Research/Sitter/MAGNDATA / 0.1010_C10H6MnN4O4.mcif

C₁₀H₆Mn₁N₄O₄

MAGNDATA entry 0.1010 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 3.3 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁′/c BNS 14.77
Point group	2′/m
Parent space group	P 2₁/c No. 14
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 10.2078 · b 10.8444 · c 10.1095 Å · α 90° · β 108.429° · γ 90°
Transition	3.3 K (−270 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	4.36 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 2₁′/c →

Atom sites · 25 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0.498	0.128	0.101	4.36	1.3	1.5	4.3376
C1	C	0.8231	0.1158	0.1434
C2	C	0.9601	0.1452	0.1777
H2	H	0.0153	0.1011	0.1366
C3	C	0.9335	0.2923	0.3236
H3	H	0.9687	0.3554	0.3864
C4	C	0.7962	0.2632	0.2925
H4	H	0.7421	0.3054	0.3365
C5	C	0.3673	0.3721	0.9586
C6	C	0.2775	0.4689	0.9158
H6	H	0.2856	0.5179	0.8435
C7	C	0.1732	0.4212	0.0736
H7	H	0.1051	0.4346	0.1156
C8	C	0.2626	0.3245	0.1194
H8	H	0.2544	0.2762	0.1922
C10	C	0.7579	0.0154	0.0413
C20	C	0.471	0.3387	0.8862
N1	N	0.7385	0.1759	0.2007
N2	N	0.0183	0.2341	0.2675
N3	N	0.3609	0.2984	0.0619
N4	N	0.1795	0.4957	0.9729
O1	O	0.8252	0.9666	0.9752
O2	O	0.6329	0.9906	0.0333
O3	O	0.541	0.244	0.9277
O4	O	0.475	0.4062	0.7869

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

S. Calder et al. PHYSICAL REVIEW MATERIALS (2023) · doi:10.1103/PhysRevMaterials.7.124408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1010_C10H6MnN4O4.mcif from MAGNDATA · entry page

sha256 of this copy: 404cfc47ec7e51c8b16bb2c651915f3bbce584ce0f70a4f209e8d72aa2f38b0a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1010_C10H6MnN4O4.mcif.

C10H6Mn1N4O4

Symmetry

Source

Original file

C₁₀H₆Mn₁N₄O₄