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	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
6	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
7	-y,z,-x,+1	{ 3^-_1-1-1 \| 0 }
8	-z,-x,y,+1	{ 3⁺_1-1-1 \| 0 }
9	-y,-z,x,+1	{ 3^-_-11-1 \| 0 }
10	z,-x,-y,+1	{ 3⁺_-11-1 \| 0 }
11	y,-z,-x,+1	{ 3^-_-1-11 \| 0 }
12	-z,x,-y,+1	{ 3⁺_-1-11 \| 0 }
13	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
14	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
15	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
16	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
17	-z+1/2,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 1/2 1/2 }
18	-y+1/2,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 1/2 1/2 }
19	y+1/2,-z+1/2,x+1/2,+1	{ -3^-_1-1-1 \| 1/2 1/2 1/2 }
20	z+1/2,x+1/2,-y+1/2,+1	{ -3⁺_1-1-1 \| 1/2 1/2 1/2 }
21	y+1/2,z+1/2,-x+1/2,+1	{ -3^-_-11-1 \| 1/2 1/2 1/2 }
22	-z+1/2,x+1/2,y+1/2,+1	{ -3⁺_-11-1 \| 1/2 1/2 1/2 }
23	-y+1/2,z+1/2,x+1/2,+1	{ -3^-_-1-11 \| 1/2 1/2 1/2 }
24	z+1/2,-x+1/2,y+1/2,+1	{ -3⁺_-1-11 \| 1/2 1/2 1/2 }
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25	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
26	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
27	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
28	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
29	z+1/2,x+1/2,y+1/2,-1	{ 3'⁺₁₁₁ \| 1/2 1/2 1/2 }
30	y+1/2,z+1/2,x+1/2,-1	{ 3'^-₁₁₁ \| 1/2 1/2 1/2 }
31	-y+1/2,z+1/2,-x+1/2,-1	{ 3'^-_1-1-1 \| 1/2 1/2 1/2 }
32	-z+1/2,-x+1/2,y+1/2,-1	{ 3'⁺_1-1-1 \| 1/2 1/2 1/2 }
33	-y+1/2,-z+1/2,x+1/2,-1	{ 3'^-_-11-1 \| 1/2 1/2 1/2 }
34	z+1/2,-x+1/2,-y+1/2,-1	{ 3'⁺_-11-1 \| 1/2 1/2 1/2 }
35	y+1/2,-z+1/2,-x+1/2,-1	{ 3'^-_-1-11 \| 1/2 1/2 1/2 }
36	-z+1/2,x+1/2,-y+1/2,-1	{ 3'⁺_-1-11 \| 1/2 1/2 1/2 }
37	-x,-y,-z,-1	{ -1' \| 0 }
38	-x,y,z,-1	{ m'₁₀₀ \| 0 }
39	x,-y,z,-1	{ m'₀₁₀ \| 0 }
40	x,y,-z,-1	{ m'₀₀₁ \| 0 }
41	-z,-x,-y,-1	{ -3'⁺₁₁₁ \| 0 }
42	-y,-z,-x,-1	{ -3'^-₁₁₁ \| 0 }
43	y,-z,x,-1	{ -3'^-_1-1-1 \| 0 }
44	z,x,-y,-1	{ -3'⁺_1-1-1 \| 0 }
45	y,z,-x,-1	{ -3'^-_-11-1 \| 0 }
46	-z,x,y,-1	{ -3'⁺_-11-1 \| 0 }
47	-y,z,x,-1	{ -3'^-_-1-11 \| 0 }
48	z,-x,y,-1	{ -3'⁺_-1-11 \| 0 }

