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	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
6	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
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7	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
8	z+1/2,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 1/2 1/2 }
9	y+1/2,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 1/2 1/2 }
10	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
11	-z+1/2,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 1/2 1/2 }
12	-y+1/2,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 1/2 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
4	-x,-y,-z,+1	-1
5	-z,-x,-y,+1	-3⁺₁₁₁
6	-y,-z,-x,+1	-3^-₁₁₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.00000	0.18700	0.30600	1.	12	m_x,m_y,m_z	0.84	6.48	-2.19	6.89
Tb1_2	Tb	0.00000	0.81300	0.30600	1.	12	m_x,m_y,m_z	0.84	6.86	3.07	7.56

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Au1_1	Au	0.10700	0.33800	0.20400	1.	12
Au1_2	Au	0.89300	0.66200	0.20400	1.	12
Au1_3	Au	0.89300	0.33800	0.79600	1.	12
Au1_4	Au	0.10700	0.66200	0.79600	1.	12
Au2_1	Au	0.00000	0.40100	0.35500	1.	12
Au2_2	Au	0.00000	0.59900	0.35500	1.	12
Au3	Au	0.40600	0.00000	0.00000	1.	12
Au4_1	Au	0.15100	0.15100	0.15100	1.	4
Au4_2	Au	0.84900	0.84900	0.15100	1.	12
Au6_1	Au	0.00000	0.23900	0.08300	0.63	12
Au6_2	Au	0.00000	0.76100	0.08300	0.63	12
Si6_1	Si	0.00000	0.23900	0.08300	0.37	12
Si6_2	Si	0.00000	0.76100	0.08300	0.37	12
Au7	Au	0.20000	0.00000	0.50000	0.19	12
Si7	Si	0.20000	0.00000	0.50000	0.81	12
Au8_1	Au	0.00000	0.09300	0.05400	0.11	12
Au8_2	Au	0.00000	0.90700	0.05400	0.11	12
Si8_1	Si	0.00000	0.09300	0.05400	0.23	12
Si8_2	Si	0.00000	0.90700	0.05400	0.23	12
Si9_1	Si	0.25000	0.25000	0.25000	1.	2
Si9_2	Si	0.75000	0.75000	0.25000	1.	6

[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	0.00000	0.18700	0.30600	m_x,m_y,m_z	0.84000	6.48000	-2.19000
2	0.30600	0.00000	0.18700	m_z,m_x,m_y	-2.19000	0.84000	6.48000
3	0.18700	0.30600	0.00000	m_y,m_z,m_x	6.48000	-2.19000	0.84000
4	0.00000	0.81300	0.69400	m_x,m_y,m_z	0.84000	6.48000	-2.19000
5	0.69400	0.00000	0.81300	m_z,m_x,m_y	-2.19000	0.84000	6.48000
6	0.81300	0.69400	0.00000	m_y,m_z,m_x	6.48000	-2.19000	0.84000
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7	0.50000	0.68700	0.80600	m_x,m_y,m_z	0.84000	6.48000	-2.19000
8	0.80600	0.50000	0.68700	m_z,m_x,m_y	-2.19000	0.84000	6.48000
9	0.68700	0.80600	0.50000	m_y,m_z,m_x	6.48000	-2.19000	0.84000
10	0.50000	0.31300	0.19400	m_x,m_y,m_z	0.84000	6.48000	-2.19000
11	0.19400	0.50000	0.31300	m_z,m_x,m_y	-2.19000	0.84000	6.48000
12	0.31300	0.19400	0.50000	m_y,m_z,m_x	6.48000	-2.19000	0.84000

