MAGNDATA arrow Collection of Magnetic Structures


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

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K4Ni5Te3O16 (#1.884)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Xianghan Xu, Jeongsoo Park, Qiang Zhang, Zheng Yu Wong, Lijun Wu, Yimei Zhu, Yiqing Hao, Chris Leighton, Danrui Ni, Robert J. Cava, Chem. Mater. (2026) 38 6804 - 6811
DOI: 10.1021/acs.chemmater.6c00997
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmm2 (#25)
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 30 K
Experiment Temperature: 20 K

Lattice parameters of the magnetic unit cell:
24.1372 25.2364 10.4546 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: FSmm2 (#42.223) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

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

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Ni1Ni0.0000000.3748650.075500160,my,mz0.02.71(22)0.20(60)2.72
Ni2Ni0.1258500.3769550.07685032mx,my,mz-1.38(32)1.82(17)-0.44(36)2.33
Ni3Ni0.3111200.3750750.32500032mx,my,mz0.30(32)0.07(64)-0.36(52)0.47

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mR2 1 1 general primary 8


Comments:
Comments (symmetry):

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