Crystallography Open Database

Information card for entry 1000378

Preview

Coordinates	1000378.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Copper indium hexathiodiphosphate(IV) (1/1/1)
Formula	Cu0.975 In P2 S6
Calculated formula	Cu0.975 In P2 S6
Title of publication	Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6
Authors of publication	Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P
Journal of publication	Journal of Alloys Compd.
Year of publication	1995
Journal volume	218
Pages of publication	157 - 164
a	6.0956 ± 0.0004 Å
b	10.5645 ± 0.0006 Å
c	13.623 ± 0.0008 Å
α	90°
β	107.101 ± 0.003°
γ	90°
Cell volume	838.5 Å³
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.051
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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