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MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Na2BaMn(PO4)2 (#1.1.161)

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Magnetic structure with only magnetic atoms


Reference: N. Biniskos, F.J. dos Santos, M. Stekiel, K. Schmalzl, E. Ressouche, D. Svitak, A. Labh, M. Valiska, N. Marzari, P. Cermak, PHYSICAL REVIEW B (2025) 112 174429
DOI: 10.1103/kszh-m6bf
Atomic positions from: ICSD #2531823

Parent space group (paramagnetic phase): P-3 (#147)
Propagation vector: k1 (0.33333, 0.33333, 0.18700)

Transition Temperature: 1.13 K
Experiment Temperature: 0.60 K

Lattice parameters of the basic unit cell:
5.37294 5.37294 7.09442 90.00000 90.00000 120.00000
Transformation from parent structure: (a,b,c;0,0,0)
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Magnetic Superspace Group: P1.1'(a,b,g)0s
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Magnetic Point Group: 1.1' (1.2.2)
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Symmetry-adapted form of material tensors via

Average positions, magnetic moments and magnetic modulations of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

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Average atomic positions of symmetry independent atoms

LabelAtom typexyzMultiplicity
Mn1_1Mn0.000000.000000.000001

Magnetic moment modulation parameters of symmetry independent atoms

Wave vector 1
AtomMagnetic moment Fourier Cos coeffsMagnetic moment Fourier Sin coeffs
Symmetry constraintsNumerical valuesSymmetry constraintsNumerical values
xyzxyzxyzxyz
Mn1_1Mxc1Myc1Mzc1-0.063000.03.70383Mxs1Mys1Mzs1-2.21760-4.435200.0

    [Show all magnetic atoms in unit cell and their moment relations]



Active Irreps:

labeldim. small irrepdim. full irrepdirectionaction
mP1 1 3 primary
mP2mP3 2 3 special primary


Comments:
Comments (symmetry):

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