Crystallography Open Database

Information card for entry 1000380

Preview

Coordinates	1000380.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Calcium thallium oxide (1.9/2.1/5)
Formula	Ca1.88 O5 Tl2.12
Calculated formula	Ca1.88 O5 Tl2.12
Title of publication	Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3
Authors of publication	Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B
Journal of publication	Journal of Solid State Chemistry
Year of publication	1995
Journal volume	114
Pages of publication	428 - 434
a	3.3431 ± 0.0001 Å
b	11.159 ± 0.001 Å
c	13.499 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	503.6 Å³
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.079
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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