MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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_y	\|M\|
Ni1_1	Ni	0.925	0.25	0.597	4	0,m_y,0	0.87(3)	0.87
Ni1_2	Ni	0.925	0.25	0.097	4	0,m_y,0	0.16(4)	0.16
Ni1_3	Ni	0.327	0.25	0.403	4	0,m_y,0	0.16(4)	0.16
Ni1_4	Ni	0.327	0.25	0.903	4	0,m_y,0	0.87(3)	0.87

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
La1_1	La	0.3742	0.75	0.5	4
La1_2	La	0.3742	0.75	0	4
La2_1	La	0.718601	0.25	0.680181	4
La2_2	La	0.46158	0.75	0.680181	4
La2_3	La	0.2186	0.25	0.180181	4
La2_4	La	0.46158	0.75	0.180181	4
O1_1	O	0.600635	0.75	0.5	4
O1_2	O	0.100635	0.75	0	4
O2_1	O	0.29423	0	0.58846	8
O2_2	O	0.29423	0	0.08846	8
O3_1	O	0.552855	0.5	0.60571	8
O3_2	O	0.052855	0.5	0.10571	8
O4_1	O	0.74598	0.75	0.70459	4
O4_2	O	0.45861	0.25	0.70459	4
O4_3	O	0.24598	0.75	0.20459	4
O4_4	O	0.45861	0.25	0.20459	4

[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 Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.92500	0.25000	0.59700	0,m_y,0	0.87000
2	0.07500	0.75000	0.40300	0,m_y,0	0.87000
3	0.42500	0.25000	0.59700	0,-m_y,0	-0.87000
4	0.57500	0.75000	0.40300	0,-m_y,0	-0.87000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.92500	0.25000	0.09700	0,m_y,0	0.16000
2	0.07500	0.75000	0.90300	0,m_y,0	0.16000
3	0.42500	0.25000	0.09700	0,-m_y,0	-0.16000
4	0.57500	0.75000	0.90300	0,-m_y,0	-0.16000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_3:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.32700	0.25000	0.40300	0,m_y,0	0.16000
2	0.67300	0.75000	0.59700	0,m_y,0	0.16000
3	0.82700	0.25000	0.40300	0,-m_y,0	-0.16000
4	0.17300	0.75000	0.59700	0,-m_y,0	-0.16000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_4:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.32700	0.25000	0.90300	0,m_y,0	0.87000
2	0.67300	0.75000	0.09700	0,m_y,0	0.87000
3	0.82700	0.25000	0.90300	0,-m_y,0	-0.87000
4	0.17300	0.75000	0.09700	0,-m_y,0	-0.87000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.37420	0.75000	0.50000
2	0.62580	0.25000	0.50000
3	0.87420	0.75000	0.50000
4	0.12580	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y
1	0.37420	0.75000
2	0.62580	0.25000
3	0.87420	0.75000
4	0.12580	0.25000

Set of atoms in the unit cell related by symmetry with the atom La2_1:

Atom	x	y	z
1	0.71860	0.25000	0.68018
2	0.28140	0.75000	0.31982
3	0.21860	0.25000	0.68018
4	0.78140	0.75000	0.31982

Set of atoms in the unit cell related by symmetry with the atom La2_2:

Atom	x	y	z
1	0.46158	0.75000	0.68018
2	0.53842	0.25000	0.31982
3	0.96158	0.75000	0.68018
4	0.03842	0.25000	0.31982

Set of atoms in the unit cell related by symmetry with the atom La2_3:

Atom	x	y	z
1	0.21860	0.25000	0.18018
2	0.78140	0.75000	0.81982
3	0.71860	0.25000	0.18018
4	0.28140	0.75000	0.81982

Set of atoms in the unit cell related by symmetry with the atom La2_4:

Atom	x	y	z
1	0.46158	0.75000	0.18018
2	0.53842	0.25000	0.81982
3	0.96158	0.75000	0.18018
4	0.03842	0.25000	0.81982

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.60064	0.75000	0.50000
2	0.39936	0.25000	0.50000
3	0.10064	0.75000	0.50000
4	0.89937	0.25000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y
1	0.10064	0.75000
2	0.89936	0.25000
3	0.60064	0.75000
4	0.39937	0.25000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.29423	0.00000	0.58846
2	0.70577	0.50000	0.41154
3	0.70577	0.00000	0.41154
4	0.29423	0.50000	0.58846
5	0.79423	0.00000	0.58846
6	0.20577	0.50000	0.41154
7	0.20577	0.00000	0.41154
8	0.79423	0.50000	0.58846

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.29423	0.00000	0.08846
2	0.70577	0.50000	0.91154
3	0.70577	0.00000	0.91154
4	0.29423	0.50000	0.08846
5	0.79423	0.00000	0.08846
6	0.20577	0.50000	0.91154
7	0.20577	0.00000	0.91154
8	0.79423	0.50000	0.08846

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.55285	0.50000	0.60571
2	0.44715	0.00000	0.39429
3	0.44715	0.50000	0.39429
4	0.55285	0.00000	0.60571
5	0.05286	0.50000	0.60571
6	0.94715	0.00000	0.39429
7	0.94715	0.50000	0.39429
8	0.05286	0.00000	0.60571

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.05285	0.50000	0.10571
2	0.94715	0.00000	0.89429
3	0.94715	0.50000	0.89429
4	0.05285	0.00000	0.10571
5	0.55286	0.50000	0.10571
6	0.44715	0.00000	0.89429
7	0.44715	0.50000	0.89429
8	0.55286	0.00000	0.10571

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.74598	0.75000	0.70459
2	0.25402	0.25000	0.29541
3	0.24598	0.75000	0.70459
4	0.75402	0.25000	0.29541

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.45861	0.25000	0.70459
2	0.54139	0.75000	0.29541
3	0.95861	0.25000	0.70459
4	0.04139	0.75000	0.29541

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.24598	0.75000	0.20459
2	0.75402	0.25000	0.79541
3	0.74598	0.75000	0.20459
4	0.25402	0.25000	0.79541

Set of atoms in the unit cell related by symmetry with the atom O4_4:

Atom	x	y	z
1	0.45861	0.25000	0.20459
2	0.54139	0.75000	0.79541
3	0.95861	0.25000	0.20459
4	0.04139	0.75000	0.79541

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Ni1_1	Ni	0.925	0.25	0.597	4	0,m_y,0	0.87(3)	0.87
Ni1_2	Ni	0.925	0.25	0.097	4	0,m_y,0	0.16(4)	0.16
Ni1_3	Ni	0.327	0.25	0.403	4	0,m_y,0	0.16(4)	0.16
Ni1_4	Ni	0.327	0.25	0.903	4	0,m_y,0	0.87(3)	0.87

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. small irrep	dim. full irrep	action	number of modes
mS1+	1	2	primary	4

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

La₃Ni₂O₇ (#1.890)

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

La3Ni2O7 (#1.890)

La₃Ni₂O₇ (#1.890)