Crystallography Open Database

Information card for entry 2312328

Preview

Coordinates	2312328.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	Saddlebackite 7.11 layer
Formula	Bi4 Pb4 S6 Te4
Calculated formula	Bi2 Pb2 S3 Te2
Title of publication	Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Authors of publication	Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2023
Journal volume	79
Journal issue	6
Pages of publication	482 - 494
a	4.26052 Å
b	4.26052 Å
c	33.81797 Å
α	90°
β	90°
γ	120°
Cell volume	531.623 Å³
Cell temperature	0 K
Ambient diffraction temperature	0 K
Cell measurement pressure	0 kPa
Ambient diffracton pressure	0 kPa
Number of distinct elements	4
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312328.html