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	0.81300	0.30600	m_x,m_y,m_z	0.84000	6.86000	3.07000
2	0.30600	0.00000	0.81300	m_z,m_x,m_y	3.07000	0.84000	6.86000
3	0.81300	0.30600	0.00000	m_y,m_z,m_x	6.86000	3.07000	0.84000
4	0.00000	0.18700	0.69400	m_x,m_y,m_z	0.84000	6.86000	3.07000
5	0.69400	0.00000	0.18700	m_z,m_x,m_y	3.07000	0.84000	6.86000
6	0.18700	0.69400	0.00000	m_y,m_z,m_x	6.86000	3.07000	0.84000
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7	0.50000	0.31300	0.80600	m_x,m_y,m_z	0.84000	6.86000	3.07000
8	0.80600	0.50000	0.31300	m_z,m_x,m_y	3.07000	0.84000	6.86000
9	0.31300	0.80600	0.50000	m_y,m_z,m_x	6.86000	3.07000	0.84000
10	0.50000	0.68700	0.19400	m_x,m_y,m_z	0.84000	6.86000	3.07000
11	0.19400	0.50000	0.68700	m_z,m_x,m_y	3.07000	0.84000	6.86000
12	0.68700	0.19400	0.50000	m_y,m_z,m_x	6.86000	3.07000	0.84000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Au1_1:

Atom	x	y	z
1	0.10700	0.33800	0.20400
2	0.20400	0.10700	0.33800
3	0.33800	0.20400	0.10700
4	0.89300	0.66200	0.79600
5	0.79600	0.89300	0.66200
6	0.66200	0.79600	0.89300
(1/2,1/2,1/2) + set click here to show and hide
7	0.60700	0.83800	0.70400
8	0.70400	0.60700	0.83800
9	0.83800	0.70400	0.60700
10	0.39300	0.16200	0.29600
11	0.29600	0.39300	0.16200
12	0.16200	0.29600	0.39300

Set of atoms in the unit cell related by symmetry with the atom Au1_2:

Atom	x	y	z
1	0.89300	0.66200	0.20400
2	0.20400	0.89300	0.66200
3	0.66200	0.20400	0.89300
4	0.10700	0.33800	0.79600
5	0.79600	0.10700	0.33800
6	0.33800	0.79600	0.10700
(1/2,1/2,1/2) + set click here to show and hide
7	0.39300	0.16200	0.70400
8	0.70400	0.39300	0.16200
9	0.16200	0.70400	0.39300
10	0.60700	0.83800	0.29600
11	0.29600	0.60700	0.83800
12	0.83800	0.29600	0.60700

Set of atoms in the unit cell related by symmetry with the atom Au1_3:

Atom	x	y	z
1	0.89300	0.33800	0.79600
2	0.79600	0.89300	0.33800
3	0.33800	0.79600	0.89300
4	0.10700	0.66200	0.20400
5	0.20400	0.10700	0.66200
6	0.66200	0.20400	0.10700
(1/2,1/2,1/2) + set click here to show and hide
7	0.39300	0.83800	0.29600
8	0.29600	0.39300	0.83800
9	0.83800	0.29600	0.39300
10	0.60700	0.16200	0.70400
11	0.70400	0.60700	0.16200
12	0.16200	0.70400	0.60700

Set of atoms in the unit cell related by symmetry with the atom Au1_4:

Atom	x	y	z
1	0.10700	0.66200	0.79600
2	0.79600	0.10700	0.66200
3	0.66200	0.79600	0.10700
4	0.89300	0.33800	0.20400
5	0.20400	0.89300	0.33800
6	0.33800	0.20400	0.89300
(1/2,1/2,1/2) + set click here to show and hide
7	0.60700	0.16200	0.29600
8	0.29600	0.60700	0.16200
9	0.16200	0.29600	0.60700
10	0.39300	0.83800	0.70400
11	0.70400	0.39300	0.83800
12	0.83800	0.70400	0.39300

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

Atom	x	y	z
1	0.00000	0.40100	0.35500
2	0.35500	0.00000	0.40100
3	0.40100	0.35500	0.00000
4	0.00000	0.59900	0.64500
5	0.64500	0.00000	0.59900
6	0.59900	0.64500	0.00000
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7	0.50000	0.90100	0.85500
8	0.85500	0.50000	0.90100
9	0.90100	0.85500	0.50000
10	0.50000	0.09900	0.14500
11	0.14500	0.50000	0.09900
12	0.09900	0.14500	0.50000

Set of atoms in the unit cell related by symmetry with the atom Au2_2:

Atom	x	y	z
1	0.00000	0.59900	0.35500
2	0.35500	0.00000	0.59900
3	0.59900	0.35500	0.00000
4	0.00000	0.40100	0.64500
5	0.64500	0.00000	0.40100
6	0.40100	0.64500	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.09900	0.85500
8	0.85500	0.50000	0.09900
9	0.09900	0.85500	0.50000
10	0.50000	0.90100	0.14500
11	0.14500	0.50000	0.90100
12	0.90100	0.14500	0.50000

