Research/Sitter/MAGNDATA / 1.145_Mn3Ni20P6.mcif

Mn₃Ni₂₀P₆

MAGNDATA entry 1.145 · 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.

Structure · 10 properties

Magnetic group	C_A m c a BNS 64.480
Point group	mmm1′
Parent space group	F m 3m No. 225
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1] 1k
Cell	a 11.085 · b 11.085 · c 11.085 Å · α 90° · β 90° · γ 90°
Measured at	30 K
Magnetic ions	Mn
Largest moment component	2.4 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_A m c a →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0	0	0	0	2.4	0	2.4
Mn2	Mn	0.25	0.25	0.25
Ni1	Ni	0.3829	0.3829	0.3829
Ni2_1	Ni	0	0.1745	0.1745
Ni2_2	Ni	0.1745	0	0.1745
Ni2_3	Ni	0.1745	0.1745	0
P1_1	P	0.2647	0	0
P1_2	P	0	0.2647	0
P1_3	P	0	0	0.2647

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. Cedervall et al. Journal of Solid State Chemistry (2016) · doi:10.1016/j.jssc.2016.02.028

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.145_Mn3Ni20P6.mcif from MAGNDATA · entry page

sha256 of this copy: 4386795732f455039ef375a36815a519808242d3e864dcd1115d29a3e490b969
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.145_Mn3Ni20P6.mcif.