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):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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	x,-y,-z,+1	{ 2₁₀₀ \| 0 }
3	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
4	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
5	y+3/4,-x+1/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 3/4 }
6	-y+1/4,x+1/4,-z+3/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 3/4 }
7	-y+1/4,-x+3/4,z+1/4,+1	{ m₁₁₀ \| 1/4 3/4 1/4 }
8	y+3/4,x+3/4,z+1/4,+1	{ m_1-10 \| 3/4 3/4 1/4 }
9	-y+1/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 1/4 }
10	y+3/4,-x+3/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 1/4 }
11	y+3/4,x+1/4,-z+3/4,-1	{ 2'₁₁₀ \| 3/4 1/4 3/4 }
12	-y+1/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 1/4 3/4 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	-x,y,z,-1	{ m'₁₀₀ \| 0 }
15	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
16	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
19	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	y+1/4,-x+3/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 1/4 }
22	-y+3/4,x+3/4,-z+1/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 1/4 }
23	-y+3/4,-x+1/4,z+3/4,+1	{ m₁₁₀ \| 3/4 1/4 3/4 }
24	y+1/4,x+1/4,z+3/4,+1	{ m_1-10 \| 1/4 1/4 3/4 }
25	-y+3/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 3/4 }
26	y+1/4,-x+1/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 3/4 }
27	y+1/4,x+3/4,-z+1/4,-1	{ 2'₁₁₀ \| 1/4 3/4 1/4 }
28	-y+3/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 3/4 1/4 }
29	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
30	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
31	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
32	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

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

a_s	b_s	c_s
1	0	0	a
0	1	0	b
0	0	1	c

origin shift
0	a
0	b
0	c

[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	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	y,-x,-z,+1	-4⁺₀₀₁
6	-y,x,-z,+1	-4^-₀₀₁
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_1-10
9	-y,x,z,-1	4'⁺₀₀₁
10	y,-x,z,-1	4'^-₀₀₁
11	y,x,-z,-1	2'₁₁₀
12	-y,-x,-z,-1	2'_1-10
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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.75000	0.12500	4	0,0,m_z	0.0	0.0	1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.00000	0.25000	0.37500	4
O1	O	0.00000	0.42380	0.22180	16

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.12500	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.25000	0.87500	0,0,-m_z	0.00000	0.00000	-1.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.25000	0.62500	0,0,m_z	0.00000	0.00000	1.00000
4	0.50000	0.75000	0.37500	0,0,-m_z	0.00000	0.00000	-1.00000

Atom	x	y	z
1	0.00000	0.25000	0.37500
2	0.00000	0.75000	0.62500
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500
4	0.50000	0.25000	0.12500

Atom	x	y	z
1	0.00000	0.42380	0.22180
2	0.00000	0.57620	0.77820
3	0.00000	0.92380	0.77820
4	0.00000	0.07620	0.22180
5	0.17380	0.25000	0.52820
6	0.82620	0.25000	0.52820
7	0.82620	0.75000	0.47180
8	0.17380	0.75000	0.47180
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.92380	0.72180
10	0.50000	0.07620	0.27820
11	0.50000	0.42380	0.27820
12	0.50000	0.57620	0.72180
13	0.67380	0.75000	0.02820
14	0.32620	0.75000	0.02820
15	0.32620	0.25000	0.97180
16	0.67380	0.25000	0.97180

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.00000	0.75000	0.12500	4	0,0,m_z	0.0	0.0	1.	1.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.12500	0,0,m_z	0.00000	0.00000	1.00000
2	0.00000	0.25000	0.87500	0,0,-m_z	0.00000	0.00000	-1.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.25000	0.62500	0,0,m_z	0.00000	0.00000	1.00000
4	0.50000	0.75000	0.37500	0,0,-m_z	0.00000	0.00000	-1.00000

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	1

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

TbPO₄ (#0.467)

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

TbPO4 (#0.467)

TbPO₄ (#0.467)