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	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
7	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
10	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
11	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
12	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
13	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
14	y,x,z,-1	{ m'_1-10 \| 0 }
15	-x,y,z,-1	{ m'₁₀₀ \| 0 }
16	x,-y,z,-1	{ m'₀₁₀ \| 0 }
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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	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
21	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
22	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
23	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
24	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
25	y,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 0 1/2 1/2 }
26	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
27	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
28	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
29	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
30	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
31	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 1/2 }
32	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
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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	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
37	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
38	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
39	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
40	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
41	y+1/2,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 0 1/2 }
42	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
43	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
44	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
45	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
46	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
47	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
48	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
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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	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
53	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
54	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
55	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
56	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
57	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
58	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
59	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
60	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
61	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
62	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
63	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
64	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,x,-z,+1	-4^-₀₀₁
7	y,-x,-z,+1	-4⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	y,x,-z,-1	2'₁₁₀
10	-y,-x,-z,-1	2'_1-10
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-y,-x,z,-1	m'₁₁₀
14	y,x,z,-1	m'_1-10
15	-x,y,z,-1	m'₁₀₀
16	x,-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\|
Tb1_1	Tb	0.2405	0.00000	0.00000	16	0,0,m_z	0.0	0.0	4.3(3)	4.30
Tb1_2	Tb	0.00000	0.00000	0.241	8	0,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.25000	0.25000	0.25000	8
F1	F	0.1124	0.1124	0.1124	32
F2_1	F	0.50000	0.1667	0.1667	32
F2_2	F	0.1667	0.1667	0.50000	16

[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 Tb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24050	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.30000
2	0.00000	0.75950	0.00000	0,0,m_z	0.00000	0.00000	4.30000
3	0.00000	0.24050	0.00000	0,0,m_z	0.00000	0.00000	4.30000
4	0.75950	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.30000
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5	0.24050	0.50000	0.50000	0,0,m_z	0.00000	0.00000	4.30000
6	0.00000	0.25950	0.50000	0,0,m_z	0.00000	0.00000	4.30000
7	0.00000	0.74050	0.50000	0,0,m_z	0.00000	0.00000	4.30000
8	0.75950	0.50000	0.50000	0,0,m_z	0.00000	0.00000	4.30000
(1/2,0,1/2) + set click here to show and hide
9	0.74050	0.00000	0.50000	0,0,m_z	0.00000	0.00000	4.30000
10	0.50000	0.75950	0.50000	0,0,m_z	0.00000	0.00000	4.30000
11	0.50000	0.24050	0.50000	0,0,m_z	0.00000	0.00000	4.30000
12	0.25950	0.00000	0.50000	0,0,m_z	0.00000	0.00000	4.30000
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13	0.74050	0.50000	0.00000	0,0,m_z	0.00000	0.00000	4.30000
14	0.50000	0.25950	0.00000	0,0,m_z	0.00000	0.00000	4.30000
15	0.50000	0.74050	0.00000	0,0,m_z	0.00000	0.00000	4.30000
16	0.25950	0.50000	0.00000	0,0,m_z	0.00000	0.00000	4.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.24100	0,0,m_z	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.75900	0,0,m_z	0.00000	0.00000	0.00000
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3	0.00000	0.50000	0.74100	0,0,m_z	0.00000	0.00000	0.00000
4	0.00000	0.50000	0.25900	0,0,m_z	0.00000	0.00000	0.00000
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5	0.50000	0.00000	0.74100	0,0,m_z	0.00000	0.00000	0.00000
6	0.50000	0.00000	0.25900	0,0,m_z	0.00000	0.00000	0.00000
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7	0.50000	0.50000	0.24100	0,0,m_z	0.00000	0.00000	0.00000
8	0.50000	0.50000	0.75900	0,0,m_z	0.00000	0.00000	0.00000

