Research/Sitter/MAGNDATA / 2.106_CaCo3V4O12.mcif

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Spin lattice of Ca1Co3V4O12Spin lattice of Ca1Co3V4O12

Ca1Co3V4O12

MAGNDATA entry 2.106 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 100 K (−173 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupP m′ m′ n′ BNS 59.411
Point groupm′m′m′
Parent space groupI m 3 No. 204
Spinscollinear · net moment 0 μB per cell
Propagation[1 1 1] · [0 0 1/2] 2k
Cella 7.3429 · b 7.3429 · c 14.6857 Å · α 90° · β 90° · γ 90°
Transition100 K (−173 °C)
Measured at10 K
Magnetic ionsCo
Largest moment component3.5 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 P m′ m′ n′ →
Atom sites · 21 sites · CSV
siteelementxyzmambmc|m| (μB)
Ca1_1Ca000
Ca1_2Ca0.50.50.25
Co1_1Co00.50.25002.12.1
Co1_2Co0.500.25002.12.1
Co1_3Co0.500002.12.1
Co1_4Co00.50002.12.1
Co1_5Co0.50.5000−3.53.5
Co1_6Co000.25003.53.5
V1_1V0.250.250.125
V1_2V0.750.250.375
V1_3V0.750.250.875
O1_1O00.7010.0943
O1_2O00.7010.9058
O1_3O0.188500.3505
O1_4O0.188500.6495
O1_5O0.7010.18850
O1_6O0.50.2010.3443
O1_7O0.50.2010.1557
O1_8O0.68850.50.6005
O1_9O0.68850.50.8995
O1_10O0.2010.68850.25

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

S. V. Ovsyannikov et al. Inorg. Chem. (2017) · doi:10.1021/acs.inorgchem.7b00330

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 2.106_CaCo3V4O12.mcif from MAGNDATA · entry page

sha256 of this copy: 6d276e9899e224077469e0567efc9673488ebf5b7aff197087bdce57aa2988a8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.106_CaCo3V4O12.mcif.