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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.25000	0.00000	0.10145	16	m_x,0,m_z	7.23(5)	0.0	0.32(6)	7.24
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	-1.38(6)	0.0	-0.18(9)	1.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.50000	0.00000	8
O1	O	0.00000	0.24140	0.07415	32
O2	O	0.00000	0.50000	0.25000	8

[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 Er1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10145	m_x,0,m_z	7.23000	0.00000	0.32000
2	0.75000	0.00000	0.39855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85145	m_x,0,m_z	7.23000	0.00000	0.32000
4	0.00000	0.50000	0.14855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60145	m_x,0,m_z	7.23000	0.00000	0.32000
6	0.25000	0.00000	0.89855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35145	m_x,0,m_z	7.23000	0.00000	0.32000
8	0.50000	0.50000	0.64855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
10	0.25000	0.00000	0.39855	m_x,0,m_z	7.23000	0.00000	0.32000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
12	0.50000	0.50000	0.14855	m_x,0,m_z	7.23000	0.00000	0.32000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
14	0.00000	0.50000	0.64855	m_x,0,m_z	7.23000	0.00000	0.32000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
16	0.75000	0.00000	0.89855	m_x,0,m_z	7.23000	0.00000	0.32000

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	0.00000	0.00000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.50000	0.25000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	1.38000	0.00000	0.18000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25000	0.50000	0.00000
(1/4,1/2,3/4) + set click here to show and hide
2	0.50000	0.00000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.50000	0.50000
(3/4,1/2,1/4) + set click here to show and hide
4	0.00000	0.00000	0.25000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.50000	0.00000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.00000	0.00000	0.75000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.50000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
8	0.25000	0.50000	0.50000

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

Atom	x	y	z
1	0.00000	0.24140	0.07415
2	0.00000	0.24140	0.42585
3	0.00000	0.75860	0.92585
4	0.00000	0.75860	0.57415
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.74140	0.82415
6	0.25000	0.74140	0.17585
7	0.25000	0.25860	0.67585
8	0.25000	0.25860	0.32415
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.24140	0.57415
10	0.50000	0.24140	0.92585
11	0.50000	0.75860	0.42585
12	0.50000	0.75860	0.07415
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.74140	0.32415
14	0.75000	0.74140	0.67585
15	0.75000	0.25860	0.17585
16	0.75000	0.25860	0.82415
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.24140	0.07415
18	0.50000	0.24140	0.42585
19	0.50000	0.75860	0.92585
20	0.50000	0.75860	0.57415
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.74140	0.82415
22	0.75000	0.74140	0.17585
23	0.75000	0.25860	0.67585
24	0.75000	0.25860	0.32415
(1/4,1/2,1/4)' + set click here to show and hide
25	0.25000	0.74140	0.32415
26	0.25000	0.74140	0.67585
27	0.25000	0.25860	0.17585
28	0.25000	0.25860	0.82415
(0,0,1/2)' + set click here to show and hide
29	0.00000	0.24140	0.57415
30	0.00000	0.24140	0.92585
31	0.00000	0.75860	0.42585
32	0.00000	0.75860	0.07415

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

Atom	x	y	z
1	0.00000	0.50000	0.25000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.50000	0.25000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.00000	0.00000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.00000	0.50000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.50000	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.25000	0.00000	0.10145	16	m_x,0,m_z	7.23(5)	0.0	0.32(6)	7.24
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	-1.38(6)	0.0	-0.18(9)	1.39

[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:

Set of atoms in the unit cell related by symmetry with the magnetic atom Er1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10145	m_x,0,m_z	7.23000	0.00000	0.32000
2	0.75000	0.00000	0.39855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85145	m_x,0,m_z	7.23000	0.00000	0.32000
4	0.00000	0.50000	0.14855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60145	m_x,0,m_z	7.23000	0.00000	0.32000
6	0.25000	0.00000	0.89855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35145	m_x,0,m_z	7.23000	0.00000	0.32000
8	0.50000	0.50000	0.64855	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
10	0.25000	0.00000	0.39855	m_x,0,m_z	7.23000	0.00000	0.32000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
12	0.50000	0.50000	0.14855	m_x,0,m_z	7.23000	0.00000	0.32000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
14	0.00000	0.50000	0.64855	m_x,0,m_z	7.23000	0.00000	0.32000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60145	-m_x,0,-m_z	-7.23000	0.00000	-0.32000
16	0.75000	0.00000	0.89855	m_x,0,m_z	7.23000	0.00000	0.32000

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	0.00000	0.00000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	-1.38000	0.00000	-0.18000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(1/4,1/2,1/4)' + set click here to show and hide
7	0.25000	0.50000	0.25000	-m_x,0,-m_z	1.38000	0.00000	0.18000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	1.38000	0.00000	0.18000

[Hide]

label	dim. small irrep	dim. full irrep	action
mR2+	1	2	primary

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

Er₂BaNiO₅ (#1.53)

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

Er2BaNiO5 (#1.53)

Er₂BaNiO₅ (#1.53)