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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.50000	0.00000	0.00000	9	m_x,m_y,m_z	0.85	1.51	-0.25	1.33
Ni2	Ni	0.00000	0.00000	0.00000	3	0,0,m_z	0.0	0.0	1.33	1.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
N1	N	0.00000	0.00000	0.33438	6
N2	N	0.23127	0.27504	0.11656	18
O1	O	0.32590	0.54199	0.00114	18
O2	O	0.27215	0.36713	0.19133	18
O3	O	0.09997	0.16768	0.11332	18
O4	O	0.32302	0.29130	0.04577	18

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	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.85000	1.51000	-0.25000
2	0.00000	0.50000	0.00000	-m_y,m_x-m_y,m_z	-1.51000	-0.66000	-0.25000
3	0.50000	0.50000	0.00000	-m_x+m_y,-m_x,m_z	0.66000	-0.85000	-0.25000
(1/3,2/3,2/3) + set click here to show and hide
4	0.83333	0.66667	0.66667	m_x,m_y,m_z	0.85000	1.51000	-0.25000
5	0.33333	0.16667	0.66667	-m_y,m_x-m_y,m_z	-1.51000	-0.66000	-0.25000
6	0.83333	0.16667	0.66667	-m_x+m_y,-m_x,m_z	0.66000	-0.85000	-0.25000
(2/3,1/3,1/3) + set click here to show and hide
7	0.16667	0.33333	0.33333	m_x,m_y,m_z	0.85000	1.51000	-0.25000
8	0.66667	0.83333	0.33333	-m_y,m_x-m_y,m_z	-1.51000	-0.66000	-0.25000
9	0.16667	0.83333	0.33333	-m_x+m_y,-m_x,m_z	0.66000	-0.85000	-0.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.33000
(1/3,2/3,2/3) + set click here to show and hide
2	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.33000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.33000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom N1:

Atom	x	y	z
1	0.00000	0.00000	0.33438
2	0.00000	0.00000	0.66562
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.00105
4	0.33333	0.66667	0.33229
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.66771
6	0.66667	0.33333	0.99895

Set of atoms in the unit cell related by symmetry with the atom N2:

Atom	x	y	z
1	0.23127	0.27504	0.11656
2	0.72496	0.95623	0.11656
3	0.04377	0.76873	0.11656
4	0.76873	0.72496	0.88344
5	0.27504	0.04377	0.88344
6	0.95623	0.23127	0.88344
(1/3,2/3,2/3) + set click here to show and hide
7	0.56460	0.94171	0.78323
8	0.05829	0.62290	0.78323
9	0.37710	0.43540	0.78323
10	0.10206	0.39163	0.55011
11	0.60837	0.71044	0.55011
12	0.28956	0.89794	0.55011
(2/3,1/3,1/3) + set click here to show and hide
13	0.89794	0.60837	0.44989
14	0.39163	0.28956	0.44989
15	0.71044	0.10206	0.44989
16	0.43540	0.05829	0.21677
17	0.94171	0.37710	0.21677
18	0.62290	0.56460	0.21677

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

Atom	x	y	z
1	0.32590	0.54199	0.00114
2	0.45801	0.78391	0.00114
3	0.21609	0.67410	0.00114
4	0.67410	0.45801	0.99886
5	0.54199	0.21609	0.99886
6	0.78391	0.32590	0.99886
(1/3,2/3,2/3) + set click here to show and hide
7	0.65923	0.20866	0.66781
8	0.79134	0.45058	0.66781
9	0.54942	0.34077	0.66781
10	0.00743	0.12468	0.66553
11	0.87532	0.88276	0.66553
12	0.11724	0.99257	0.66553
(2/3,1/3,1/3) + set click here to show and hide
13	0.99257	0.87532	0.33447
14	0.12468	0.11724	0.33447
15	0.88276	0.00743	0.33447
16	0.34077	0.79134	0.33219
17	0.20866	0.54942	0.33219
18	0.45058	0.65923	0.33219

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

Atom	x	y	z
1	0.27215	0.36713	0.19133
2	0.63287	0.90502	0.19133
3	0.09498	0.72785	0.19133
4	0.72785	0.63287	0.80867
5	0.36713	0.09498	0.80867
6	0.90502	0.27215	0.80867
(1/3,2/3,2/3) + set click here to show and hide
7	0.60548	0.03380	0.85800
8	0.96620	0.57169	0.85800
9	0.42831	0.39452	0.85800
10	0.06118	0.29954	0.47534
11	0.70046	0.76165	0.47534
12	0.23835	0.93882	0.47534
(2/3,1/3,1/3) + set click here to show and hide
13	0.93882	0.70046	0.52466
14	0.29954	0.23835	0.52466
15	0.76165	0.06118	0.52466
16	0.39452	0.96620	0.14200
17	0.03380	0.42831	0.14200
18	0.57169	0.60548	0.14200

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.09997	0.16768	0.11332
2	0.83232	0.93229	0.11332
3	0.06771	0.90003	0.11332
4	0.90003	0.83232	0.88668
5	0.16768	0.06771	0.88668
6	0.93229	0.09997	0.88668
(1/3,2/3,2/3) + set click here to show and hide
7	0.43330	0.83435	0.77999
8	0.16565	0.59896	0.77999
9	0.40104	0.56670	0.77999
10	0.23336	0.49899	0.55335
11	0.50101	0.73438	0.55335
12	0.26562	0.76664	0.55335
(2/3,1/3,1/3) + set click here to show and hide
13	0.76664	0.50101	0.44665
14	0.49899	0.26562	0.44665
15	0.73438	0.23336	0.44665
16	0.56670	0.16565	0.22001
17	0.83435	0.40104	0.22001
18	0.59896	0.43330	0.22001

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.32302	0.29130	0.04577
2	0.70870	0.03172	0.04577
3	0.96828	0.67698	0.04577
4	0.67698	0.70870	0.95423
5	0.29130	0.96828	0.95423
6	0.03172	0.32302	0.95423
(1/3,2/3,2/3) + set click here to show and hide
7	0.65635	0.95797	0.71244
8	0.04203	0.69839	0.71244
9	0.30161	0.34365	0.71244
10	0.01031	0.37537	0.62090
11	0.62463	0.63495	0.62090
12	0.36505	0.98969	0.62090
(2/3,1/3,1/3) + set click here to show and hide
13	0.98969	0.62463	0.37910
14	0.37537	0.36505	0.37910
15	0.63495	0.01031	0.37910
16	0.34365	0.04203	0.28756
17	0.95797	0.30161	0.28756
18	0.69839	0.65635	0.28756

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.50000	0.00000	0.00000	9	m_x,m_y,m_z	0.85	1.51	-0.25	1.33
Ni2	Ni	0.00000	0.00000	0.00000	3	0,0,m_z	0.0	0.0	1.33	1.33

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	4

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