MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/4,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/4 3/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	-x+1/4,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/4 1/4 3/4 }
(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+3/4,y+3/4,z+3/4,+1	{ m₁₀₀ \| 3/4 3/4 3/4 }
(1/2,1/2,0) + set click here to show and hide
7	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
8	-x+3/4,y+1/4,z+1/4,+1	{ m₁₀₀ \| 3/4 1/4 1/4 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	-x+1/4,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/4 1/4 1/4 }
(0,0,1/2)' + set click here to show and hide
11	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
12	-x+1/4,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/4 3/4 3/4 }
(1/2,1/2,1/2)' + set click here to show and hide
13	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
14	-x+3/4,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 3/4 1/4 3/4 }
(1/2,0,0)' + set click here to show and hide
15	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
16	-x+3/4,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 3/4 3/4 1/4 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1_1	Fe	0.24635	0.00100	0.17675	16	m_x,m_y,m_z	2.80(8)	2.80
Fe1_2	Fe	0.00365	0.99900	0.42675	16	m_x,m_y,m_z	-2.8	2.80
Fe1_3	Fe	0.75365	0.25100	0.82325	16	m_x,m_y,m_z	-2.8	2.80
Fe1_4	Fe	0.49635	0.24900	0.07325	16	m_x,m_y,m_z	-2.8	2.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.09300	0.12500	0.25850	16
Ba1_2	Ba	0.90700	0.37500	0.74150	16
Se1_1	Se	0.17750	0.12500	0.11650	16
Se1_2	Se	0.82250	0.37500	0.88350	16
Se2_1	Se	0.31450	0.12500	0.24500	16
Se2_2	Se	0.68550	0.37500	0.75500	16
Se3_1	Se	0.20100	0.12500	0.40900	16
Se3_2	Se	0.79900	0.37500	0.59100	16

[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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24635	0.00100	0.17675	m_x,m_y,m_z	2.80000	0.00000	0.00000
2	0.00365	0.75100	0.42675	m_x,-m_y,-m_z	2.80000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.24635	0.50100	0.67675	m_x,m_y,m_z	2.80000	0.00000	0.00000
4	0.00365	0.25100	0.92675	m_x,-m_y,-m_z	2.80000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.74635	0.00100	0.67675	m_x,m_y,m_z	2.80000	0.00000	0.00000
6	0.50365	0.75100	0.92675	m_x,-m_y,-m_z	2.80000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.74635	0.50100	0.17675	m_x,m_y,m_z	2.80000	0.00000	0.00000
8	0.50365	0.25100	0.42675	m_x,-m_y,-m_z	2.80000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.24635	0.50100	0.17675	-m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
10	0.00365	0.25100	0.42675	-m_x,m_y,m_z	-2.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.24635	0.00100	0.67675	-m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
12	0.00365	0.75100	0.92675	-m_x,m_y,m_z	-2.80000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.74635	0.50100	0.67675	-m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
14	0.50365	0.25100	0.92675	-m_x,m_y,m_z	-2.80000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.74635	0.00100	0.17675	-m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
16	0.50365	0.75100	0.42675	-m_x,m_y,m_z	-2.80000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00365	0.99900	0.42675	m_x,m_y,m_z	-2.80000	0.00000	0.00000
2	0.24635	0.74900	0.67675	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00365	0.49900	0.92675	m_x,m_y,m_z	-2.80000	0.00000	0.00000
4	0.24635	0.24900	0.17675	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50365	0.99900	0.92675	m_x,m_y,m_z	-2.80000	0.00000	0.00000
6	0.74635	0.74900	0.17675	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50365	0.49900	0.42675	m_x,m_y,m_z	-2.80000	0.00000	0.00000
8	0.74635	0.24900	0.67675	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.00365	0.49900	0.42675	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
10	0.24635	0.24900	0.67675	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.00365	0.99900	0.92675	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
12	0.24635	0.74900	0.17675	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50365	0.49900	0.92675	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
14	0.74635	0.24900	0.17675	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.50365	0.99900	0.42675	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
16	0.74635	0.74900	0.67675	-m_x,m_y,m_z	2.80000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75365	0.25100	0.82325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
2	0.49635	0.00100	0.07325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.75365	0.75100	0.32325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
4	0.49635	0.50100	0.57325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.25365	0.25100	0.32325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
6	0.99635	0.00100	0.57325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.25365	0.75100	0.82325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
8	0.99635	0.50100	0.07325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.75365	0.75100	0.82325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
10	0.49635	0.50100	0.07325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.75365	0.25100	0.32325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
12	0.49635	0.00100	0.57325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.25365	0.75100	0.32325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
14	0.99635	0.50100	0.57325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.25365	0.25100	0.82325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
16	0.99635	0.00100	0.07325	-m_x,m_y,m_z	2.80000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.49635	0.24900	0.07325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
2	0.75365	0.99900	0.32325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.49635	0.74900	0.57325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
4	0.75365	0.49900	0.82325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.99635	0.24900	0.57325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
6	0.25365	0.99900	0.82325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.99635	0.74900	0.07325	m_x,m_y,m_z	-2.80000	0.00000	0.00000
8	0.25365	0.49900	0.32325	m_x,-m_y,-m_z	-2.80000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.49635	0.74900	0.07325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
10	0.75365	0.49900	0.32325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.49635	0.24900	0.57325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
12	0.75365	0.99900	0.82325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.99635	0.74900	0.57325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
14	0.25365	0.49900	0.82325	-m_x,m_y,m_z	2.80000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.99635	0.24900	0.07325	-m_x,-m_y,-m_z	2.80000	0.00000	0.00000
16	0.25365	0.99900	0.32325	-m_x,m_y,m_z	2.80000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.09300	0.12500	0.25850
2	0.15700	0.87500	0.50850
(0,1/2,1/2) + set click here to show and hide
3	0.09300	0.62500	0.75850
4	0.15700	0.37500	0.00850
(1/2,0,1/2) + set click here to show and hide
5	0.59300	0.12500	0.75850
6	0.65700	0.87500	0.00850
(1/2,1/2,0) + set click here to show and hide
7	0.59300	0.62500	0.25850
8	0.65700	0.37500	0.50850
(0,1/2,0)' + set click here to show and hide
9	0.09300	0.62500	0.25850
10	0.15700	0.37500	0.50850
(0,0,1/2)' + set click here to show and hide
11	0.09300	0.12500	0.75850
12	0.15700	0.87500	0.00850
(1/2,1/2,1/2)' + set click here to show and hide
13	0.59300	0.62500	0.75850
14	0.65700	0.37500	0.00850
(1/2,0,0)' + set click here to show and hide
15	0.59300	0.12500	0.25850
16	0.65700	0.87500	0.50850

