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
Sr1	Sr	0.00790	0.03050	0.24980	4
O1	O	0.26760	0.29900	0.03560	4
O2	O	0.19840	0.77070	0.03540	4
O3	O	0.93040	0.48650	0.23540	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	4.59000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-4.59000	0.00000	0.00000

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	1.74000	0.00000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-1.74000	0.00000	0.00000

Atom	x	y	z
1	0.00790	0.03050	0.24980
2	0.49210	0.53050	0.25020
3	0.99210	0.96950	0.75020
4	0.50790	0.46950	0.74980

Atom	x	y	z
1	0.26760	0.29900	0.03560
2	0.23240	0.79900	0.46440
3	0.73240	0.70100	0.96440
4	0.76760	0.20100	0.53560

Atom	x	y	z
1	0.19840	0.77070	0.03540
2	0.30160	0.27070	0.46460
3	0.80160	0.22930	0.96460
4	0.69840	0.72930	0.53540

Atom	x	y	z
1	0.93040	0.48650	0.23540
2	0.56960	0.98650	0.26460
3	0.06960	0.51350	0.76460
4	0.43040	0.01350	0.73540

Reference: P. D. Battle, C. W. Jones, F. Studer, J. Solid State Chem. (1991) 90 302 - 312
DOI: 10.1016/0022-4596(91)90147-A
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: 50 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
5.75000 5.76360 8.13540 90.00 90.22 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/c (#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 (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\|
Er1	Er	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	4.59(3)	0.0	0.0	4.59
Ru1	Ru	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	1.74(6)	0.0	0.0	1.74

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	4.59000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-4.59000	0.00000	0.00000

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	1.74000	0.00000	0.00000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-1.74000	0.00000	0.00000

[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 parent setting P2_1/n

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

Sr2ErRuO6 (#0.1008)

Sr₂ErRuO₆ (#0.1008)