Crystallography Open Database

Information card for entry 1561067

Preview

Coordinates	1561067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba0.72 Br Eu1.28 P7
Calculated formula	Ba0.722 Br Eu1.278 P7
Title of publication	Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters
Authors of publication	Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	263
Pages of publication	195 - 202
a	9.8547 ± 0.0005 Å
b	9.8547 ± 0.0005 Å
c	9.8547 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	957.04 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0299
Weighted residual factors for all reflections included in the refinement	0.0305
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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