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.90700	0.37500	0.74150
2	0.34300	0.12500	0.99150
(0,1/2,1/2) + set click here to show and hide
3	0.90700	0.87500	0.24150
4	0.34300	0.62500	0.49150
(1/2,0,1/2) + set click here to show and hide
5	0.40700	0.37500	0.24150
6	0.84300	0.12500	0.49150
(1/2,1/2,0) + set click here to show and hide
7	0.40700	0.87500	0.74150
8	0.84300	0.62500	0.99150
(0,1/2,0)' + set click here to show and hide
9	0.90700	0.87500	0.74150
10	0.34300	0.62500	0.99150
(0,0,1/2)' + set click here to show and hide
11	0.90700	0.37500	0.24150
12	0.34300	0.12500	0.49150
(1/2,1/2,1/2)' + set click here to show and hide
13	0.40700	0.87500	0.24150
14	0.84300	0.62500	0.49150
(1/2,0,0)' + set click here to show and hide
15	0.40700	0.37500	0.74150
16	0.84300	0.12500	0.99150

Set of atoms in the unit cell related by symmetry with the atom Se1_1:

Atom	x	y	z
1	0.17750	0.12500	0.11650
2	0.07250	0.87500	0.36650
(0,1/2,1/2) + set click here to show and hide
3	0.17750	0.62500	0.61650
4	0.07250	0.37500	0.86650
(1/2,0,1/2) + set click here to show and hide
5	0.67750	0.12500	0.61650
6	0.57250	0.87500	0.86650
(1/2,1/2,0) + set click here to show and hide
7	0.67750	0.62500	0.11650
8	0.57250	0.37500	0.36650
(0,1/2,0)' + set click here to show and hide
9	0.17750	0.62500	0.11650
10	0.07250	0.37500	0.36650
(0,0,1/2)' + set click here to show and hide
11	0.17750	0.12500	0.61650
12	0.07250	0.87500	0.86650
(1/2,1/2,1/2)' + set click here to show and hide
13	0.67750	0.62500	0.61650
14	0.57250	0.37500	0.86650
(1/2,0,0)' + set click here to show and hide
15	0.67750	0.12500	0.11650
16	0.57250	0.87500	0.36650

Set of atoms in the unit cell related by symmetry with the atom Se1_2:

Atom	x	y	z
1	0.82250	0.37500	0.88350
2	0.42750	0.12500	0.13350
(0,1/2,1/2) + set click here to show and hide
3	0.82250	0.87500	0.38350
4	0.42750	0.62500	0.63350
(1/2,0,1/2) + set click here to show and hide
5	0.32250	0.37500	0.38350
6	0.92750	0.12500	0.63350
(1/2,1/2,0) + set click here to show and hide
7	0.32250	0.87500	0.88350
8	0.92750	0.62500	0.13350
(0,1/2,0)' + set click here to show and hide
9	0.82250	0.87500	0.88350
10	0.42750	0.62500	0.13350
(0,0,1/2)' + set click here to show and hide
11	0.82250	0.37500	0.38350
12	0.42750	0.12500	0.63350
(1/2,1/2,1/2)' + set click here to show and hide
13	0.32250	0.87500	0.38350
14	0.92750	0.62500	0.63350
(1/2,0,0)' + set click here to show and hide
15	0.32250	0.37500	0.88350
16	0.92750	0.12500	0.13350

