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	0.00710	0.03140	0.24850	4
O1	O	0.26730	0.30120	0.03520	4
O2	O	0.19730	0.77330	0.03750	4
O3	O	0.93110	0.48280	0.23430	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	0.00000	3.02000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-3.02000

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	0.00000	2.19000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	-2.19000

Atom	x	y	z
1	0.00710	0.03140	0.24850
2	0.49290	0.53140	0.25150
3	0.99290	0.96860	0.75150
4	0.50710	0.46860	0.74850

Atom	x	y	z
1	0.26730	0.30120	0.03520
2	0.23270	0.80120	0.46480
3	0.73270	0.69880	0.96480
4	0.76730	0.19880	0.53520

Atom	x	y	z
1	0.19730	0.77330	0.03750
2	0.30270	0.27330	0.46250
3	0.80270	0.22670	0.96250
4	0.69730	0.72670	0.53750

Atom	x	y	z
1	0.93110	0.48280	0.23430
2	0.56890	0.98280	0.26570
3	0.06890	0.51720	0.76570
4	0.43110	0.01720	0.73430

Reference: Y. Doi, Y. Hinatsu, K. Oikawa, Y. Shimojob, Y. Morii, J. Mater. Chem. (2000) 10 797 - 800
DOI: 10.1039/A909096G
Atomic positions from: ICSD #90655

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: 36 K
Experiment Temperature: 25 K

Lattice parameters of the magnetic unit cell:
5.76180 5.78190 8.15070 90.00 90.25 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.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\|
Ho1	Ho	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.0	3.02(7)	3.02
Ru1	Ru	0.50000	0.00000	0.50000	2	m_x,m_y,m_z	0.0	0.0	2.19(10)	2.19

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	0.00000	3.02000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-3.02000

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	0.00000	2.19000
2	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	0.00000	0.00000	-2.19000

[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.
WFM along b

Comments (symmetry):

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

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

Sr2HoRuO6 (#0.793)

Sr₂HoRuO₆ (#0.793)