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1645.1 ± 0.3 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for all reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0459
Goodness-of-fit parameter for all reflections	1.01
Goodness-of-fit parameter for significantly intense reflections	1.29
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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