Set of atoms in the unit cell related by symmetry with the atom Se2_1:

Atom	x	y	z
1	0.31450	0.12500	0.24500
2	0.93550	0.87500	0.49500
(0,1/2,1/2) + set click here to show and hide
3	0.31450	0.62500	0.74500
4	0.93550	0.37500	0.99500
(1/2,0,1/2) + set click here to show and hide
5	0.81450	0.12500	0.74500
6	0.43550	0.87500	0.99500
(1/2,1/2,0) + set click here to show and hide
7	0.81450	0.62500	0.24500
8	0.43550	0.37500	0.49500
(0,1/2,0)' + set click here to show and hide
9	0.31450	0.62500	0.24500
10	0.93550	0.37500	0.49500
(0,0,1/2)' + set click here to show and hide
11	0.31450	0.12500	0.74500
12	0.93550	0.87500	0.99500
(1/2,1/2,1/2)' + set click here to show and hide
13	0.81450	0.62500	0.74500
14	0.43550	0.37500	0.99500
(1/2,0,0)' + set click here to show and hide
15	0.81450	0.12500	0.24500
16	0.43550	0.87500	0.49500

Set of atoms in the unit cell related by symmetry with the atom Se2_2:

Atom	x	y	z
1	0.68550	0.37500	0.75500
2	0.56450	0.12500	0.00500
(0,1/2,1/2) + set click here to show and hide
3	0.68550	0.87500	0.25500
4	0.56450	0.62500	0.50500
(1/2,0,1/2) + set click here to show and hide
5	0.18550	0.37500	0.25500
6	0.06450	0.12500	0.50500
(1/2,1/2,0) + set click here to show and hide
7	0.18550	0.87500	0.75500
8	0.06450	0.62500	0.00500
(0,1/2,0)' + set click here to show and hide
9	0.68550	0.87500	0.75500
10	0.56450	0.62500	0.00500
(0,0,1/2)' + set click here to show and hide
11	0.68550	0.37500	0.25500
12	0.56450	0.12500	0.50500
(1/2,1/2,1/2)' + set click here to show and hide
13	0.18550	0.87500	0.25500
14	0.06450	0.62500	0.50500
(1/2,0,0)' + set click here to show and hide
15	0.18550	0.37500	0.75500
16	0.06450	0.12500	0.00500

Set of atoms in the unit cell related by symmetry with the atom Se3_1:

Atom	x	y	z
1	0.20100	0.12500	0.40900
2	0.04900	0.87500	0.65900
(0,1/2,1/2) + set click here to show and hide
3	0.20100	0.62500	0.90900
4	0.04900	0.37500	0.15900
(1/2,0,1/2) + set click here to show and hide
5	0.70100	0.12500	0.90900
6	0.54900	0.87500	0.15900
(1/2,1/2,0) + set click here to show and hide
7	0.70100	0.62500	0.40900
8	0.54900	0.37500	0.65900
(0,1/2,0)' + set click here to show and hide
9	0.20100	0.62500	0.40900
10	0.04900	0.37500	0.65900
(0,0,1/2)' + set click here to show and hide
11	0.20100	0.12500	0.90900
12	0.04900	0.87500	0.15900
(1/2,1/2,1/2)' + set click here to show and hide
13	0.70100	0.62500	0.90900
14	0.54900	0.37500	0.15900
(1/2,0,0)' + set click here to show and hide
15	0.70100	0.12500	0.40900
16	0.54900	0.87500	0.65900

Set of atoms in the unit cell related by symmetry with the atom Se3_2:

Atom	x	y	z
1	0.79900	0.37500	0.59100
2	0.45100	0.12500	0.84100
(0,1/2,1/2) + set click here to show and hide
3	0.79900	0.87500	0.09100
4	0.45100	0.62500	0.34100
(1/2,0,1/2) + set click here to show and hide
5	0.29900	0.37500	0.09100
6	0.95100	0.12500	0.34100
(1/2,1/2,0) + set click here to show and hide
7	0.29900	0.87500	0.59100
8	0.95100	0.62500	0.84100
(0,1/2,0)' + set click here to show and hide
9	0.79900	0.87500	0.59100
10	0.45100	0.62500	0.84100
(0,0,1/2)' + set click here to show and hide
11	0.79900	0.37500	0.09100
12	0.45100	0.12500	0.34100
(1/2,1/2,1/2)' + set click here to show and hide
13	0.29900	0.87500	0.09100
14	0.95100	0.62500	0.34100
(1/2,0,0)' + set click here to show and hide
15	0.29900	0.37500	0.59100
16	0.95100	0.12500	0.84100

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1_1	Fe	0.24635	0.00100	0.17675	16	m_x,m_y,m_z	2.80(8)	2.80
Fe1_2	Fe	0.00365	0.99900	0.42675	16	m_x,m_y,m_z	-2.8	2.80
Fe1_3	Fe	0.75365	0.25100	0.82325	16	m_x,m_y,m_z	-2.8	2.80
Fe1_4	Fe	0.49635	0.24900	0.07325	16	m_x,m_y,m_z	-2.8	2.80

[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: