MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
4	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,-y,z,-1	2'₀₀₁
4	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.0358(3)	0.25000	0.6282(5)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.18200	0.25000	0.13130	m_x,m_y,m_z	7.66000	4.40000	-3.80000
2	0.81800	0.75000	0.86870	m_x,m_y,m_z	7.66000	4.40000	-3.80000
3	0.31800	0.75000	0.63130	m_x,m_y,-m_z	7.66000	4.40000	3.80000
4	0.68200	0.25000	0.36870	m_x,m_y,-m_z	7.66000	4.40000	3.80000

Atom	x	y	z
1	0.03580	0.25000	0.62820
2	0.96420	0.75000	0.37180
3	0.46420	0.75000	0.12820
4	0.53580	0.25000	0.87180

Reference: X.-Q. Zheng and B.-G. Shen, Chinese Physics B (2017) 26 027501.
DOI: 10.1088/1674-1056/26/2/027501
Atomic positions from: ICSD #235970

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 13.5 K
Experiment Temperature: 5.3 K

Lattice parameters of the magnetic unit cell:
6.9765(1) 4.1548(3) 5.4004(1) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c' (#14.79) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.1820(3)	0.25000	0.1313(6)	4	m_x,m_y,m_z	7.66(7)	4.4(1)	-3.80(5)	9.62

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.18200	0.25000	0.13130	m_x,m_y,m_z	7.66000	4.40000	-3.80000
2	0.81800	0.75000	0.86870	m_x,m_y,m_z	7.66000	4.40000	-3.80000
3	0.31800	0.75000	0.63130	m_x,m_y,-m_z	7.66000	4.40000	3.80000
4	0.68200	0.25000	0.36870	m_x,m_y,-m_z	7.66000	4.40000	3.80000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	2
mGM4+	1	1	primary	1

Comments:

NPD
See also Isikawa et al, J. Appl. Phys. 55, 2031 (1984)
FM on the plane ab
Above 13.5K and up to 35.5K another phase exists with a higher symmetry and FM arrangement restricted to the a direction.
Structures at other various temperatures in the same phase are also reported in the same reference.

Comments (symmetry):

1k magnetic structure
Two 1-dim irreps active as primary

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

HoNi (#0.481)