MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

[Hide]

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-y,-x,-z,+1	{ 2_1-10 \| 0 }
3	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
4	y+1/2,x,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y,x,z,+1	{ m_1-10 \| 0 }
7	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
8	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
11	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
12	y,x+1/2,-z,+1	{ 2₁₁₀ \| 0 1/2 0 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
15	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
16	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
17	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
18	-y+1/2,-x,-z,-1	{ 2'_1-10 \| 1/2 0 0 }
19	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
20	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
21	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
22	y+1/2,x,z,-1	{ m'_1-10 \| 1/2 0 0 }
23	x,y,-z,-1	{ m'₀₀₁ \| 0 }
24	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
(0,1/2,0)' + set click here to show and hide
25	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
26	-y,-x+1/2,-z,-1	{ 2'_1-10 \| 0 1/2 0 }
27	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
28	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
29	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
30	y,x+1/2,z,-1	{ m'_1-10 \| 0 1/2 0 }
31	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
32	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }

[Hide]

Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

[Hide]

Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,-x,-z,+1	2_1-10
3	-x,-y,z,+1	2₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-x,-y,-z,+1	-1
6	y,x,z,+1	m_1-10
7	x,y,-z,+1	m₀₀₁
8	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,-x,-z,-1	2'_1-10
11	-x,-y,z,-1	2'₀₀₁
12	y,x,-z,-1	2'₁₁₀
13	-x,-y,-z,-1	-1'
14	y,x,z,-1	m'_1-10
15	x,y,-z,-1	m'₀₀₁
16	-y,-x,z,-1	m'₁₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.25000	0.25000	0.50000	4	m_x,-m_x,0	1.5(1)	-1.5(1)	0.0	2.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ag1	Ag	0.00000	0.00000	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,-m_x,0	1.50000	-1.50000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.50000	m_x,-m_x,0	1.50000	-1.50000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.25000	0.50000	-m_x,m_x,0	-1.50000	1.50000	0.00000
(0,1/2,0)' + set click here to show and hide
4	0.25000	0.75000	0.50000	-m_x,m_x,0	-1.50000	1.50000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.00000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.25000	0.25000	0.50000	4	m_x,-m_x,0	1.5(1)	-1.5(1)	0.0	2.12

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,-m_x,0	1.50000	-1.50000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.50000	m_x,-m_x,0	1.50000	-1.50000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.25000	0.50000	-m_x,m_x,0	-1.50000	1.50000	0.00000
(0,1/2,0)' + set click here to show and hide
4	0.25000	0.75000	0.50000	-m_x,m_x,0	-1.50000	1.50000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM5+	6	2	special	primary	1

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