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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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	z,x,y,+1	3⁺₁₁₁
6	y,z,x,+1	3^-₁₁₁
7	-y,z,-x,+1	3^-_1-1-1
8	-z,-x,y,+1	3⁺_1-1-1
9	-y,-z,x,+1	3^-_-11-1
10	z,-x,-y,+1	3⁺_-11-1
11	y,-z,-x,+1	3^-_-1-11
12	-z,x,-y,+1	3⁺_-1-11
13	-x,-y,-z,+1	-1
14	-x,y,z,+1	m₁₀₀
15	x,-y,z,+1	m₀₁₀
16	x,y,-z,+1	m₀₀₁
17	-z,-x,-y,+1	-3⁺₁₁₁
18	-y,-z,-x,+1	-3^-₁₁₁
19	y,-z,x,+1	-3^-_1-1-1
20	z,x,-y,+1	-3⁺_1-1-1
21	y,z,-x,+1	-3^-_-11-1
22	-z,x,y,+1	-3⁺_-11-1
23	-y,z,x,+1	-3^-_-1-11
24	z,-x,y,+1	-3⁺_-1-11
1' + set click here to show and hide
25	x,y,z,-1	1'
26	x,-y,-z,-1	2'₁₀₀
27	-x,y,-z,-1	2'₀₁₀
28	-x,-y,z,-1	2'₀₀₁
29	z,x,y,-1	3'⁺₁₁₁
30	y,z,x,-1	3'^-₁₁₁
31	-y,z,-x,-1	3'^-_1-1-1
32	-z,-x,y,-1	3'⁺_1-1-1
33	-y,-z,x,-1	3'^-_-11-1
34	z,-x,-y,-1	3'⁺_-11-1
35	y,-z,-x,-1	3'^-_-1-11
36	-z,x,-y,-1	3'⁺_-1-11
37	-x,-y,-z,-1	-1'
38	-x,y,z,-1	m'₁₀₀
39	x,-y,z,-1	m'₀₁₀
40	x,y,-z,-1	m'₀₀₁
41	-z,-x,-y,-1	-3'⁺₁₁₁
42	-y,-z,-x,-1	-3'^-₁₁₁
43	y,-z,x,-1	-3'^-_1-1-1
44	z,x,-y,-1	-3'⁺_1-1-1
45	y,z,-x,-1	-3'^-_-11-1
46	-z,x,y,-1	-3'⁺_-11-1
47	-y,z,x,-1	-3'^-_-1-11
48	z,-x,y,-1	-3'⁺_-1-11

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.314	0.194	0.500000	1.	24	m_x,m_y,0	6.71(5)	-3.43(7)	0.0	7.54

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Au1	Au	0.10900	0.34500	0.20200	1.	48
Au2_1	Au	0.00000	0.76400	0.90800	0.84	24
Al2_2	Al	0.00000	0.76400	0.90800	0.16	24
Au3	Au	0.00000	0.59200	0.65200	1.	24
Au4_1	Au	0.34900	0.34900	0.34900	0.77	16
Au4_2	Au	0.33400	0.33400	0.33400	0.23	16
Au5	Au	0.81300	0.00000	0.50000	0.2	12
Al5	Al	0.81300	0.00000	0.50000	0.8	12
Au6	Au	0.59500	0.00000	0.00000	1.	12
Al8	Al	0.25000	0.25000	0.25000	1.	8
Al7	Al	0.00000	0.93000	0.93000	0.32	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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.31400	0.19400	0.50000	m_x,m_y,0	6.71000	-3.43000	0.00000
2	0.31400	0.80600	0.50000	m_x,-m_y,0	6.71000	3.43000	0.00000
3	0.68600	0.19400	0.50000	-m_x,m_y,0	-6.71000	-3.43000	0.00000
4	0.68600	0.80600	0.50000	-m_x,-m_y,0	-6.71000	3.43000	0.00000
5	0.50000	0.31400	0.19400	0,m_x,m_y	0.00000	6.71000	-3.43000
6	0.19400	0.50000	0.31400	m_y,0,m_x	-3.43000	0.00000	6.71000
7	0.80600	0.50000	0.68600	-m_y,0,-m_x	3.43000	0.00000	-6.71000
8	0.50000	0.68600	0.19400	0,-m_x,m_y	0.00000	-6.71000	-3.43000
9	0.80600	0.50000	0.31400	-m_y,0,m_x	3.43000	0.00000	6.71000
10	0.50000	0.68600	0.80600	0,-m_x,-m_y	0.00000	-6.71000	3.43000
11	0.19400	0.50000	0.68600	m_y,0,-m_x	-3.43000	0.00000	-6.71000
12	0.50000	0.31400	0.80600	0,m_x,-m_y	0.00000	6.71000	3.43000
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13	0.81400	0.69400	0.00000	-m_x,-m_y,0	-6.71000	3.43000	0.00000
14	0.81400	0.30600	0.00000	-m_x,m_y,0	-6.71000	-3.43000	0.00000
15	0.18600	0.69400	0.00000	m_x,-m_y,0	6.71000	3.43000	0.00000
16	0.18600	0.30600	0.00000	m_x,m_y,0	6.71000	-3.43000	0.00000
17	0.00000	0.81400	0.69400	0,-m_x,-m_y	0.00000	-6.71000	3.43000
18	0.69400	0.00000	0.81400	-m_y,0,-m_x	3.43000	0.00000	-6.71000
19	0.30600	0.00000	0.18600	m_y,0,m_x	-3.43000	0.00000	6.71000
20	0.00000	0.18600	0.69400	0,m_x,-m_y	0.00000	6.71000	3.43000
21	0.30600	0.00000	0.81400	m_y,0,-m_x	-3.43000	0.00000	-6.71000
22	0.00000	0.18600	0.30600	0,m_x,m_y	0.00000	6.71000	-3.43000
23	0.69400	0.00000	0.18600	-m_y,0,m_x	3.43000	0.00000	6.71000
24	0.00000	0.81400	0.30600	0,-m_x,m_y	0.00000	-6.71000	-3.43000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Au1:

