MAGNDATA - Collection of Magnetic Structures

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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
(1/2,0,1/2)' + set click here to show and hide
5	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
6	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
7	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
8	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }

[Hide]

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
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,y,-z,-1	2'₀₁₀
8	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.48823	0.25000	0.75000	4	0,M_y,M_z	0.0	7.22(10)	1.16(5)	7.31
Tb2	Tb	0.26786	0.00497	0.48457	8	M_x,M_y,M_z	3.66(6)	1.57(3)	6.48(4)	7.61

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1	Nb	-0.00929	0.25000	0.75000	4
O1	O	0.20698	0.77152	0.62866	8
O2	O	0.18551	0.21373	0.62446	8
O3	O	0.00000	0.00000	0.37836	4
O4	O	0.00000	0.00000	0.11476	4
O5	O	0.00000	0.00000	0.81764	4

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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.48823	0.25000	0.75000	0,m_y,m_z	0.00000	7.22000	1.16000
2	0.01177	0.75000	0.25000	0,m_y,-m_z	0.00000	7.22000	-1.16000
(1/2,0,1/2)' + set click here to show and hide
3	0.98823	0.25000	0.25000	0,-m_y,-m_z	0.00000	-7.22000	-1.16000
4	0.51177	0.75000	0.75000	0,-m_y,m_z	0.00000	-7.22000	1.16000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26786	0.00497	0.48457	m_x,m_y,m_z	3.66000	1.57000	6.48000
2	0.76786	0.49503	0.51543	m_x,-m_y,-m_z	3.66000	-1.57000	-6.48000
3	0.23214	0.50497	0.51543	-m_x,m_y,-m_z	-3.66000	1.57000	-6.48000
4	0.73214	0.99503	0.48457	-m_x,-m_y,m_z	-3.66000	-1.57000	6.48000
(1/2,0,1/2)' + set click here to show and hide
5	0.76786	0.00497	0.98457	-m_x,-m_y,-m_z	-3.66000	-1.57000	-6.48000
6	0.26786	0.49503	0.01543	-m_x,m_y,m_z	-3.66000	1.57000	6.48000
7	0.73214	0.50497	0.01543	m_x,-m_y,m_z	3.66000	-1.57000	6.48000
8	0.23214	0.99503	0.98457	m_x,m_y,-m_z	3.66000	1.57000	-6.48000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1:

Atom	x	y	z
1	0.99071	0.25000	0.75000
2	0.50929	0.75000	0.25000
(1/2,0,1/2)' + set click here to show and hide
3	0.49071	0.25000	0.25000
4	0.00929	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.20698	0.77152	0.62866
2	0.70698	0.72848	0.37134
3	0.29302	0.27152	0.37134
4	0.79302	0.22848	0.62866
(1/2,0,1/2)' + set click here to show and hide
5	0.70698	0.77152	0.12866
6	0.20698	0.72848	0.87134
7	0.79302	0.27152	0.87134
8	0.29302	0.22848	0.12866

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.18551	0.21373	0.62446
2	0.68551	0.28627	0.37554
3	0.31449	0.71373	0.37554
4	0.81449	0.78627	0.62446
(1/2,0,1/2)' + set click here to show and hide
5	0.68551	0.21373	0.12446
6	0.18551	0.28627	0.87554
7	0.81449	0.71373	0.87554
8	0.31449	0.78627	0.12446

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.00000	0.00000	0.37836
2	0.50000	0.50000	0.62164
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.87836
4	0.00000	0.50000	0.12164

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.00000	0.00000	0.11476
2	0.50000	0.50000	0.88524
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.61476
4	0.00000	0.50000	0.38524

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.00000	0.00000	0.81764
2	0.50000	0.50000	0.18236
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.31764
4	0.00000	0.50000	0.68236

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.48823	0.25000	0.75000	4	0,M_y,M_z	0.0	7.22(10)	1.16(5)	7.31
Tb2	Tb	0.26786	0.00497	0.48457	8	M_x,M_y,M_z	3.66(6)	1.57(3)	6.48(4)	7.61

label	dim. small irrep	dim. full irrep	action	number of modes
mY4	1	1	primary	5

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