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+1/3,-2x+y+1/3,-z+2/3,+1	{ 2₀₁₀ \| 1/3 1/3 2/3 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	x+1/3,2x-y+1/3,z+1/6,+1	{ m₀₁₀ \| 1/3 1/3 1/6 }
(1/6,2/3,5/6) + set click here to show and hide
5	x+1/6,y+2/3,z+5/6,+1	{ 1 \| 1/6 2/3 5/6 }
6	-x+1/2,-2x+y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
7	-x+1/6,-y+2/3,-z+1/3,+1	{ -1 \| 1/6 2/3 1/3 }
8	x+1/2,2x-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
(1/3,1/3,2/3) + set click here to show and hide
9	x+1/3,y+1/3,z+2/3,+1	{ 1 \| 1/3 1/3 2/3 }
10	-x+2/3,-2x+y+2/3,-z+1/3,+1	{ 2₀₁₀ \| 2/3 2/3 1/3 }
11	-x+1/3,-y+1/3,-z+1/6,+1	{ -1 \| 1/3 1/3 1/6 }
12	x+2/3,2x-y+2/3,z+5/6,+1	{ m₀₁₀ \| 2/3 2/3 5/6 }
(1/2,0,1/2) + set click here to show and hide
13	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
14	-x+5/6,-2x+y+1/3,-z+1/6,+1	{ 2₀₁₀ \| 5/6 1/3 1/6 }
15	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
16	x+5/6,2x-y+1/3,z+2/3,+1	{ m₀₁₀ \| 5/6 1/3 2/3 }
(2/3,2/3,1/3) + set click here to show and hide
17	x+2/3,y+2/3,z+1/3,+1	{ 1 \| 2/3 2/3 1/3 }
18	-x,-2x+y,-z,+1	{ 2₀₁₀ \| 0 }
19	-x+2/3,-y+2/3,-z+5/6,+1	{ -1 \| 2/3 2/3 5/6 }
20	x,2x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(5/6,1/3,1/6) + set click here to show and hide
21	x+5/6,y+1/3,z+1/6,+1	{ 1 \| 5/6 1/3 1/6 }
22	-x+1/6,-2x+y+2/3,-z+5/6,+1	{ 2₀₁₀ \| 1/6 2/3 5/6 }
23	-x+5/6,-y+1/3,-z+2/3,+1	{ -1 \| 5/6 1/3 2/3 }
24	x+1/6,2x-y+2/3,z+1/3,+1	{ m₀₁₀ \| 1/6 2/3 1/3 }
(1/3,1/3,1/6)' + set click here to show and hide
25	x+1/3,y+1/3,z+1/6,-1	{ 1' \| 1/3 1/3 1/6 }
26	-x+2/3,-2x+y+2/3,-z+5/6,-1	{ 2'₀₁₀ \| 2/3 2/3 5/6 }
27	-x+1/3,-y+1/3,-z+2/3,-1	{ -1' \| 1/3 1/3 2/3 }
28	x+2/3,2x-y+2/3,z+1/3,-1	{ m'₀₁₀ \| 2/3 2/3 1/3 }
(1/2,0,0)' + set click here to show and hide
29	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
30	-x+5/6,-2x+y+1/3,-z+2/3,-1	{ 2'₀₁₀ \| 5/6 1/3 2/3 }
31	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
32	x+5/6,2x-y+1/3,z+1/6,-1	{ m'₀₁₀ \| 5/6 1/3 1/6 }
(2/3,2/3,5/6)' + set click here to show and hide
33	x+2/3,y+2/3,z+5/6,-1	{ 1' \| 2/3 2/3 5/6 }
34	-x,-2x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
35	-x+2/3,-y+2/3,-z+1/3,-1	{ -1' \| 2/3 2/3 1/3 }
36	x,2x-y,z,-1	{ m'₀₁₀ \| 0 }
(5/6,1/3,2/3)' + set click here to show and hide
37	x+5/6,y+1/3,z+2/3,-1	{ 1' \| 5/6 1/3 2/3 }
38	-x+1/6,-2x+y+2/3,-z+1/3,-1	{ 2'₀₁₀ \| 1/6 2/3 1/3 }
39	-x+5/6,-y+1/3,-z+1/6,-1	{ -1' \| 5/6 1/3 1/6 }
40	x+1/6,2x-y+2/3,z+5/6,-1	{ m'₀₁₀ \| 1/6 2/3 5/6 }
(0,0,1/2)' + set click here to show and hide
41	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
42	-x+1/3,-2x+y+1/3,-z+1/6,-1	{ 2'₀₁₀ \| 1/3 1/3 1/6 }
43	-x,-y,-z,-1	{ -1' \| 0 }
44	x+1/3,2x-y+1/3,z+2/3,-1	{ m'₀₁₀ \| 1/3 1/3 2/3 }
(1/6,2/3,1/3)' + set click here to show and hide
45	x+1/6,y+2/3,z+1/3,-1	{ 1' \| 1/6 2/3 1/3 }
46	-x+1/2,-2x+y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
47	-x+1/6,-y+2/3,-z+5/6,-1	{ -1' \| 1/6 2/3 5/6 }
48	x+1/2,2x-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-2x+y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,2x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-2x+y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,2x-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\|
Nd1	Nd	0.00000	0.00000	0.19059	24	2m_y,m_y,m_z	0.0	0.0	1.81(2)	1.81

Non-magnetic atoms:

Label	Atom type	z	Multiplicity
Zn1	Zn	0.09811	24
P1	P	0.05675	24
O1	O	0.15262	24

[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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.19059	2m_y,m_y,m_z	0.00000	0.00000	1.81000
2	0.33333	0.33333	0.47608	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.02392	2m_y,m_y,m_z	0.00000	0.00000	1.81000
4	0.50000	0.00000	0.30941	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.85726	2m_y,m_y,m_z	0.00000	0.00000	1.81000
6	0.66667	0.66667	0.14274	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.69059	2m_y,m_y,m_z	0.00000	0.00000	1.81000
8	0.83333	0.33333	0.97608	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.52392	2m_y,m_y,m_z	0.00000	0.00000	1.81000
10	0.00000	0.00000	0.80941	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.35726	2m_y,m_y,m_z	0.00000	0.00000	1.81000
12	0.16667	0.66667	0.64274	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.35726	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
14	0.66667	0.66667	0.64274	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.19059	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
16	0.83333	0.33333	0.47608	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.02392	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
18	0.00000	0.00000	0.30941	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.85726	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
20	0.16667	0.66667	0.14274	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.69059	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
22	0.33333	0.33333	0.97608	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.52392	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
24	0.50000	0.00000	0.80941	2m_y,m_y,m_z	0.00000	0.00000	1.81000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Zn1:

Atom	x	y	z
1	0.00000	0.00000	0.09811
2	0.33333	0.33333	0.56856
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.93144
4	0.50000	0.00000	0.40189
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.76478
6	0.66667	0.66667	0.23522
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.59811
8	0.83333	0.33333	0.06856
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.43144
10	0.00000	0.00000	0.90189
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.26478
12	0.16667	0.66667	0.73522
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.26478
14	0.66667	0.66667	0.73522
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.09811
16	0.83333	0.33333	0.56856
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.93144
18	0.00000	0.00000	0.40189
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.76478
20	0.16667	0.66667	0.23522
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.59811
22	0.33333	0.33333	0.06856
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.43144
24	0.50000	0.00000	0.90189

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.00000	0.00000	0.05675
2	0.33333	0.33333	0.60992
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.89008
4	0.50000	0.00000	0.44325
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.72342
6	0.66667	0.66667	0.27658
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.55675
8	0.83333	0.33333	0.10992
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.39008
10	0.00000	0.00000	0.94325
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.22342
12	0.16667	0.66667	0.77658
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.22342
14	0.66667	0.66667	0.77658
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.05675
16	0.83333	0.33333	0.60992
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.89008
18	0.00000	0.00000	0.44325
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.72342
20	0.16667	0.66667	0.27658
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.55675
22	0.33333	0.33333	0.10992
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.39008
24	0.50000	0.00000	0.94325

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

Atom	x	y	z
1	0.00000	0.00000	0.15262
2	0.33333	0.33333	0.51405
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.98595
4	0.50000	0.00000	0.34738
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.81929
6	0.66667	0.66667	0.18071
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.65262
8	0.83333	0.33333	0.01405
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.48595
10	0.00000	0.00000	0.84738
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.31929
12	0.16667	0.66667	0.68071
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.31929
14	0.66667	0.66667	0.68071
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.15262
16	0.83333	0.33333	0.51405
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.98595
18	0.00000	0.00000	0.34738
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.81929
20	0.16667	0.66667	0.18071
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.65262
22	0.33333	0.33333	0.01405
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.48595
24	0.50000	0.00000	0.84738

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.00000	0.19059	24	2m_y,m_y,m_z	0.0	0.0	1.81(2)	1.81

[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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.19059	2m_y,m_y,m_z	0.00000	0.00000	1.81000
2	0.33333	0.33333	0.47608	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/6,2/3,5/6) + set click here to show and hide
3	0.16667	0.66667	0.02392	2m_y,m_y,m_z	0.00000	0.00000	1.81000
4	0.50000	0.00000	0.30941	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/3,1/3,2/3) + set click here to show and hide
5	0.33333	0.33333	0.85726	2m_y,m_y,m_z	0.00000	0.00000	1.81000
6	0.66667	0.66667	0.14274	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/2,0,1/2) + set click here to show and hide
7	0.50000	0.00000	0.69059	2m_y,m_y,m_z	0.00000	0.00000	1.81000
8	0.83333	0.33333	0.97608	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(2/3,2/3,1/3) + set click here to show and hide
9	0.66667	0.66667	0.52392	2m_y,m_y,m_z	0.00000	0.00000	1.81000
10	0.00000	0.00000	0.80941	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(5/6,1/3,1/6) + set click here to show and hide
11	0.83333	0.33333	0.35726	2m_y,m_y,m_z	0.00000	0.00000	1.81000
12	0.16667	0.66667	0.64274	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
(1/3,1/3,1/6)' + set click here to show and hide
13	0.33333	0.33333	0.35726	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
14	0.66667	0.66667	0.64274	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.19059	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
16	0.83333	0.33333	0.47608	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(2/3,2/3,5/6)' + set click here to show and hide
17	0.66667	0.66667	0.02392	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
18	0.00000	0.00000	0.30941	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(5/6,1/3,2/3)' + set click here to show and hide
19	0.83333	0.33333	0.85726	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
20	0.16667	0.66667	0.14274	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(0,0,1/2)' + set click here to show and hide
21	0.00000	0.00000	0.69059	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
22	0.33333	0.33333	0.97608	2m_y,m_y,m_z	0.00000	0.00000	1.81000
(1/6,2/3,1/3)' + set click here to show and hide
23	0.16667	0.66667	0.52392	-2m_y,-m_y,-m_z	0.00000	0.00000	-1.81000
24	0.50000	0.00000	0.80941	2m_y,m_y,m_z	0.00000	0.00000	1.81000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mL1-	1	3	primary	2

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

NdZnPO (#1.826)