Atom	x	y	z
1	0.10900	0.34500	0.20200
2	0.10900	0.65500	0.79800
3	0.89100	0.34500	0.79800
4	0.89100	0.65500	0.20200
5	0.20200	0.10900	0.34500
6	0.34500	0.20200	0.10900
7	0.65500	0.20200	0.89100
8	0.79800	0.89100	0.34500
9	0.65500	0.79800	0.10900
10	0.20200	0.89100	0.65500
11	0.34500	0.79800	0.89100
12	0.79800	0.10900	0.65500
13	0.39100	0.15500	0.29800
14	0.39100	0.84500	0.70200
15	0.60900	0.15500	0.70200
16	0.60900	0.84500	0.29800
17	0.29800	0.39100	0.15500
18	0.15500	0.29800	0.39100
19	0.84500	0.29800	0.60900
20	0.70200	0.60900	0.15500
21	0.84500	0.70200	0.39100
22	0.29800	0.60900	0.84500
23	0.15500	0.70200	0.60900
24	0.70200	0.39100	0.84500
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25	0.60900	0.84500	0.70200
26	0.60900	0.15500	0.29800
27	0.39100	0.84500	0.29800
28	0.39100	0.15500	0.70200
29	0.70200	0.60900	0.84500
30	0.84500	0.70200	0.60900
31	0.15500	0.70200	0.39100
32	0.29800	0.39100	0.84500
33	0.15500	0.29800	0.60900
34	0.70200	0.39100	0.15500
35	0.84500	0.29800	0.39100
36	0.29800	0.60900	0.15500
37	0.89100	0.65500	0.79800
38	0.89100	0.34500	0.20200
39	0.10900	0.65500	0.20200
40	0.10900	0.34500	0.79800
41	0.79800	0.89100	0.65500
42	0.65500	0.79800	0.89100
43	0.34500	0.79800	0.10900
44	0.20200	0.10900	0.65500
45	0.34500	0.20200	0.89100
46	0.79800	0.10900	0.34500
47	0.65500	0.20200	0.10900
48	0.20200	0.89100	0.34500

Set of atoms in the unit cell related by symmetry with the atom Au2_1:

Atom	x	y	z
1	0.00000	0.76400	0.90800
2	0.00000	0.23600	0.09200
3	0.00000	0.76400	0.09200
4	0.00000	0.23600	0.90800
5	0.90800	0.00000	0.76400
6	0.76400	0.90800	0.00000
7	0.23600	0.90800	0.00000
8	0.09200	0.00000	0.76400
9	0.23600	0.09200	0.00000
10	0.90800	0.00000	0.23600
11	0.76400	0.09200	0.00000
12	0.09200	0.00000	0.23600
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.26400	0.40800
14	0.50000	0.73600	0.59200
15	0.50000	0.26400	0.59200
16	0.50000	0.73600	0.40800
17	0.40800	0.50000	0.26400
18	0.26400	0.40800	0.50000
19	0.73600	0.40800	0.50000
20	0.59200	0.50000	0.26400
21	0.73600	0.59200	0.50000
22	0.40800	0.50000	0.73600
23	0.26400	0.59200	0.50000
24	0.59200	0.50000	0.73600

Set of atoms in the unit cell related by symmetry with the atom Al2_2:

Atom	x	y	z
1	0.00000	0.76400	0.90800
2	0.00000	0.23600	0.09200
3	0.00000	0.76400	0.09200
4	0.00000	0.23600	0.90800
5	0.90800	0.00000	0.76400
6	0.76400	0.90800	0.00000
7	0.23600	0.90800	0.00000
8	0.09200	0.00000	0.76400
9	0.23600	0.09200	0.00000
10	0.90800	0.00000	0.23600
11	0.76400	0.09200	0.00000
12	0.09200	0.00000	0.23600
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.26400	0.40800
14	0.50000	0.73600	0.59200
15	0.50000	0.26400	0.59200
16	0.50000	0.73600	0.40800
17	0.40800	0.50000	0.26400
18	0.26400	0.40800	0.50000
19	0.73600	0.40800	0.50000
20	0.59200	0.50000	0.26400
21	0.73600	0.59200	0.50000
22	0.40800	0.50000	0.73600
23	0.26400	0.59200	0.50000
24	0.59200	0.50000	0.73600

Set of atoms in the unit cell related by symmetry with the atom Au3:

Atom	x	y	z
1	0.00000	0.59200	0.65200
2	0.00000	0.40800	0.34800
3	0.00000	0.59200	0.34800
4	0.00000	0.40800	0.65200
5	0.65200	0.00000	0.59200
6	0.59200	0.65200	0.00000
7	0.40800	0.65200	0.00000
8	0.34800	0.00000	0.59200
9	0.40800	0.34800	0.00000
10	0.65200	0.00000	0.40800
11	0.59200	0.34800	0.00000
12	0.34800	0.00000	0.40800
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.09200	0.15200
14	0.50000	0.90800	0.84800
15	0.50000	0.09200	0.84800
16	0.50000	0.90800	0.15200
17	0.15200	0.50000	0.09200
18	0.09200	0.15200	0.50000
19	0.90800	0.15200	0.50000
20	0.84800	0.50000	0.09200
21	0.90800	0.84800	0.50000
22	0.15200	0.50000	0.90800
23	0.09200	0.84800	0.50000
24	0.84800	0.50000	0.90800

Set of atoms in the unit cell related by symmetry with the atom Au4_1:

Atom	x	y	z
1	0.34900	0.34900	0.34900
2	0.34900	0.65100	0.65100
3	0.65100	0.34900	0.65100
4	0.65100	0.65100	0.34900
5	0.15100	0.15100	0.15100
6	0.15100	0.84900	0.84900
7	0.84900	0.15100	0.84900
8	0.84900	0.84900	0.15100
(1/2,1/2,1/2)' + set click here to show and hide
9	0.84900	0.84900	0.84900
10	0.84900	0.15100	0.15100
11	0.15100	0.84900	0.15100
12	0.15100	0.15100	0.84900
13	0.65100	0.65100	0.65100
14	0.65100	0.34900	0.34900
15	0.34900	0.65100	0.34900
16	0.34900	0.34900	0.65100

Set of atoms in the unit cell related by symmetry with the atom Au4_2:

