MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.56863	0	0.38725	8	5.8(1),,	-4.10(4)	3.11(6)	1.74(6)	5.83
Tb1_2	Tb	0.56863	0.25	0.88725	8	5.8(1),,	3.27(16)	1.5(2)	5.70(6)	5.82
Tb1_3	Tb	0.81863	0	0.88725	8	5.8(1),,	-1.86(13)	-3.55(10)	3.70(8)	5.83
Tb1_4	Tb	0.81863	0.25	0.38725	8	5.8(1),,	2.05(15)	5.04(6)	-1.55(18)	5.83

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1_1	Te	0.40635	0	0.0627	8
Te1_2	Te	0.40635	0.25	0.5627	8
Te1_3	Te	0.65635	0	0.5627	8
Te1_4	Te	0.65635	0.25	0.0627	8
Sb1_1	Sb	0.375	0.125	0.25	8
Sb1_2	Sb	0.375	0.375	0.75	8
Sb1_3	Sb	0.625	0.125	0.25	8
Sb1_4	Sb	0.625	0.375	0.75	8

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56863	0.00000	0.38725	29/5,0,0	-4.10000	3.11000	1.74000
2	0.43137	0.00000	0.61275	-29/5,0,0	4.10000	3.11000	-1.74000
(1/2,1/2,0) + set click here to show and hide
3	0.06863	0.50000	0.38725	29/5,0,0	-4.10000	3.11000	1.74000
4	0.93137	0.50000	0.61275	-29/5,0,0	4.10000	3.11000	-1.74000
(0,1/2,0)' + set click here to show and hide
5	0.56863	0.50000	0.38725	-29/5,0,0	4.10000	-3.11000	-1.74000
6	0.43137	0.50000	0.61275	29/5,0,0	-4.10000	-3.11000	1.74000
(1/2,0,0)' + set click here to show and hide
7	0.06863	0.00000	0.38725	-29/5,0,0	4.10000	-3.11000	-1.74000
8	0.93137	0.00000	0.61275	29/5,0,0	-4.10000	-3.11000	1.74000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56863	0.25000	0.88725	29/5,0,0	3.27000	1.50000	5.70000
2	0.43137	0.25000	0.11275	-29/5,0,0	-3.27000	1.50000	-5.70000
(1/2,1/2,0) + set click here to show and hide
3	0.06863	0.75000	0.88725	29/5,0,0	3.27000	1.50000	5.70000
4	0.93137	0.75000	0.11275	-29/5,0,0	-3.27000	1.50000	-5.70000
(0,1/2,0)' + set click here to show and hide
5	0.56863	0.75000	0.88725	-29/5,0,0	-3.27000	-1.50000	-5.70000
6	0.43137	0.75000	0.11275	29/5,0,0	3.27000	-1.50000	5.70000
(1/2,0,0)' + set click here to show and hide
7	0.06863	0.25000	0.88725	-29/5,0,0	-3.27000	-1.50000	-5.70000
8	0.93137	0.25000	0.11275	29/5,0,0	3.27000	-1.50000	5.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.81863	0.00000	0.88725	29/5,0,0	-1.86000	-3.55000	3.70000
2	0.18137	0.00000	0.11275	-29/5,0,0	1.86000	-3.55000	-3.70000
(1/2,1/2,0) + set click here to show and hide
3	0.31863	0.50000	0.88725	29/5,0,0	-1.86000	-3.55000	3.70000
4	0.68137	0.50000	0.11275	-29/5,0,0	1.86000	-3.55000	-3.70000
(0,1/2,0)' + set click here to show and hide
5	0.81863	0.50000	0.88725	-29/5,0,0	1.86000	3.55000	-3.70000
6	0.18137	0.50000	0.11275	29/5,0,0	-1.86000	3.55000	3.70000
(1/2,0,0)' + set click here to show and hide
7	0.31863	0.00000	0.88725	-29/5,0,0	1.86000	3.55000	-3.70000
8	0.68137	0.00000	0.11275	29/5,0,0	-1.86000	3.55000	3.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.81863	0.25000	0.38725	29/5,0,0	2.05000	5.04000	-1.55000
2	0.18137	0.25000	0.61275	-29/5,0,0	-2.05000	5.04000	1.55000
(1/2,1/2,0) + set click here to show and hide
3	0.31863	0.75000	0.38725	29/5,0,0	2.05000	5.04000	-1.55000
4	0.68137	0.75000	0.61275	-29/5,0,0	-2.05000	5.04000	1.55000
(0,1/2,0)' + set click here to show and hide
5	0.81863	0.75000	0.38725	-29/5,0,0	-2.05000	-5.04000	1.55000
6	0.18137	0.75000	0.61275	29/5,0,0	2.05000	-5.04000	-1.55000
(1/2,0,0)' + set click here to show and hide
7	0.31863	0.25000	0.38725	-29/5,0,0	-2.05000	-5.04000	1.55000
8	0.68137	0.25000	0.61275	29/5,0,0	2.05000	-5.04000	-1.55000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1_1:

