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	{ 2₀₁₀ \| 0 }
3	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
4	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,-y,z,+1	{ m₀₁₀ \| 0 }
7	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
8	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
12	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
15	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
16	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(0,1/2,1/2)' + set click here to show and hide
17	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
18	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
19	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
20	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
21	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
22	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
23	-x,y,z,-1	{ m'₁₀₀ \| 0 }
24	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(1/2,0,1/2)' + set click here to show and hide
25	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
26	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
27	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
28	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
29	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
30	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
31	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
32	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

[Hide]

Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	-x,y,z,+1	m₁₀₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	x,-y,-z,-1	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	-x,y,z,-1	m'₁₀₀
16	x,y,-z,-1	m'₀₀₁

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	0,m_y,0	0.0	2.4(2)	0.0	2.40
Mn2	Mn	0.25000	0.25000	0.25000	8	m_x,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.38290	0.38290	0.38290	32
Ni2_1	Ni	0.00000	0.17450	0.17450	16
Ni2_2	Ni	0.17450	0.00000	0.17450	16
Ni2_3	Ni	0.17450	0.17450	0.00000	16
P1_1	P	0.26470	0.00000	0.00000	8
P1_2	P	0.00000	0.26470	0.00000	8
P1_3	P	0.00000	0.00000	0.26470	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	2.40000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,m_y,0	0.00000	2.40000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	0,-m_y,0	0.00000	-2.40000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000	0,-m_y,0	0.00000	-2.40000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,0,0	0.00000	0.00000	0.00000
2	0.75000	0.75000	0.75000	m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.25000	m_x,0,0	0.00000	0.00000	0.00000
4	0.25000	0.25000	0.75000	m_x,0,0	0.00000	0.00000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.25000	0.75000	0.75000	-m_x,0,0	0.00000	0.00000	0.00000
6	0.75000	0.25000	0.25000	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.75000	0.25000	0.75000	-m_x,0,0	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.25000	-m_x,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.38290	0.38290	0.38290
2	0.61710	0.38290	0.61710
3	0.38290	0.11710	0.11710
4	0.61710	0.11710	0.88290
5	0.61710	0.61710	0.61710
6	0.38290	0.61710	0.38290
7	0.61710	0.88290	0.88290
8	0.38290	0.88290	0.11710
(1/2,1/2,0) + set click here to show and hide
9	0.88290	0.88290	0.38290
10	0.11710	0.88290	0.61710
11	0.88290	0.61710	0.11710
12	0.11710	0.61710	0.88290
13	0.11710	0.11710	0.61710
14	0.88290	0.11710	0.38290
15	0.11710	0.38290	0.88290
16	0.88290	0.38290	0.11710
(0,1/2,1/2)' + set click here to show and hide
17	0.38290	0.88290	0.88290
18	0.61710	0.88290	0.11710
19	0.38290	0.61710	0.61710
20	0.61710	0.61710	0.38290
21	0.61710	0.11710	0.11710
22	0.38290	0.11710	0.88290
23	0.61710	0.38290	0.38290
24	0.38290	0.38290	0.61710
(1/2,0,1/2)' + set click here to show and hide
25	0.88290	0.38290	0.88290
26	0.11710	0.38290	0.11710
27	0.88290	0.11710	0.61710
28	0.11710	0.11710	0.38290
29	0.11710	0.61710	0.11710
30	0.88290	0.61710	0.88290
31	0.11710	0.88290	0.38290
32	0.88290	0.88290	0.61710

Set of atoms in the unit cell related by symmetry with the atom Ni2_1:

Atom	x	y	z
1	0.00000	0.17450	0.17450
2	0.00000	0.17450	0.82550
3	0.00000	0.32550	0.32550
4	0.00000	0.32550	0.67450
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.67450	0.17450
6	0.50000	0.67450	0.82550
7	0.50000	0.82550	0.32550
8	0.50000	0.82550	0.67450
(0,1/2,1/2)' + set click here to show and hide
9	0.00000	0.67450	0.67450
10	0.00000	0.67450	0.32550
11	0.00000	0.82550	0.82550
12	0.00000	0.82550	0.17450
(1/2,0,1/2)' + set click here to show and hide
13	0.50000	0.17450	0.67450
14	0.50000	0.17450	0.32550
15	0.50000	0.32550	0.82550
16	0.50000	0.32550	0.17450

Set of atoms in the unit cell related by symmetry with the atom Ni2_2:

Atom	x	y	z
1	0.17450	0.00000	0.17450
2	0.82550	0.00000	0.82550
3	0.17450	0.50000	0.32550
4	0.82550	0.50000	0.67450
(1/2,1/2,0) + set click here to show and hide
5	0.67450	0.50000	0.17450
6	0.32550	0.50000	0.82550
7	0.67450	0.00000	0.32550
8	0.32550	0.00000	0.67450
(0,1/2,1/2)' + set click here to show and hide
9	0.17450	0.50000	0.67450
10	0.82550	0.50000	0.32550
11	0.17450	0.00000	0.82550
12	0.82550	0.00000	0.17450
(1/2,0,1/2)' + set click here to show and hide
13	0.67450	0.00000	0.67450
14	0.32550	0.00000	0.32550
15	0.67450	0.50000	0.82550
16	0.32550	0.50000	0.17450

Set of atoms in the unit cell related by symmetry with the atom Ni2_3:

Atom	x	y	z
1	0.17450	0.17450	0.00000
2	0.82550	0.17450	0.00000
3	0.17450	0.32550	0.50000
4	0.82550	0.32550	0.50000
(1/2,1/2,0) + set click here to show and hide
5	0.67450	0.67450	0.00000
6	0.32550	0.67450	0.00000
7	0.67450	0.82550	0.50000
8	0.32550	0.82550	0.50000
(0,1/2,1/2)' + set click here to show and hide
9	0.17450	0.67450	0.50000
10	0.82550	0.67450	0.50000
11	0.17450	0.82550	0.00000
12	0.82550	0.82550	0.00000
(1/2,0,1/2)' + set click here to show and hide
13	0.67450	0.17450	0.50000
14	0.32550	0.17450	0.50000
15	0.67450	0.32550	0.00000
16	0.32550	0.32550	0.00000

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.26470	0.00000	0.00000
2	0.73530	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.76470	0.50000	0.00000
4	0.23530	0.50000	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.26470	0.50000	0.50000
6	0.73530	0.50000	0.50000
(1/2,0,1/2)' + set click here to show and hide
7	0.76470	0.00000	0.50000
8	0.23530	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.00000	0.26470	0.00000
2	0.00000	0.23530	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.76470	0.00000
4	0.50000	0.73530	0.50000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.76470	0.50000
6	0.00000	0.73530	0.00000
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.26470	0.50000
8	0.50000	0.23530	0.00000

Set of atoms in the unit cell related by symmetry with the atom P1_3:

Atom	x	y	z
1	0.00000	0.00000	0.26470
2	0.00000	0.00000	0.73530
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.26470
4	0.50000	0.50000	0.73530
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.76470
6	0.00000	0.50000	0.23530
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.00000	0.76470
8	0.50000	0.00000	0.23530

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	4	0,m_y,0	0.0	2.4(2)	0.0	2.40
Mn2	Mn	0.25000	0.25000	0.25000	8	m_x,0,0	0.0	0.0	0.0	0.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX5+	6	2	special	primary	2

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

Mn₃Ni₂₀P₆ (#1.145)

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

Mn3Ni20P6 (#1.145)

Mn₃Ni₂₀P₆ (#1.145)