Research/Sitter/MAGNDATA / 1.193_CrTe3.mcif

CrTe₃

MAGNDATA entry 1.193 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 55 K (−218 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 2₁/c No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 15.76 · b 22.168 · c 23.036 Å · α 90° · β 118.46° · γ 90°
Transition	55 K (−218 °C)
Measured at	10 K
Magnetic ions	Cr
Largest moment component	2.1 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_S 1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cr1_1	Cr	0.004	0.2515	0.085	2.1	0.7	1.1	1.977
Cr1_2	Cr	0.996	0.5015	0.165	2.1	0.7	1.1	1.977
Cr2_1	Cr	0.011	0.1165	0.004	−2.1	−0.7	−1.1	1.977
Cr2_2	Cr	0.989	0.3665	0.246	−2.1	−0.7	−1.1	1.977
Te1_1	Te	0.1005	0.31	0.199
Te1_2	Te	0.8995	0.56	0.051
Te2_1	Te	0.1145	0.2995	0.0365
Te2_2	Te	0.8855	0.5495	0.2135
Te3_1	Te	0.139	0.0865	0.2165
Te3_2	Te	0.861	0.3365	0.0335
Te4_1	Te	0.1375	0.163	0.123
Te4_2	Te	0.8625	0.413	0.127
Te5_1	Te	0.1455	0.0295	0.0475
Te5_2	Te	0.8545	0.2795	0.2025
Te6_1	Te	0.3975	0.193	0.1325
Te6_2	Te	0.6025	0.443	0.1175

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

M.A. McGuire et al. PHYSICAL REVIEW B (2017) · doi:10.1103/PhysRevB.95.144421

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.193_CrTe3.mcif from MAGNDATA · entry page

sha256 of this copy: 355c1083c8f75437d19d7546edd7312838ca3c6c076c7a51ad4891ceeaae68d3
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.193_CrTe3.mcif.