Atom	x	y	z
1	0.40635	0.00000	0.06270
2	0.59365	0.00000	0.93730
(1/2,1/2,0) + set click here to show and hide
3	0.90635	0.50000	0.06270
4	0.09365	0.50000	0.93730
(0,1/2,0)' + set click here to show and hide
5	0.40635	0.50000	0.06270
6	0.59365	0.50000	0.93730
(1/2,0,0)' + set click here to show and hide
7	0.90635	0.00000	0.06270
8	0.09365	0.00000	0.93730

Set of atoms in the unit cell related by symmetry with the atom Te1_2:

Atom	x	y	z
1	0.40635	0.25000	0.56270
2	0.59365	0.25000	0.43730
(1/2,1/2,0) + set click here to show and hide
3	0.90635	0.75000	0.56270
4	0.09365	0.75000	0.43730
(0,1/2,0)' + set click here to show and hide
5	0.40635	0.75000	0.56270
6	0.59365	0.75000	0.43730
(1/2,0,0)' + set click here to show and hide
7	0.90635	0.25000	0.56270
8	0.09365	0.25000	0.43730

Set of atoms in the unit cell related by symmetry with the atom Te1_3:

Atom	x	y	z
1	0.65635	0.00000	0.56270
2	0.34365	0.00000	0.43730
(1/2,1/2,0) + set click here to show and hide
3	0.15635	0.50000	0.56270
4	0.84365	0.50000	0.43730
(0,1/2,0)' + set click here to show and hide
5	0.65635	0.50000	0.56270
6	0.34365	0.50000	0.43730
(1/2,0,0)' + set click here to show and hide
7	0.15635	0.00000	0.56270
8	0.84365	0.00000	0.43730

Set of atoms in the unit cell related by symmetry with the atom Te1_4:

Atom	x	y	z
1	0.65635	0.25000	0.06270
2	0.34365	0.25000	0.93730
(1/2,1/2,0) + set click here to show and hide
3	0.15635	0.75000	0.06270
4	0.84365	0.75000	0.93730
(0,1/2,0)' + set click here to show and hide
5	0.65635	0.75000	0.06270
6	0.34365	0.75000	0.93730
(1/2,0,0)' + set click here to show and hide
7	0.15635	0.25000	0.06270
8	0.84365	0.25000	0.93730

Set of atoms in the unit cell related by symmetry with the atom Sb1_1:

Atom	x	y	z
1	0.37500	0.12500	0.25000
2	0.62500	0.12500	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.87500	0.62500	0.25000
4	0.12500	0.62500	0.75000
(0,1/2,0)' + set click here to show and hide
5	0.37500	0.62500	0.25000
6	0.62500	0.62500	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.87500	0.12500	0.25000
8	0.12500	0.12500	0.75000

Set of atoms in the unit cell related by symmetry with the atom Sb1_2:

Atom	x	y	z
1	0.37500	0.37500	0.75000
2	0.62500	0.37500	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.87500	0.87500	0.75000
4	0.12500	0.87500	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.37500	0.87500	0.75000
6	0.62500	0.87500	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.87500	0.37500	0.75000
8	0.12500	0.37500	0.25000

Set of atoms in the unit cell related by symmetry with the atom Sb1_3:

Atom	x	y	z
1	0.62500	0.12500	0.25000
2	0.37500	0.12500	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.12500	0.62500	0.25000
4	0.87500	0.62500	0.75000
(0,1/2,0)' + set click here to show and hide
5	0.62500	0.62500	0.25000
6	0.37500	0.62500	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.12500	0.12500	0.25000
8	0.87500	0.12500	0.75000

Set of atoms in the unit cell related by symmetry with the atom Sb1_4:

