Crystallography Open Database

Information card for entry 1001485

Preview

Coordinates	1001485.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Thallium(III) barium calcium neodymium copper oxide (0.95/2/0.5/0.5/2/6.86)
Formula	Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95
Calculated formula	Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.948
Title of publication	Neutron diffraction structure determination of the "1212"-series TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~
Authors of publication	Michel, C; Suard, E; Caignaert, V; Martin, C; Maignan, A; Hervieu, M; Raveau, B
Journal of publication	Physica C (Amsterdam) (152,1988-)
Year of publication	1991
Journal volume	178
Pages of publication	29 - 36
a	3.87677 ± 0.00005 Å
b	3.87677 ± 0.00005 Å
c	12.6045 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	189.4 Å³
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.046
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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