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	{ 2_1-10 \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	y,x,z,+1	{ m_1-10 \| 0 }
5	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
6	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
7	x,y,-z,-1	{ m'₀₀₁ \| 0 }
8	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
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9	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
10	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
11	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
12	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
13	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
14	y,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 0 1/2 1/2 }
15	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
16	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
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17	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
18	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
19	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
20	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
21	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
22	y+1/2,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 0 1/2 }
23	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
24	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
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25	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
26	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
27	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
28	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
29	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
30	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
31	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
32	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 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	2_1-10
3	-x,-y,-z,+1	-1
4	y,x,z,+1	m_1-10
5	-x,-y,z,-1	2'₀₀₁
6	y,x,-z,-1	2'₁₁₀
7	x,y,-z,-1	m'₀₀₁
8	-y,-x,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.241	0.00000	0.00000	16	m_x,m_y,0	0.0	-5.3(3)	0.0	5.30
Tb1_2	Tb	0.00000	0.00000	0.241	8	m_x,-m_x,0	3.8(3)	-3.8(3)	0.0	5.37

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.25000	0.25000	0.25000	8
F1_1	F	0.1118	0.1118	0.1118	16
F1_2	F	0.8882	0.1118	0.8882	16
F2_1	F	0.50000	0.1665	0.1665	32
F2_2	F	0.1665	0.1665	0.50000	8
F2_3	F	0.8335	0.1665	0.50000	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 Tb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24100	0.00000	0.00000	m_x,m_y,0	0.00000	-5.30000	0.00000
2	0.00000	0.75900	0.00000	-m_y,-m_x,0	5.30000	0.00000	0.00000
3	0.75900	0.00000	0.00000	m_x,m_y,0	0.00000	-5.30000	0.00000
4	0.00000	0.24100	0.00000	-m_y,-m_x,0	5.30000	0.00000	0.00000
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5	0.24100	0.50000	0.50000	m_x,m_y,0	0.00000	-5.30000	0.00000
6	0.00000	0.25900	0.50000	-m_y,-m_x,0	5.30000	0.00000	0.00000
7	0.75900	0.50000	0.50000	m_x,m_y,0	0.00000	-5.30000	0.00000
8	0.00000	0.74100	0.50000	-m_y,-m_x,0	5.30000	0.00000	0.00000
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9	0.74100	0.00000	0.50000	m_x,m_y,0	0.00000	-5.30000	0.00000
10	0.50000	0.75900	0.50000	-m_y,-m_x,0	5.30000	0.00000	0.00000
11	0.25900	0.00000	0.50000	m_x,m_y,0	0.00000	-5.30000	0.00000
12	0.50000	0.24100	0.50000	-m_y,-m_x,0	5.30000	0.00000	0.00000
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13	0.74100	0.50000	0.00000	m_x,m_y,0	0.00000	-5.30000	0.00000
14	0.50000	0.25900	0.00000	-m_y,-m_x,0	5.30000	0.00000	0.00000
15	0.25900	0.50000	0.00000	m_x,m_y,0	0.00000	-5.30000	0.00000
16	0.50000	0.74100	0.00000	-m_y,-m_x,0	5.30000	0.00000	0.00000

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	m_x,-m_x,0	3.80000	-3.80000	0.00000
2	0.00000	0.00000	0.75900	m_x,-m_x,0	3.80000	-3.80000	0.00000
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3	0.00000	0.50000	0.74100	m_x,-m_x,0	3.80000	-3.80000	0.00000
4	0.00000	0.50000	0.25900	m_x,-m_x,0	3.80000	-3.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.74100	m_x,-m_x,0	3.80000	-3.80000	0.00000
6	0.50000	0.00000	0.25900	m_x,-m_x,0	3.80000	-3.80000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.24100	m_x,-m_x,0	3.80000	-3.80000	0.00000
8	0.50000	0.50000	0.75900	m_x,-m_x,0	3.80000	-3.80000	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	0.75000	0.75000	0.75000
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3	0.25000	0.75000	0.75000
4	0.75000	0.25000	0.25000
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5	0.75000	0.25000	0.75000
6	0.25000	0.75000	0.25000
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7	0.75000	0.75000	0.25000
8	0.25000	0.25000	0.75000

