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\|
Ho1	Ho	0.25000	0.00000	0.10125	16	m_x,0,m_z	0.12	0.0	9.06	9.06
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.58	0.0	-1.26	1.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.250000	0.50000	0.00000	8
O1	O	0.00000	0.24140	0.07475	32
O2	O	0.25000	0.00000	0.00000	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 Ho1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10125	m_x,0,m_z	0.12000	0.00000	9.06000
2	0.75000	0.00000	0.39875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85125	m_x,0,m_z	0.12000	0.00000	9.06000
4	0.00000	0.50000	0.14875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60125	m_x,0,m_z	0.12000	0.00000	9.06000
6	0.25000	0.00000	0.89875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35125	m_x,0,m_z	0.12000	0.00000	9.06000
8	0.50000	0.50000	0.64875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
10	0.25000	0.00000	0.39875	m_x,0,m_z	0.12000	0.00000	9.06000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
12	0.50000	0.50000	0.14875	m_x,0,m_z	0.12000	0.00000	9.06000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
14	0.00000	0.50000	0.64875	m_x,0,m_z	0.12000	0.00000	9.06000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
16	0.75000	0.00000	0.89875	m_x,0,m_z	0.12000	0.00000	9.06000

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	0.58000	0.00000	-1.26000
(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	0.58000	0.00000	-1.26000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.58000	0.00000	-1.26000
(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	0.58000	0.00000	-1.26000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.58000	0.00000	1.26000
(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	-0.58000	0.00000	1.26000
(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	-0.58000	0.00000	1.26000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.58000	0.00000	1.26000

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	0.07475
2	0.00000	0.24140	0.42525
3	0.00000	0.75860	0.92525
4	0.00000	0.75860	0.57475
(1/4,1/2,3/4) + set click here to show and hide
5	0.25000	0.74140	0.82475
6	0.25000	0.74140	0.17525
7	0.25000	0.25860	0.67525
8	0.25000	0.25860	0.32475
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.24140	0.57475
10	0.50000	0.24140	0.92525
11	0.50000	0.75860	0.42525
12	0.50000	0.75860	0.07475
(3/4,1/2,1/4) + set click here to show and hide
13	0.75000	0.74140	0.32475
14	0.75000	0.74140	0.67525
15	0.75000	0.25860	0.17525
16	0.75000	0.25860	0.82475
(1/2,0,0)' + set click here to show and hide
17	0.50000	0.24140	0.07475
18	0.50000	0.24140	0.42525
19	0.50000	0.75860	0.92525
20	0.50000	0.75860	0.57475
(3/4,1/2,3/4)' + set click here to show and hide
21	0.75000	0.74140	0.82475
22	0.75000	0.74140	0.17525
23	0.75000	0.25860	0.67525
24	0.75000	0.25860	0.32475
(1/4,1/2,1/4)' + set click here to show and hide
25	0.25000	0.74140	0.32475
26	0.25000	0.74140	0.67525
27	0.25000	0.25860	0.17525
28	0.25000	0.25860	0.82475
(0,0,1/2)' + set click here to show and hide
29	0.00000	0.24140	0.57475
30	0.00000	0.24140	0.92525
31	0.00000	0.75860	0.42525
32	0.00000	0.75860	0.07475

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

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

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.25000	0.00000	0.10125	16	m_x,0,m_z	0.12	0.0	9.06	9.06
Ni1	Ni	0.00000	0.00000	0.00000	8	m_x,0,m_z	0.58	0.0	-1.26	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 Ho1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.10125	m_x,0,m_z	0.12000	0.00000	9.06000
2	0.75000	0.00000	0.39875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/4,1/2,3/4) + set click here to show and hide
3	0.50000	0.50000	0.85125	m_x,0,m_z	0.12000	0.00000	9.06000
4	0.00000	0.50000	0.14875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.60125	m_x,0,m_z	0.12000	0.00000	9.06000
6	0.25000	0.00000	0.89875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(3/4,1/2,1/4) + set click here to show and hide
7	0.00000	0.50000	0.35125	m_x,0,m_z	0.12000	0.00000	9.06000
8	0.50000	0.50000	0.64875	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
(1/2,0,0)' + set click here to show and hide
9	0.75000	0.00000	0.10125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
10	0.25000	0.00000	0.39875	m_x,0,m_z	0.12000	0.00000	9.06000
(3/4,1/2,3/4)' + set click here to show and hide
11	0.00000	0.50000	0.85125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
12	0.50000	0.50000	0.14875	m_x,0,m_z	0.12000	0.00000	9.06000
(1/4,1/2,1/4)' + set click here to show and hide
13	0.50000	0.50000	0.35125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
14	0.00000	0.50000	0.64875	m_x,0,m_z	0.12000	0.00000	9.06000
(0,0,1/2)' + set click here to show and hide
15	0.25000	0.00000	0.60125	-m_x,0,-m_z	-0.12000	0.00000	-9.06000
16	0.75000	0.00000	0.89875	m_x,0,m_z	0.12000	0.00000	9.06000

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	0.58000	0.00000	-1.26000
(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	0.58000	0.00000	-1.26000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	0.58000	0.00000	-1.26000
(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	0.58000	0.00000	-1.26000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	-0.58000	0.00000	1.26000
(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	-0.58000	0.00000	1.26000
(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	-0.58000	0.00000	1.26000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,0,-m_z	-0.58000	0.00000	1.26000

[Hide]

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

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

Ho₂BaNiO₅ (#1.14)

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

Ho2BaNiO5 (#1.14)

Ho₂BaNiO₅ (#1.14)