Research/Sitter/MAGNDATA / 0.1118_Ba3Cr2ReO9.mcif

⬇ Download .mcif  ·  Data (JSON)

Spin lattice of Ba3Cr3Re1O9Spin lattice of Ba3Cr3Re1O9

Ba3Cr3Re1O9

MAGNDATA entry 0.1118 · source
d-wave altermagnet
No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).
Spin group ¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 225 K (−48 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupC m c m BNS 63.457
Point groupmmm
Parent space groupP 63/m m c No. 194
Spinscollinear · 2 nodal planes · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 5.6837 · b 9.8444 · c 13.9017 Å · α 90° · β 90° · γ 90°
Transition225 K (−48 °C)
Measured at3 K
Magnetic ionsCr, Re
Largest moment component2.4 μB
MethodNPD

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 c m →
Atom sites · 10 sites · CSV
siteelementxyzmambmc|m| (μB)
Ba1Ba000.25
Ba2Ba00.33330.3992
Re1Re000−0.51000.51
Cr1Cr000−2.4002.4
Cr2Cr00.33330.83992.4002.4
Re2Re00.33330.83990.51000.51
O1_1O00.5110.25
O1_2O0.7340.2450.25
O2_1O00.8380.422
O2_2O0.7390.42−0.078

Moment components are along the crystal axes a, b, c (μB), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

Cierra J. Foster et al. Inorganic Chemistry (2025) · doi:10.1021/acs.inorgchem.5c01630

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1118_Ba3Cr2ReO9.mcif from MAGNDATA · entry page

sha256 of this copy: 8187b03c3dd83909c93acc5a4ca50822e67b4212394befdd5feb9e690da71864
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1118_Ba3Cr2ReO9.mcif.