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+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
(1/3,2/3,2/3) + set click here to show and hide
3	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
4	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
(2/3,1/3,1/3) + set click here to show and hide
5	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
6	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 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):

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,y,z,+1	m₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	1.	6	m_x,m_y,m_z	-1.3(2)	0.0	4.7(2)	4.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.00000	0.22200	0.8	6
Ho1	Ho	0.00000	0.00000	0.22200	0.2	6
O1_1	O	0.88800	0.64930	0.43690	1.	6
O1_2	O	0.35070	0.23870	0.43690	1.	6
O1_3	O	0.76130	0.11200	0.43690	1.	6

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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-1.30000	0.00000	4.70000
2	0.33333	0.66667	0.16667	m_x-m_y,-m_y,-m_z	-1.30000	0.00000	-4.70000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	m_x,m_y,m_z	-1.30000	0.00000	4.70000
4	0.66667	0.33333	0.83333	m_x-m_y,-m_y,-m_z	-1.30000	0.00000	-4.70000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	m_x,m_y,m_z	-1.30000	0.00000	4.70000
6	0.00000	0.00000	0.50000	m_x-m_y,-m_y,-m_z	-1.30000	0.00000	-4.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.00000	0.00000	0.22200
2	0.33333	0.66667	0.38867
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.88867
4	0.66667	0.33333	0.05533
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.55533
6	0.00000	0.00000	0.72200

Set of atoms in the unit cell related by symmetry with the atom Ho1:

Atom	x	y	z
1	0.00000	0.00000	0.22200
2	0.33333	0.66667	0.38867
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.88867
4	0.66667	0.33333	0.05533
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.55533
6	0.00000	0.00000	0.72200

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.88800	0.64930	0.43690
2	0.09463	0.31597	0.60357
(1/3,2/3,2/3) + set click here to show and hide
3	0.22133	0.31597	0.10357
4	0.42797	0.98263	0.27023
(2/3,1/3,1/3) + set click here to show and hide
5	0.55467	0.98263	0.77023
6	0.76130	0.64930	0.93690

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.35070	0.23870	0.43690
2	0.22133	0.90537	0.60357
(1/3,2/3,2/3) + set click here to show and hide
3	0.68403	0.90537	0.10357
4	0.55467	0.57203	0.27023
(2/3,1/3,1/3) + set click here to show and hide
5	0.01737	0.57203	0.77023
6	0.88800	0.23870	0.93690

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.76130	0.11200	0.43690
2	0.68403	0.77867	0.60357
(1/3,2/3,2/3) + set click here to show and hide
3	0.09463	0.77867	0.10357
4	0.01737	0.44533	0.27023
(2/3,1/3,1/3) + set click here to show and hide
5	0.42797	0.44533	0.77023
6	0.35070	0.11200	0.93690

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	6	m_x,m_y,m_z	-1.3(2)	0.0	4.7(2)	4.88

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