Research/Sitter/MAGNDATA / 1.0.21_K2Mn3(VO4)2CO3.mcif

K₂Mn₃(VO₄)₂CO₃

MAGNDATA entry 1.0.21 · 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 ¹6/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 3 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 9 properties

Magnetic group	P 6₃′/m BNS 176.145
Parent space group	P 6₃/m No. 176
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/3 1/3 0] · [0 0 0] 1k
Cell	a 15.5877 · b 15.5877 · c 22.405 Å · α 90° · β 90° · γ 120°
Transition	3 K (−270 °C)
Magnetic ions	Mn
Largest moment component	5 μ_B
Method	NPD and NSD

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 6₃′/m →

Atom sites · 18 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
K1	K	0.1111	0.2222	0.6578
Mn1	Mn	0.1111	0.2222	0.0046	0	0	5	5
Mn2_1	Mn	0	0	0.25	0	0	−3.7	3.7
Mn2_2	Mn	0	0.3333	0.25	0	0	1.85	1.85
Mn2_3	Mn	0	0.3333	0.75	0	0	−1.85	1.85
V1_1	V	0	0	0.08
V1_2	V	0	0.3333	0.08
V1_3	V	0	0.3333	0.58
C1	C	0.1111	0.2222	0.25
O1_1	O	0.107	0.1033	0.055
O1_2	O	0.107	0.4366	0.055
O1_3	O	0.893	0.2301	0.555
O2_1	O	0	0	0.1552
O2_2	O	0	0.3333	0.1552
O2_3	O	0	0.3333	0.6552
O3_1	O	0.0227	0.2085	0.25
O3_2	O	0.0227	0.5418	0.25
O3_3	O	0.9773	0.1248	0.75

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

V.O. Garlea et al. PHYSICAL REVIEW X (2019) · doi:10.1103/PhysRevX.9.011038

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.0.21_K2Mn3(VO4)2CO3.mcif from MAGNDATA · entry page

sha256 of this copy: 70e6587d0f9f70583b95459e563daeb604dcb94e6933d9c34c56b5954974aa05
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.21_K2Mn3(VO4)2CO3.mcif.