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

Atom	x	y	z
1	0.11180	0.11180	0.11180
2	0.88820	0.88820	0.88820
3	0.88820	0.88820	0.11180
4	0.11180	0.11180	0.88820
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5	0.11180	0.61180	0.61180
6	0.88820	0.38820	0.38820
7	0.88820	0.38820	0.61180
8	0.11180	0.61180	0.38820
(1/2,0,1/2) + set click here to show and hide
9	0.61180	0.11180	0.61180
10	0.38820	0.88820	0.38820
11	0.38820	0.88820	0.61180
12	0.61180	0.11180	0.38820
(1/2,1/2,0) + set click here to show and hide
13	0.61180	0.61180	0.11180
14	0.38820	0.38820	0.88820
15	0.38820	0.38820	0.11180
16	0.61180	0.61180	0.88820

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

Atom	x	y	z
1	0.88820	0.11180	0.88820
2	0.88820	0.11180	0.11180
3	0.11180	0.88820	0.11180
4	0.11180	0.88820	0.88820
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5	0.88820	0.61180	0.38820
6	0.88820	0.61180	0.61180
7	0.11180	0.38820	0.61180
8	0.11180	0.38820	0.38820
(1/2,0,1/2) + set click here to show and hide
9	0.38820	0.11180	0.38820
10	0.38820	0.11180	0.61180
11	0.61180	0.88820	0.61180
12	0.61180	0.88820	0.38820
(1/2,1/2,0) + set click here to show and hide
13	0.38820	0.61180	0.88820
14	0.38820	0.61180	0.11180
15	0.61180	0.38820	0.11180
16	0.61180	0.38820	0.88820

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

Atom	x	y	z
1	0.50000	0.16650	0.16650
2	0.83350	0.50000	0.83350
3	0.50000	0.83350	0.83350
4	0.16650	0.50000	0.16650
5	0.50000	0.83350	0.16650
6	0.16650	0.50000	0.83350
7	0.50000	0.16650	0.83350
8	0.83350	0.50000	0.16650
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9	0.50000	0.66650	0.66650
10	0.83350	0.00000	0.33350
11	0.50000	0.33350	0.33350
12	0.16650	0.00000	0.66650
13	0.50000	0.33350	0.66650
14	0.16650	0.00000	0.33350
15	0.50000	0.66650	0.33350
16	0.83350	0.00000	0.66650
(1/2,0,1/2) + set click here to show and hide
17	0.00000	0.16650	0.66650
18	0.33350	0.50000	0.33350
19	0.00000	0.83350	0.33350
20	0.66650	0.50000	0.66650
21	0.00000	0.83350	0.66650
22	0.66650	0.50000	0.33350
23	0.00000	0.16650	0.33350
24	0.33350	0.50000	0.66650
(1/2,1/2,0) + set click here to show and hide
25	0.00000	0.66650	0.16650
26	0.33350	0.00000	0.83350
27	0.00000	0.33350	0.83350
28	0.66650	0.00000	0.16650
29	0.00000	0.33350	0.16650
30	0.66650	0.00000	0.83350
31	0.00000	0.66650	0.83350
32	0.33350	0.00000	0.16650

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

Atom	x	y	z
1	0.16650	0.16650	0.50000
2	0.83350	0.83350	0.50000
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3	0.16650	0.66650	0.00000
4	0.83350	0.33350	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.66650	0.16650	0.00000
6	0.33350	0.83350	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.66650	0.66650	0.50000
8	0.33350	0.33350	0.50000

Set of atoms in the unit cell related by symmetry with the atom F2_3:

Atom	x	y	z
1	0.83350	0.16650	0.50000
2	0.16650	0.83350	0.50000
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3	0.83350	0.66650	0.00000
4	0.16650	0.33350	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.33350	0.16650	0.00000
6	0.66650	0.83350	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.33350	0.66650	0.50000
8	0.66650	0.33350	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	0.241	0.00000	0.00000	16	m_x,m_y,0	0.0	-5.3(3)	0.0	5.30
Tb1_2	Tb	0.00000	0.00000	0.241	8	m_x,-m_x,0	3.8(3)	-3.8(3)	0.0	5.37

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

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

KTb₃F₁₀ (#0.1122)

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

KTb3F10 (#0.1122)

KTb₃F₁₀ (#0.1122)