Atom	x	y	z
1	0.33400	0.33400	0.33400
2	0.33400	0.66600	0.66600
3	0.66600	0.33400	0.66600
4	0.66600	0.66600	0.33400
5	0.16600	0.16600	0.16600
6	0.16600	0.83400	0.83400
7	0.83400	0.16600	0.83400
8	0.83400	0.83400	0.16600
(1/2,1/2,1/2)' + set click here to show and hide
9	0.83400	0.83400	0.83400
10	0.83400	0.16600	0.16600
11	0.16600	0.83400	0.16600
12	0.16600	0.16600	0.83400
13	0.66600	0.66600	0.66600
14	0.66600	0.33400	0.33400
15	0.33400	0.66600	0.33400
16	0.33400	0.33400	0.66600

Set of atoms in the unit cell related by symmetry with the atom Au5:

Atom	x	y	z
1	0.81300	0.00000	0.50000
2	0.18700	0.00000	0.50000
3	0.50000	0.81300	0.00000
4	0.00000	0.50000	0.81300
5	0.00000	0.50000	0.18700
6	0.50000	0.18700	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.31300	0.50000	0.00000
8	0.68700	0.50000	0.00000
9	0.00000	0.31300	0.50000
10	0.50000	0.00000	0.31300
11	0.50000	0.00000	0.68700
12	0.00000	0.68700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Al5:

Atom	x	y	z
1	0.81300	0.00000	0.50000
2	0.18700	0.00000	0.50000
3	0.50000	0.81300	0.00000
4	0.00000	0.50000	0.81300
5	0.00000	0.50000	0.18700
6	0.50000	0.18700	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.31300	0.50000	0.00000
8	0.68700	0.50000	0.00000
9	0.00000	0.31300	0.50000
10	0.50000	0.00000	0.31300
11	0.50000	0.00000	0.68700
12	0.00000	0.68700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Au6:

Atom	x	y	z
1	0.59500	0.00000	0.00000
2	0.40500	0.00000	0.00000
3	0.00000	0.59500	0.00000
4	0.00000	0.00000	0.59500
5	0.00000	0.00000	0.40500
6	0.00000	0.40500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.09500	0.50000	0.50000
8	0.90500	0.50000	0.50000
9	0.50000	0.09500	0.50000
10	0.50000	0.50000	0.09500
11	0.50000	0.50000	0.90500
12	0.50000	0.90500	0.50000

Set of atoms in the unit cell related by symmetry with the atom Al8:

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

Set of atoms in the unit cell related by symmetry with the atom Al7:

Atom	x	y	z
1	0.00000	0.93000	0.93000
2	0.00000	0.07000	0.07000
3	0.00000	0.93000	0.07000
4	0.00000	0.07000	0.93000
5	0.93000	0.00000	0.93000
6	0.93000	0.93000	0.00000
7	0.07000	0.93000	0.00000
8	0.07000	0.00000	0.93000
9	0.07000	0.07000	0.00000
10	0.93000	0.00000	0.07000
11	0.93000	0.07000	0.00000
12	0.07000	0.00000	0.07000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.43000	0.43000
14	0.50000	0.57000	0.57000
15	0.50000	0.43000	0.57000
16	0.50000	0.57000	0.43000
17	0.43000	0.50000	0.43000
18	0.43000	0.43000	0.50000
19	0.57000	0.43000	0.50000
20	0.57000	0.50000	0.43000
21	0.57000	0.57000	0.50000
22	0.43000	0.50000	0.57000
23	0.43000	0.57000	0.50000
24	0.57000	0.50000	0.57000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.314	0.194	0.500000	24	m_x,m_y,0	6.71(5)	-3.43(7)	0.0	7.54

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

label	dim. small irrep	dim. full irrep	action	number of modes
mH1-	1	1	primary	2

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

Au₇₂Al₁₄Tb₁₄ (#1.412)

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

Au72Al14Tb14 (#1.412)

Au₇₂Al₁₄Tb₁₄ (#1.412)