Research/Sitter/MAGNDATA / 0.728_MoP3SiO11.mcif

MoP₃SiO₁₁

MAGNDATA entry 0.728 · 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 ¹3̄¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 6.8 K (−266 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2/c′ BNS 15.88
Point group	2/m′
Parent space group	R 3 c No. 167
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.3952 · b 8.3952 · c 39.869 Å · α 90° · β 90° · γ 120°
Transition	6.8 K (−266 °C)
Measured at	1.5 K
Magnetic ions	Mo
Largest moment component	3.042 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 C 2/c′ →

Atom sites · 17 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mo1	Mo	0	0	0.1592	1.521	3.042	0	2.6344
P1_1	P	0.3712	0.0331	0.1193
P1_2	P	0.9669	0.3381	0.1193
P1_3	P	0.6619	0.6288	0.1193
Si1	Si	0	0	0.4602
O1_1	O	0.2868	0.8178	0.1132
O1_2	O	0.1822	0.469	0.1132
O1_3	O	0.531	0.7132	0.1132
O2_1	O	0.2225	0.0751	0.127
O2_2	O	0.9249	0.1474	0.127
O2_3	O	0.8526	0.7775	0.127
O3_1	O	0.5279	0.1025	0.1435
O3_2	O	0.8975	0.4254	0.1435
O3_3	O	0.5746	0.4721	0.1435
O4_1	O	0.7867	0	0.25
O4_2	O	0	0.7867	0.25
O5	O	0	0	0

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

D. I. Badrtdinov et al. PHYSICAL REVIEW B (2021) · doi:10.1103/PhysRevB.104.094428

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.728_MoP3SiO11.mcif from MAGNDATA · entry page

sha256 of this copy: eace432c8f20d7199dc5c5fc6ce25df7f83a33beffd7709476e2de16249c0844
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.728_MoP3SiO11.mcif.