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+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
3	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
4	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
5	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
6	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
7	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
8	x,-y,z,+1	{ m₀₁₀ \| 0 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
12	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
15	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
16	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(0,1/2,1/2)' + set click here to show and hide
17	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
18	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
19	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
20	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
21	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
22	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
23	x,y,-z,-1	{ m'₀₀₁ \| 0 }
24	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
27	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
28	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
29	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
30	-x,y,z,-1	{ m'₁₀₀ \| 0 }
31	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
32	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,y,-z,+1	m₀₀₁
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,-y,z,-1	2'₀₀₁
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,y,-z,-1	m'₀₀₁
16	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.00000	0.19590	8	0,m_y,0	0.0	0.862(8)	0.0	0.86

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.00000	0.00000	0.06840	8
Bi2	Bi	0.00000	0.16150	0.31280	16
Bi3	Bi	0.00000	0.33110	0.00000	8
Ti1	Ti	0.25000	0.25000	0.40500	16
Ti2	Ti	0.00000	0.00000	0.59150	8

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 Ce1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.19590	0,m_y,0	0.00000	0.86200	0.00000
2	0.00000	0.50000	0.30410	0,-m_y,0	0.00000	-0.86200	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.69590	0,m_y,0	0.00000	0.86200	0.00000
4	0.50000	0.50000	0.80410	0,-m_y,0	0.00000	-0.86200	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.69590	0,-m_y,0	0.00000	-0.86200	0.00000
6	0.00000	0.00000	0.80410	0,m_y,0	0.00000	0.86200	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.19590	0,-m_y,0	0.00000	-0.86200	0.00000
8	0.50000	0.00000	0.30410	0,m_y,0	0.00000	0.86200	0.00000

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	0.06840
2	0.00000	0.50000	0.43160
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3	0.50000	0.00000	0.56840
4	0.50000	0.50000	0.93160
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.56840
6	0.00000	0.00000	0.93160
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.06840
8	0.50000	0.00000	0.43160

Set of atoms in the unit cell related by symmetry with the atom Bi2:

Atom	x	y	z
1	0.00000	0.16150	0.31280
2	0.00000	0.33850	0.18720
3	0.50000	0.33850	0.31280
4	0.50000	0.16150	0.18720
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.16150	0.81280
6	0.50000	0.33850	0.68720
7	0.00000	0.33850	0.81280
8	0.00000	0.16150	0.68720
(0,1/2,1/2)' + set click here to show and hide
9	0.00000	0.66150	0.81280
10	0.00000	0.83850	0.68720
11	0.50000	0.83850	0.81280
12	0.50000	0.66150	0.68720
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.66150	0.31280
14	0.50000	0.83850	0.18720
15	0.00000	0.83850	0.31280
16	0.00000	0.66150	0.18720

Set of atoms in the unit cell related by symmetry with the atom Bi3:

Atom	x	y	z
1	0.00000	0.33110	0.00000
2	0.00000	0.16890	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.33110	0.50000
4	0.50000	0.16890	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.83110	0.50000
6	0.00000	0.66890	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.83110	0.00000
8	0.50000	0.66890	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ti1:

Atom	x	y	z
1	0.25000	0.25000	0.40500
2	0.25000	0.25000	0.09500
3	0.25000	0.75000	0.09500
4	0.25000	0.75000	0.40500
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.90500
6	0.75000	0.25000	0.59500
7	0.75000	0.75000	0.59500
8	0.75000	0.75000	0.90500
(0,1/2,1/2)' + set click here to show and hide
9	0.25000	0.75000	0.90500
10	0.25000	0.75000	0.59500
11	0.25000	0.25000	0.59500
12	0.25000	0.25000	0.90500
(1/2,1/2,0)' + set click here to show and hide
13	0.75000	0.75000	0.40500
14	0.75000	0.75000	0.09500
15	0.75000	0.25000	0.09500
16	0.75000	0.25000	0.40500

Set of atoms in the unit cell related by symmetry with the atom Ti2:

Atom	x	y	z
1	0.00000	0.00000	0.59150
2	0.00000	0.50000	0.90850
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.09150
4	0.50000	0.50000	0.40850
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.09150
6	0.00000	0.00000	0.40850
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.59150
8	0.50000	0.00000	0.90850

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.00000	0.19590	8	0,m_y,0	0.0	0.862(8)	0.0	0.86

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

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