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,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
5	-y,-x,-z+1/2,+1	{ 2_1-10 \| 0 0 1/2 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
8	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
11	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
12	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
13	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
14	x,y,-z,+1	{ m₀₀₁ \| 0 }
15	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
16	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 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	-y,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 0 1/2 1/2 }
19	y,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 0 1/2 1/2 }
20	y,x+1/2,-z,+1	{ 2₁₁₀ \| 0 1/2 0 }
21	-y,-x+1/2,-z,+1	{ 2_1-10 \| 0 1/2 0 }
22	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
23	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
24	x,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
25	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
26	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
27	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
28	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
29	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
30	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
31	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
32	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	-y+1/2,x,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 0 1/2 }
35	y+1/2,-x,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 0 1/2 }
36	y+1/2,x,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
37	-y+1/2,-x,-z,+1	{ 2_1-10 \| 1/2 0 0 }
38	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
39	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
40	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
41	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
42	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
43	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
44	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
45	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
46	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
47	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
48	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	-y+1/2,x+1/2,z,+1	{ 4⁺₀₀₁ \| 1/2 1/2 0 }
51	y+1/2,-x+1/2,z,+1	{ 4^-₀₀₁ \| 1/2 1/2 0 }
52	y+1/2,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 }
53	-y+1/2,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 1/2 1/2 1/2 }
54	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
55	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
56	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
57	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
58	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
59	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
60	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
61	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
62	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
63	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
64	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
65	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
66	-y,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 0 1/2 }
67	y,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 0 0 1/2 }
68	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
69	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
70	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
71	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
72	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
73	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
74	y,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 0 1/2 }
75	-y,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 0 0 1/2 }
76	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
77	y,x,z,-1	{ m'_1-10 \| 0 }
78	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
79	x,-y,z,-1	{ m'₀₁₀ \| 0 }
80	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(0,1/2,0)' + set click here to show and hide
81	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
82	-y,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 0 1/2 0 }
83	y,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 0 1/2 0 }
84	y,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 0 1/2 1/2 }
85	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
86	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
87	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
88	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
89	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
90	y,-x+1/2,-z,-1	{ -4'⁺₀₀₁ \| 0 1/2 0 }
91	-y,x+1/2,-z,-1	{ -4'^-₀₀₁ \| 0 1/2 0 }
92	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
93	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
94	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
95	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
96	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
97	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
98	-y+1/2,x,z,-1	{ 4'⁺₀₀₁ \| 1/2 0 0 }
99	y+1/2,-x,z,-1	{ 4'^-₀₀₁ \| 1/2 0 0 }
100	y+1/2,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 0 1/2 }
101	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
102	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
103	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
104	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
105	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
106	y+1/2,-x,-z,-1	{ -4'⁺₀₀₁ \| 1/2 0 0 }
107	-y+1/2,x,-z,-1	{ -4'^-₀₀₁ \| 1/2 0 0 }
108	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
109	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
110	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }
111	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
112	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
113	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
114	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
115	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
116	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
117	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
118	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
119	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
120	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
121	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
122	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
123	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
124	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
125	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
126	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
127	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
128	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 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	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-y,-x,-z,+1	2_1-10
6	-x,-y,z,+1	2₀₀₁
7	-x,y,-z,+1	2₀₁₀
8	x,-y,-z,+1	2₁₀₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	-y,-x,z,+1	m₁₁₀
13	y,x,z,+1	m_1-10
14	x,y,-z,+1	m₀₀₁
15	x,-y,z,+1	m₀₁₀
16	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	y,x,-z,-1	2'₁₁₀
21	-y,-x,-z,-1	2'_1-10
22	-x,-y,z,-1	2'₀₀₁
23	-x,y,-z,-1	2'₀₁₀
24	x,-y,-z,-1	2'₁₀₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-y,-x,z,-1	m'₁₁₀
29	y,x,z,-1	m'_1-10
30	x,y,-z,-1	m'₀₀₁
31	x,-y,z,-1	m'₀₁₀
32	-x,y,z,-1	m'₁₀₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	2.22	2.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.25000	0.25000	0.25000	8
F1_1	F	0.25000	0.00000	0.00000	16
F1_2	F	0.00000	0.00000	0.25000	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 Ni1:

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	2.22000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	2.22000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	2.22000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.22000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-2.22000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-2.22000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-2.22000
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-2.22000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

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

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.25000	0.00000	0.00000
2	0.00000	0.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.50000
4	0.00000	0.75000	0.50000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.50000
6	0.50000	0.25000	0.50000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.00000
8	0.50000	0.75000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.00000	0.50000
10	0.00000	0.25000	0.50000
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.50000	0.00000
12	0.00000	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.00000	0.00000
14	0.50000	0.25000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.50000	0.50000
16	0.50000	0.75000	0.50000

Set of atoms in the unit cell related by symmetry with the atom F1_2:

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

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	2.22	2.22

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR4+	3	3	special	primary	1

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

KNiF₃ (#1.250)

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

KNiF3 (#1.250)

KNiF₃ (#1.250)