Atom	x	y	z
1	0.62500	0.37500	0.75000
2	0.37500	0.37500	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.12500	0.87500	0.75000
4	0.87500	0.87500	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.62500	0.87500	0.75000
6	0.37500	0.87500	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.12500	0.37500	0.75000
8	0.87500	0.37500	0.25000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.56863	0	0.38725	8	5.8(1),,	-4.10(4)	3.11(6)	1.74(6)	5.83
Tb1_2	Tb	0.56863	0.25	0.88725	8	5.8(1),,	3.27(16)	1.5(2)	5.70(6)	5.82
Tb1_3	Tb	0.81863	0	0.88725	8	5.8(1),,	-1.86(13)	-3.55(10)	3.70(8)	5.83
Tb1_4	Tb	0.81863	0.25	0.38725	8	5.8(1),,	2.05(15)	5.04(6)	-1.55(18)	5.83

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56863	0.00000	0.38725	29/5,0,0	-4.10000	3.11000	1.74000
2	0.43137	0.00000	0.61275	-29/5,0,0	4.10000	3.11000	-1.74000
(1/2,1/2,0) + set click here to show and hide
3	0.06863	0.50000	0.38725	29/5,0,0	-4.10000	3.11000	1.74000
4	0.93137	0.50000	0.61275	-29/5,0,0	4.10000	3.11000	-1.74000
(0,1/2,0)' + set click here to show and hide
5	0.56863	0.50000	0.38725	-29/5,0,0	4.10000	-3.11000	-1.74000
6	0.43137	0.50000	0.61275	29/5,0,0	-4.10000	-3.11000	1.74000
(1/2,0,0)' + set click here to show and hide
7	0.06863	0.00000	0.38725	-29/5,0,0	4.10000	-3.11000	-1.74000
8	0.93137	0.00000	0.61275	29/5,0,0	-4.10000	-3.11000	1.74000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.56863	0.25000	0.88725	29/5,0,0	3.27000	1.50000	5.70000
2	0.43137	0.25000	0.11275	-29/5,0,0	-3.27000	1.50000	-5.70000
(1/2,1/2,0) + set click here to show and hide
3	0.06863	0.75000	0.88725	29/5,0,0	3.27000	1.50000	5.70000
4	0.93137	0.75000	0.11275	-29/5,0,0	-3.27000	1.50000	-5.70000
(0,1/2,0)' + set click here to show and hide
5	0.56863	0.75000	0.88725	-29/5,0,0	-3.27000	-1.50000	-5.70000
6	0.43137	0.75000	0.11275	29/5,0,0	3.27000	-1.50000	5.70000
(1/2,0,0)' + set click here to show and hide
7	0.06863	0.25000	0.88725	-29/5,0,0	-3.27000	-1.50000	-5.70000
8	0.93137	0.25000	0.11275	29/5,0,0	3.27000	-1.50000	5.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.81863	0.00000	0.88725	29/5,0,0	-1.86000	-3.55000	3.70000
2	0.18137	0.00000	0.11275	-29/5,0,0	1.86000	-3.55000	-3.70000
(1/2,1/2,0) + set click here to show and hide
3	0.31863	0.50000	0.88725	29/5,0,0	-1.86000	-3.55000	3.70000
4	0.68137	0.50000	0.11275	-29/5,0,0	1.86000	-3.55000	-3.70000
(0,1/2,0)' + set click here to show and hide
5	0.81863	0.50000	0.88725	-29/5,0,0	1.86000	3.55000	-3.70000
6	0.18137	0.50000	0.11275	29/5,0,0	-1.86000	3.55000	3.70000
(1/2,0,0)' + set click here to show and hide
7	0.31863	0.00000	0.88725	-29/5,0,0	1.86000	3.55000	-3.70000
8	0.68137	0.00000	0.11275	29/5,0,0	-1.86000	3.55000	3.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.81863	0.25000	0.38725	29/5,0,0	2.05000	5.04000	-1.55000
2	0.18137	0.25000	0.61275	-29/5,0,0	-2.05000	5.04000	1.55000
(1/2,1/2,0) + set click here to show and hide
3	0.31863	0.75000	0.38725	29/5,0,0	2.05000	5.04000	-1.55000
4	0.68137	0.75000	0.61275	-29/5,0,0	-2.05000	5.04000	1.55000
(0,1/2,0)' + set click here to show and hide
5	0.81863	0.75000	0.38725	-29/5,0,0	-2.05000	-5.04000	1.55000
6	0.18137	0.75000	0.61275	29/5,0,0	2.05000	-5.04000	-1.55000
(1/2,0,0)' + set click here to show and hide
7	0.31863	0.25000	0.38725	-29/5,0,0	-2.05000	-5.04000	1.55000
8	0.68137	0.25000	0.61275	29/5,0,0	2.05000	-5.04000	-1.55000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mW2W4	8	4	special-2	primary	8
mW1W3	8	4	special-2	primary?	4

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

TbSbTe (#2.102)