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,-x3,-x4+1/2,+1	{ 2₁₀₀ \| 1/2 0 0 1/2 }
3	-x1,x2,-x3,-x4+1/2,+1	{ 2₀₁₀ \| 0 0 0 1/2 }
4	-x1+1/2,-x2,x3,x4,+1	{ 2₀₀₁ \| 1/2 0 0 0 }
5	-x1,-x2,-x3,-x4,+1	{ -1 \| 0 }
6	-x1+1/2,x2,x3,x4+1/2,+1	{ m₁₀₀ \| 1/2 0 0 1/2 }
7	x1,-x2,x3,x4+1/2,+1	{ m₀₁₀ \| 0 0 0 1/2 }
8	x1+1/2,x2,-x3,-x4,+1	{ m₀₀₁ \| 1/2 0 0 0 }
(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,-x3,-x4,-1	{ 2'₁₀₀ \| 1/2 0 0 0 }
11	-x1,x2,-x3,-x4,-1	{ 2'₀₁₀ \| 0 }
12	-x1+1/2,-x2,x3,x4+1/2,-1	{ 2'₀₀₁ \| 1/2 0 0 1/2 }
13	-x1,-x2,-x3,-x4+1/2,-1	{ -1' \| 0 0 0 1/2 }
14	-x1+1/2,x2,x3,x4,-1	{ m'₁₀₀ \| 1/2 0 0 0 }
15	x1,-x2,x3,x4,-1	{ m'₀₁₀ \| 0 }
16	x1+1/2,x2,-x3,-x4+1/2,-1	{ m'₀₀₁ \| 1/2 0 0 1/2 }

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
Co1	Co	0.25000	0.00000	0.80700	2
Al1	Al	0.00000	0.00000	0.00000	2
Al2	Al	0.25000	0.50000	0.03700	2
Al3	Al	0.06900	0.50000	0.69600	4

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
Pr1	0	0	M_zc1	0.0	0.0	2.13	0	0	M_zs1	0.0	0.0	-0.69

Atom	x	y	z
1	0.25000	0.00000	0.38600
2	0.75000	0.00000	0.61400

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	0	0	M_zcos1	0.0	0.0	2.13000	0	0	M_zcos1+M_ysin1	0.0	0.0	-0.69000
2	0	0	M_zcos1	0.0	0.0	2.13000	0	0	-M_zcos1-M_ysin1	0.0	0.0	0.69000

Atom	x	y	z
1	0.25000	0.00000	0.80700
2	0.75000	0.00000	0.19300

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

Atom	x	y	z
1	0.25000	0.50000	0.03700
2	0.75000	0.50000	0.96300

Atom	x	y	z
1	0.06900	0.50000	0.69600
2	0.56900	0.50000	0.30400
3	0.93100	0.50000	0.30400
4	0.43100	0.50000	0.69600

Reference: P. Schobinger-Papamantellos, G. Andre, J. Rodriguez-Carvajal, O. Mozec, W. Kockelmann, L.D. Tung, K.H.J. Buschow, Journal of Magnetism and Magnetic Materials (2001) 231 162 - 171
DOI: 10.1016/S0304-8853(01)00062-2
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmma (#51)
Propagation vector: k1 (0.00000, 0.00000, 0.437(2))

Transition Temperature: 17 K
Experiment Temperature: 1.5 K

Lattice parameters of the basic unit cell:
7.64400 4.04310 6.87170 90.00000 90.00000 90.00000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

Magnetic Superspace Group: Pmma1'(0,0,g)ss0s
    [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
Pr1	Pr	0.25000	0.00000	0.38600	2

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
Pr1	0	0	M_zc1	0.0	0.0	2.13	0	0	M_zs1	0.0	0.0	-0.69

Atom	x	y	z
1	0.25000	0.00000	0.38600
2	0.75000	0.00000	0.61400

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	0	0	M_zcos1	0.0	0.0	2.13000	0	0	M_zcos1+M_ysin1	0.0	0.0	-0.69000
2	0	0	M_zcos1	0.0	0.0	2.13000	0	0	-M_zcos1-M_ysin1	0.0	0.0	0.69000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	direction	action
mLD2	1	2	general	primary

Comments:

NPD
The proposed model has the modulations of the two Pr atoms within one unit cell in phase. This implies a specific phase shift of the single symmetry independent Pr modulation in the present description.
In the present description, the phase origin for the modulation is chosen at the inversion centre along x4. This initial phase choice is different from the one in the publication.
Pr moment amplitude:2.24(4)

Comments (symmetry):

1k incommensurate magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

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

PrCoAl₄ (#1.1.125)

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

PrCoAl4 (#1.1.125)

PrCoAl₄ (#1.1.125)