Crystallography Open Database

Information card for entry 4322547

Preview

Coordinates	4322547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca2 Fe0.5 H4 In0.5 O13 P3
Calculated formula	Ca2 Fe0.537 H4 In0.463 O13 P3
Title of publication	Synthesis, Crystal Structure, NMR Studies, and Thermal Stability of Mixed Iron-Indium Phosphates with Quasi-One-Dimensional Frameworks
Authors of publication	X. Tang; A. Jones; A. Lachgar; B. J. Gross; J. L. Yarger
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	6032 - 6038
a	7.548 ± 0.002 Å
b	15.67 ± 0.003 Å
c	9.241 ± 0.002 Å
α	90°
β	113.62 ± 0.03°
γ	90°
Cell volume	1001.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322547.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322547.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322547.cif
20858	2011-06-14	../uploads/cif-deposit/cod/cif Adding structures of 4322547 via cif-deposit CGI script.	4322547.cif