Crystallography Open Database

Information card for entry 2105794

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Structure parameters

Formula	Ba2 Ca0.07 Cu3 O6.85 Y0.93
Calculated formula	Ba2 Ca0.07 Cu3 O6.85 Y0.935
Title of publication	X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers
Authors of publication	Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	236 - 242
a	3.8114 ± 0.0003 Å
b	3.8712 ± 0.0003 Å
c	11.6824 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	172.37 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181876 (current)	2016-04-06	hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57.	2105794.cif 2105794.hkl
180915	2016-04-02	hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57.	2105794.cif 2105794.hkl
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105794.cif 2105794.hkl
108730	2014-04-03	cif/ hkl/ Adding structures of 2105794, 2105795, 2105796 via cif-deposit CGI script.	2105794.cif 2105794.hkl