Crystallography Open Database

Information card for entry 1556758

Preview

Coordinates	1556758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ni Se5 Ta2
Calculated formula	Ni Se5 Ta2
Title of publication	Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.
Authors of publication	Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi
Journal of publication	IUCrJ
Year of publication	2018
Journal volume	5
Journal issue	Pt 2
Pages of publication	158 - 165
a	3.437 ± 0.001 Å
b	5.861 ± 0.001 Å
c	15.512 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	312.48 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	59
Hermann-Mauguin space group symbol	P m n m :2
Hall space group symbol	-P 2c 2a
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.413 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245731 (current)	2019-12-25	cif/ Adding structures of 1556756, 1556757, 1556758, 1556759 via cif-deposit CGI script.	1556758.cif