Research/Sitter/MAGNDATA / 0.435_Pb5Fe3TiO11Cl.mcif

Pb₅Fe₃TiO₁₁Cl

MAGNDATA entry 0.435 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 450 K (177 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_B m m a BNS 51.302
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 7.807 · b 7.807 · c 19.2641 Å · α 90° · β 90° · γ 90°
Transition	450 K (177 °C)
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	2.87 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_B m m a →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pb1	Pb	0.25	0.25	0.0941
Pb2	Pb	0.25	0.25	0.3029
Pb3	Pb	0.25	0.25	0.5
Fe1	Fe	0	0	0.1946	2.87	−2.87	0	4.0588
Ti1	Ti	0	0	0.1946
Fe2	Fe	0	0	0.396	−2.73	2.73	0	3.8608
Ti2	Ti	0	0	0.396
Cl1	Cl	0	0	0
O1	O	0	0.25	0.166
O2	O	0.032	0.25	0.3919
O3	O	0	0	0.2881
O4	O	0	0	0.5

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

M. Batuk et al. Journal of Solid State Chemistry (2014) · doi:10.1016/j.jssc.2014.04.002

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.435_Pb5Fe3TiO11Cl.mcif from MAGNDATA · entry page

sha256 of this copy: 9161d4e40b70da83147c45c0accc3c239501d66c4991c91e5ebba73287cfe0cb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.435_Pb5Fe3TiO11Cl.mcif.