MAGNDATA - Collection of Magnetic Structures

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x1,x2,x3,x4,+1	{ 1 \| 0 }
2	x1+1/2,-x2+1/2,-x3+1/2,x4,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 0 }
3	-x1,x2+1/2,-x3,-x4+1/2,+1	{ 2₀₁₀ \| 0 1/2 0 1/2 }
4	-x1+1/2,-x2,x3+1/2,-x4+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 1/2 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	-x1+1/2,x2+1/2,x3+1/2,-x4,+1	{ m₁₀₀ \| 1/2 1/2 1/2 0 }
7	x1,-x2+1/2,x3,x4+1/2,+1	{ m₀₁₀ \| 0 1/2 0 1/2 }
8	x1+1/2,x2,-x3+1/2,x4+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 1/2 }
(0,0,0,1/2)' + set click here to show and hide
9	x1,x2,x3,x4+1/2,-1	{ 1' \| 0 0 0 1/2 }
10	x1+1/2,-x2+1/2,-x3+1/2,x4+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 1/2 }
11	-x1,x2+1/2,-x3,-x4,-1	{ 2'₀₁₀ \| 0 1/2 0 0 }
12	-x1+1/2,-x2,x3+1/2,-x4,-1	{ 2'₀₀₁ \| 1/2 0 1/2 0 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	-x1+1/2,x2+1/2,x3+1/2,-x4+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 1/2 }
15	x1,-x2+1/2,x3,x4,-1	{ m'₀₁₀ \| 0 1/2 0 0 }
16	x1+1/2,x2,-x3+1/2,x4,-1	{ m'₀₀₁ \| 1/2 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.0855	0.25	0.9819	4
O1	O	0.466	0.25	0.1093	4
O2	O	0.3266	0.052	0.7005	8

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
Mn1	M_xcos1	M_ycos1	M_zcos1	3.89(6)	0.0	0.0	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000
2	0.50000	0.50000	0.00000
3	0.00000	0.50000	0.50000
4	0.50000	0.00000	0.00000

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
1	M_xcos1	M_ycos1	M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
2	M_xcos1	-M_ycos1	-M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
3	M_xcos1	-M_ycos1	M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
4	M_xcos1	M_ycos1	-M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.08550	0.25000	0.98190
2	0.58550	0.25000	0.51810
3	0.91450	0.75000	0.01810
4	0.41450	0.75000	0.48190

Atom	x	y	z
1	0.46600	0.25000	0.10930
2	0.96600	0.25000	0.39070
3	0.53400	0.75000	0.89070
4	0.03400	0.75000	0.60930

Atom	x	y	z
1	0.32660	0.05200	0.70050
2	0.82660	0.44800	0.79950
3	0.67340	0.55200	0.29950
4	0.17340	0.94800	0.20050
5	0.67340	0.94800	0.29950
6	0.17340	0.55200	0.20050
7	0.32660	0.44800	0.70050
8	0.82660	0.05200	0.79950

Reference: A Munoz, J A Alonso, M T Casais, M J Martinez-Lope, J L Martinez, M T Fernandez-Diaz, J. Phys.: Condens. Matter (2002) 14 3285 - 3294
DOI: 10.1088/0953-8984/14/12/315
Atomic positions from: ICSD #190398

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0.4344(12), 0.000000, 0.000000)

Transition Temperature: 42 K
Experiment Temperature: 1.7 K

Lattice parameters of the basic unit cell:
5.7970 7.3606 5.2404 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Pnma1'(a00)0sss
    [View symmetry operations]

Magnetic Point Group: mmm1' (8.2.25)
    [View symmetry operations]
Symmetry-adapted form of material tensors via

Average positions, magnetic moments and magnetic modulations 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]
     [Show all the atoms]

Average atomic positions of symmetry independent atoms

Label	Atom type	x	y	z	Multiplicity
Mn1	Mn	0	0	0.5	4

Magnetic moment modulation parameters of symmetry independent atoms

Wave vector 1

Atom	Magnetic moment Fourier Cos coeffs						Magnetic moment Fourier Sin coeffs
	Symmetry constraints			Numerical values			Symmetry constraints			Numerical values
	x	y	z	x	y	z	x	y	z	x	y	z
Mn1	M_xcos1	M_ycos1	M_zcos1	3.89(6)	0.0	0.0	0	0	0	0.0	0.0	0.0

Atom	x	y	z
1	0.00000	0.00000	0.50000
2	0.50000	0.50000	0.00000
3	0.00000	0.50000	0.50000
4	0.50000	0.00000	0.00000

Atom	Magnetic moment Fourier Cos coeffs	Magnetic moment Fourier Sin coeffs
Symmetry constraints	Numerical values	Symmetry constraints	Numerical values
x	y	z	x	y	z	x	y	z	x	y	z
1	M_xcos1	M_ycos1	M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
2	M_xcos1	-M_ycos1	-M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
3	M_xcos1	-M_ycos1	M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0
4	M_xcos1	M_ycos1	-M_zcos1	3.89000	0.0	0.0	0	0	0	0.0	0.0	0.0

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

Active Irreps:

label	dim. small irrep	dim. full irrep	direction	action	number of modes
mSM2	1	2	general	primary	3

Comments:

NPD
Position structure from a room temperature determination
The figure showing a scheme of the modulated structure in the original reference is inconsistent with the reported propagation vector of the structure. Here the value reported in the text and table has been assumed correct.

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep (2-dim irrep along a general direction) as primary

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

For comments, please mail to
cryst@wm.lc.ehu.es

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

YMnO₃ (#1.1.71)

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

YMnO3 (#1.1.71)

YMnO₃ (#1.1.71)