Research/Sitter/MAGNDATA / 1.847_PrCaFeO4.mcif

Pr₁Ca₁Fe₁O₄

MAGNDATA entry 1.847 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered > 330 K (57 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_A c c n BNS 56.374
Point group	mmm1′
Parent space group	C m c e No. 64
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 5.4344 · b 5.4824 · c 12.1318 Å · α 90° · β 90° · γ 90°
Transition	>330 K (57 °C)
Measured at	293 K
Magnetic ions	Fe
Largest moment component	1.7 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 c c n →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Pr1	Pr	0	0.01	0.3577
Ca1	Ca	0	0.01	0.3577
Fe1	Fe	0	0	0	0	1.7	0	1.7
O1	O	0.25	0.25	0.0131
O2	O	0	0.9529	0.1728

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

N. Qureshi et al. PHYSICAL REVIEW B (2015) · doi:10.1103/PhysRevB.91.224402

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.847_PrCaFeO4.mcif from MAGNDATA · entry page

sha256 of this copy: 0e864920c581f66c8d678100d1efa8ccfa47c519a11ddd0e3c375934924a3024
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.847_PrCaFeO4.mcif.

Pr1Ca1Fe1O4

Symmetry

Source

Original file

Pr₁Ca₁Fe₁O₄