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+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀

Label	Atom type	x	y	z	Multiplicity
Gd1	Gd	0.19000	0.07400	0.24800	4
O1	O	0.18000	0.82000	0.05000	4
O2	O	0.31000	0.29000	0.05000	4
O3	O	0.90000	0.46000	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.30000	-1.61000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.30000	1.61000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.50000	-1.64000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.50000	1.64000

Atom	x	y	z
1	0.19000	0.07400	0.24800
2	0.31000	0.57400	0.25200
3	0.81000	0.92600	0.75200
4	0.69000	0.42600	0.74800

Atom	x	y	z
1	0.18000	0.82000	0.05000
2	0.32000	0.32000	0.45000
3	0.82000	0.18000	0.95000
4	0.68000	0.68000	0.55000

Atom	x	y	z
1	0.31000	0.29000	0.05000
2	0.19000	0.79000	0.45000
3	0.69000	0.71000	0.95000
4	0.81000	0.21000	0.55000

Atom	x	y	z
1	0.90000	0.46000	0.25000
2	0.60000	0.96000	0.25000
3	0.10000	0.54000	0.75000
4	0.40000	0.04000	0.75000

Reference: ?, PHYSICAL REVIEW MATERIALS (2025) 9 104407
DOI: 10.1103/fh1z-bxqt
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 51 K
Experiment Temperature: 6 K

Lattice parameters of the magnetic unit cell:
5.31800 5.75000 7.59200 90.00 89.90 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/c.1 (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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\|
Co1	Co	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.3(2)	-1.61(5)	1.64
Ru1	Ru	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	0.0	0.5(4)	-1.64(6)	1.71

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.30000	-1.61000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.30000	1.61000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.00000	0.50000	-1.64000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.50000	1.64000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	6

Comments:

NPD
Non-standard setting P2_1/n of parent space group

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
FM along b

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

Gd2CoRuO6 (#0.1139)

Gd₂CoRuO₆ (#0.1139)