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
2	0.25000	0.75000	0.25000
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3	0.25000	0.75000	0.75000
4	0.25000	0.25000	0.75000
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5	0.75000	0.25000	0.75000
6	0.75000	0.75000	0.75000
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7	0.75000	0.75000	0.25000
8	0.75000	0.25000	0.25000

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.11240	0.11240	0.11240
2	0.11240	0.88760	0.11240
3	0.88760	0.11240	0.11240
4	0.88760	0.88760	0.11240
5	0.88760	0.88760	0.88760
6	0.88760	0.11240	0.88760
7	0.11240	0.88760	0.88760
8	0.11240	0.11240	0.88760
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9	0.11240	0.61240	0.61240
10	0.11240	0.38760	0.61240
11	0.88760	0.61240	0.61240
12	0.88760	0.38760	0.61240
13	0.88760	0.38760	0.38760
14	0.88760	0.61240	0.38760
15	0.11240	0.38760	0.38760
16	0.11240	0.61240	0.38760
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17	0.61240	0.11240	0.61240
18	0.61240	0.88760	0.61240
19	0.38760	0.11240	0.61240
20	0.38760	0.88760	0.61240
21	0.38760	0.88760	0.38760
22	0.38760	0.11240	0.38760
23	0.61240	0.88760	0.38760
24	0.61240	0.11240	0.38760
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25	0.61240	0.61240	0.11240
26	0.61240	0.38760	0.11240
27	0.38760	0.61240	0.11240
28	0.38760	0.38760	0.11240
29	0.38760	0.38760	0.88760
30	0.38760	0.61240	0.88760
31	0.61240	0.38760	0.88760
32	0.61240	0.61240	0.88760

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.50000	0.16670	0.16670
2	0.16670	0.50000	0.16670
3	0.83330	0.50000	0.16670
4	0.50000	0.83330	0.16670
5	0.50000	0.83330	0.83330
6	0.83330	0.50000	0.83330
7	0.16670	0.50000	0.83330
8	0.50000	0.16670	0.83330
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9	0.50000	0.66670	0.66670
10	0.16670	0.00000	0.66670
11	0.83330	0.00000	0.66670
12	0.50000	0.33330	0.66670
13	0.50000	0.33330	0.33330
14	0.83330	0.00000	0.33330
15	0.16670	0.00000	0.33330
16	0.50000	0.66670	0.33330
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17	0.00000	0.16670	0.66670
18	0.66670	0.50000	0.66670
19	0.33330	0.50000	0.66670
20	0.00000	0.83330	0.66670
21	0.00000	0.83330	0.33330
22	0.33330	0.50000	0.33330
23	0.66670	0.50000	0.33330
24	0.00000	0.16670	0.33330
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25	0.00000	0.66670	0.16670
26	0.66670	0.00000	0.16670
27	0.33330	0.00000	0.16670
28	0.00000	0.33330	0.16670
29	0.00000	0.33330	0.83330
30	0.33330	0.00000	0.83330
31	0.66670	0.00000	0.83330
32	0.00000	0.66670	0.83330

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.16670	0.16670	0.50000
2	0.16670	0.83330	0.50000
3	0.83330	0.16670	0.50000
4	0.83330	0.83330	0.50000
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5	0.16670	0.66670	0.00000
6	0.16670	0.33330	0.00000
7	0.83330	0.66670	0.00000
8	0.83330	0.33330	0.00000
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9	0.66670	0.16670	0.00000
10	0.66670	0.83330	0.00000
11	0.33330	0.16670	0.00000
12	0.33330	0.83330	0.00000
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13	0.66670	0.66670	0.50000
14	0.66670	0.33330	0.50000
15	0.33330	0.66670	0.50000
16	0.33330	0.33330	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.2405	0.00000	0.00000	16	0,0,m_z	0.0	0.0	4.3(3)	4.30
Tb1_2	Tb	0.00000	0.00000	0.241	8	0,0,m_z	0.0	0.0	0.0	0.00

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

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

KTb₃F₁₀ (#0.1121)

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

KTb3F10 (#0.1121)

KTb₃F₁₀ (#0.1121)