Research/Sitter/MAGNDATA / 2.15_Mn3Ni20P6.mcif

Mn₃Ni₂₀P₆

MAGNDATA entry 2.15 · source

s-wave compensated ferrimagnet

Opposite moments cancel, but the two sublattices aren't related by any symmetry, so the bands split like a ferromagnet's (s-wave).

Spin group ¹4/¹m¹m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 29 K (−244 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C m m′ m′ BNS 65.486
Point group	m′m′m
Parent space group	F m 3m No. 225
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1] · [0 0 1/2] 2k
Cell	a 11.085 · b 11.085 · c 22.17 Å · α 90° · β 90° · γ 90°
Transition	29 K (−244 °C)
Measured at	26 K
Magnetic ions	Mn
Largest moment component	2.7 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 C m m′ m′ →

Atom sites · 30 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0	0	0	0	2.2	0	2.2
Mn1_2	Mn	0	0.5	0.25	0	−2.2	0	2.2
Mn1_3	Mn	0	0.5	0.75	0	−2.2	0	2.2
Mn2_1	Mn	0.25	0.25	0.125	0	2.7	0	2.7
Mn2_2	Mn	0.25	0.25	0.625	0	−2.7	0	2.7
Ni1_1	Ni	0.3829	0.3829	0.1915
Ni1_2	Ni	0.6171	0.3829	0.8085
Ni1_3	Ni	0.3829	0.8829	0.4415
Ni1_4	Ni	0.3829	0.8829	0.9415
Ni2_1	Ni	0	0.8255	0.9127
Ni2_2	Ni	0	0.8255	0.0872
Ni2_3	Ni	0.8255	0	0.9127
Ni2_4	Ni	0.8255	0	0.0872
Ni2_5	Ni	0.8255	0.8255	0
Ni2_6	Ni	0	0.3255	0.1628
Ni2_7	Ni	0.8255	0.5	0.1628
Ni2_8	Ni	0.8255	0.3255	0.25
Ni2_9	Ni	0	0.3255	0.6627
Ni2_10	Ni	0.8255	0.5	0.6627
Ni2_11	Ni	0.8255	0.3255	0.75
P1_1	P	0.2647	0	0
P1_2	P	0	0.2647	0
P1_3	P	0	0	0.1323
P1_4	P	0	0	0.8677
P1_5	P	0.2647	0.5	0.25
P1_6	P	0	0.7647	0.25
P1_7	P	0	0.5	0.3824
P1_8	P	0.2647	0.5	0.75
P1_9	P	0	0.7647	0.75
P1_10	P	0	0.5	0.8823

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

⬇ 2.15_Mn3Ni20P6.mcif from MAGNDATA · entry page

sha256 of this copy: 82cc613f51e97d108e4fab3d859e7762176b84ef44d9b102a9554970adfda438
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.15_Mn3Ni20P6.mcif.