Crystallography Open Database

Information card for entry 7707077

Preview

Coordinates	7707077.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Barium praseodomium manganese telluride (2-0.667-2-5)
Formula	Ba2 Mn2 Pr0.66 Te5
Calculated formula	Ba2 Mn2 Pr0.6667 Te5
Title of publication	Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure.
Authors of publication	Panigrahi, Gopabandhu; Jana, Subhendu; Ishtiyak, Mohd; Narayanswamy, S.; Bhattacharjee, Pinaki P.; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	19
Pages of publication	6688 - 6701
a	15.268 ± 0.003 Å
b	4.5817 ± 0.0009 Å
c	10.737 ± 0.002 Å
α	90°
β	117.23 ± 0.03°
γ	90°
Cell volume	667.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
266015 (current)	2021-06-05	cif/ Updating files of 7707075, 7707076, 7707077 Original log message: Adding full bibliography for 7707075--7707077.cif.	7707077.cif
263960	2021-04-08	cif/ Adding structures of 7707075, 7707076, 7707077 via cif-deposit CGI script.	7707077.cif