Research/Sitter/MAGNDATA / 1.351_Ba2Co2F7Cl.mcif

Ba₂Co₂F₇Cl

MAGNDATA entry 1.351 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 83 K (−190 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_a 2₁/m BNS 11.55
Parent space group	P 2₁/m No. 11
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 0] 1k
Cell	a 15.332 · b 5.781 · c 8.932 Å · α 90° · β 107.03° · γ 90°
Transition	83 K (−190 °C)
Measured at	4.2 K
Magnetic ions	Co
Largest moment component	3.79 μ_B
Method	NPD

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P_a 2₁/m →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0.1651	0.25	0.5872
Ba2	Ba	0.1512	0.25	0.0742
Co1	Co	0.413	0.25	0.7339	0	3.79	0	3.79
Co2	Co	0.4091	0.25	0.1746	0	−3.79	0	3.79
Cl1	Cl	0.4409	0.25	0.4693
F1	F	0.315	0.0061	0.1604
F2	F	0.0023	0.0013	0.8279
F3	F	0.319	0.0037	0.6544
F4	F	0.3733	0.25	0.9341

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

J. Fompeyrine et al. JOURNAL OF SOLID STATE CHEMISTRY (1997) · doi:10.1006/jssc.1997.7352

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.351_Ba2Co2F7Cl.mcif from MAGNDATA · entry page

sha256 of this copy: a93d9d6cf564bb600aef5ea5704f8b9e57869f94b6057e16f286169453497961
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.351_Ba2Co2F7Cl.mcif.