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	{ 2₀₀₁ \| 0 1/2 1/2 }
(1/4,3/4,0) + set click here to show and hide
3	x+1/4,y+3/4,z,+1	{ 1 \| 1/4 3/4 0 }
4	-x+1/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 1/4 1/2 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
(3/4,1/4,0) + set click here to show and hide
7	x+3/4,y+1/4,z,+1	{ 1 \| 3/4 1/4 0 }
8	-x+3/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 3/4 1/2 }
(1/4,1/4,0)' + set click here to show and hide
9	x+1/4,y+1/4,z,-1	{ 1' \| 1/4 1/4 0 }
10	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
(1/2,0,0)' + set click here to show and hide
11	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
12	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
(3/4,3/4,0)' + set click here to show and hide
13	x+3/4,y+3/4,z,-1	{ 1' \| 3/4 3/4 0 }
14	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
(0,1/2,0)' + set click here to show and hide
15	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
16	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-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\|
Ni1	Ni2+	0.00000	0.20700	0.00000	16	m_x,m_y,m_z	0.0	2.	0.0	2.00

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Ba1	Ba	0.07350	0.96300	16
F1	F	0.23750	0.28700	16
F2	F	0.15000	0.20100	16
F3	F	0.16450	0.74500	16
F4	F	0.45850	0.02300	16

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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.20700	0.00000	m_x,m_y,m_z	0.00000	2.00000	0.00000
2	0.00000	0.29300	0.50000	-m_x,-m_y,m_z	0.00000	-2.00000	0.00000
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.95700	0.00000	m_x,m_y,m_z	0.00000	2.00000	0.00000
4	0.25000	0.04300	0.50000	-m_x,-m_y,m_z	0.00000	-2.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.70700	0.00000	m_x,m_y,m_z	0.00000	2.00000	0.00000
6	0.50000	0.79300	0.50000	-m_x,-m_y,m_z	0.00000	-2.00000	0.00000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.45700	0.00000	m_x,m_y,m_z	0.00000	2.00000	0.00000
8	0.75000	0.54300	0.50000	-m_x,-m_y,m_z	0.00000	-2.00000	0.00000
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.45700	0.00000	-m_x,-m_y,-m_z	0.00000	-2.00000	0.00000
10	0.25000	0.54300	0.50000	m_x,m_y,-m_z	0.00000	2.00000	0.00000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.20700	0.00000	-m_x,-m_y,-m_z	0.00000	-2.00000	0.00000
12	0.50000	0.29300	0.50000	m_x,m_y,-m_z	0.00000	2.00000	0.00000
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.95700	0.00000	-m_x,-m_y,-m_z	0.00000	-2.00000	0.00000
14	0.75000	0.04300	0.50000	m_x,m_y,-m_z	0.00000	2.00000	0.00000
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.70700	0.00000	-m_x,-m_y,-m_z	0.00000	-2.00000	0.00000
16	0.00000	0.79300	0.50000	m_x,m_y,-m_z	0.00000	2.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.07350	0.96300
2	0.00000	0.42650	0.46300
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.82350	0.96300
4	0.25000	0.17650	0.46300
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.57350	0.96300
6	0.50000	0.92650	0.46300
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.32350	0.96300
8	0.75000	0.67650	0.46300
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.32350	0.96300
10	0.25000	0.67650	0.46300
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.07350	0.96300
12	0.50000	0.42650	0.46300
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.82350	0.96300
14	0.75000	0.17650	0.46300
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.57350	0.96300
16	0.00000	0.92650	0.46300

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.00000	0.23750	0.28700
2	0.00000	0.26250	0.78700
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.98750	0.28700
4	0.25000	0.01250	0.78700
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.73750	0.28700
6	0.50000	0.76250	0.78700
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.48750	0.28700
8	0.75000	0.51250	0.78700
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.48750	0.28700
10	0.25000	0.51250	0.78700
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.23750	0.28700
12	0.50000	0.26250	0.78700
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.98750	0.28700
14	0.75000	0.01250	0.78700
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.73750	0.28700
16	0.00000	0.76250	0.78700

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.00000	0.15000	0.20100
2	0.00000	0.35000	0.70100
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.90000	0.20100
4	0.25000	0.10000	0.70100
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.65000	0.20100
6	0.50000	0.85000	0.70100
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.40000	0.20100
8	0.75000	0.60000	0.70100
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.40000	0.20100
10	0.25000	0.60000	0.70100
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.15000	0.20100
12	0.50000	0.35000	0.70100
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.90000	0.20100
14	0.75000	0.10000	0.70100
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.65000	0.20100
16	0.00000	0.85000	0.70100

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.00000	0.16450	0.74500
2	0.00000	0.33550	0.24500
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.91450	0.74500
4	0.25000	0.08550	0.24500
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.66450	0.74500
6	0.50000	0.83550	0.24500
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.41450	0.74500
8	0.75000	0.58550	0.24500
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.41450	0.74500
10	0.25000	0.58550	0.24500
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.16450	0.74500
12	0.50000	0.33550	0.24500
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.91450	0.74500
14	0.75000	0.08550	0.24500
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.66450	0.74500
16	0.00000	0.83550	0.24500

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.00000	0.45850	0.02300
2	0.00000	0.04150	0.52300
(1/4,3/4,0) + set click here to show and hide
3	0.25000	0.20850	0.02300
4	0.25000	0.79150	0.52300
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.95850	0.02300
6	0.50000	0.54150	0.52300
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.70850	0.02300
8	0.75000	0.29150	0.52300
(1/4,1/4,0)' + set click here to show and hide
9	0.25000	0.70850	0.02300
10	0.25000	0.29150	0.52300
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.45850	0.02300
12	0.50000	0.04150	0.52300
(3/4,3/4,0)' + set click here to show and hide
13	0.75000	0.20850	0.02300
14	0.75000	0.79150	0.52300
(0,1/2,0)' + set click here to show and hide
15	0.00000	0.95850	0.02300
16	0.00000	0.54150	0.52300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni2+	0.00000	0.20700	0.00000	16	m_x,m_y,m_z	0.0	2.	0.0	2.00

label	dim. small irrep	dim. full irrep	action
mS2	1	2	primary

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