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

Atom	x	y	z
1	0.40600	0.00000	0.00000
2	0.00000	0.40600	0.00000
3	0.00000	0.00000	0.40600
4	0.59400	0.00000	0.00000
5	0.00000	0.59400	0.00000
6	0.00000	0.00000	0.59400
(1/2,1/2,1/2) + set click here to show and hide
7	0.90600	0.50000	0.50000
8	0.50000	0.90600	0.50000
9	0.50000	0.50000	0.90600
10	0.09400	0.50000	0.50000
11	0.50000	0.09400	0.50000
12	0.50000	0.50000	0.09400

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

Atom	x	y	z
1	0.15100	0.15100	0.15100
2	0.84900	0.84900	0.84900
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3	0.65100	0.65100	0.65100
4	0.34900	0.34900	0.34900

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

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

Set of atoms in the unit cell related by symmetry with the atom Au6_1:

Atom	x	y	z
1	0.00000	0.23900	0.08300
2	0.08300	0.00000	0.23900
3	0.23900	0.08300	0.00000
4	0.00000	0.76100	0.91700
5	0.91700	0.00000	0.76100
6	0.76100	0.91700	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.73900	0.58300
8	0.58300	0.50000	0.73900
9	0.73900	0.58300	0.50000
10	0.50000	0.26100	0.41700
11	0.41700	0.50000	0.26100
12	0.26100	0.41700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Au6_2:

Atom	x	y	z
1	0.00000	0.76100	0.08300
2	0.08300	0.00000	0.76100
3	0.76100	0.08300	0.00000
4	0.00000	0.23900	0.91700
5	0.91700	0.00000	0.23900
6	0.23900	0.91700	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.26100	0.58300
8	0.58300	0.50000	0.26100
9	0.26100	0.58300	0.50000
10	0.50000	0.73900	0.41700
11	0.41700	0.50000	0.73900
12	0.73900	0.41700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si6_1:

Atom	x	y	z
1	0.00000	0.23900	0.08300
2	0.08300	0.00000	0.23900
3	0.23900	0.08300	0.00000
4	0.00000	0.76100	0.91700
5	0.91700	0.00000	0.76100
6	0.76100	0.91700	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.73900	0.58300
8	0.58300	0.50000	0.73900
9	0.73900	0.58300	0.50000
10	0.50000	0.26100	0.41700
11	0.41700	0.50000	0.26100
12	0.26100	0.41700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si6_2:

Atom	x	y	z
1	0.00000	0.76100	0.08300
2	0.08300	0.00000	0.76100
3	0.76100	0.08300	0.00000
4	0.00000	0.23900	0.91700
5	0.91700	0.00000	0.23900
6	0.23900	0.91700	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.26100	0.58300
8	0.58300	0.50000	0.26100
9	0.26100	0.58300	0.50000
10	0.50000	0.73900	0.41700
11	0.41700	0.50000	0.73900
12	0.73900	0.41700	0.50000

Set of atoms in the unit cell related by symmetry with the atom Au7:

Atom	x	y	z
1	0.20000	0.00000	0.50000
2	0.50000	0.20000	0.00000
3	0.00000	0.50000	0.20000
4	0.80000	0.00000	0.50000
5	0.50000	0.80000	0.00000
6	0.00000	0.50000	0.80000
(1/2,1/2,1/2) + set click here to show and hide
7	0.70000	0.50000	0.00000
8	0.00000	0.70000	0.50000
9	0.50000	0.00000	0.70000
10	0.30000	0.50000	0.00000
11	0.00000	0.30000	0.50000
12	0.50000	0.00000	0.30000

Set of atoms in the unit cell related by symmetry with the atom Si7:

Atom	x	y	z
1	0.20000	0.00000	0.50000
2	0.50000	0.20000	0.00000
3	0.00000	0.50000	0.20000
4	0.80000	0.00000	0.50000
5	0.50000	0.80000	0.00000
6	0.00000	0.50000	0.80000
(1/2,1/2,1/2) + set click here to show and hide
7	0.70000	0.50000	0.00000
8	0.00000	0.70000	0.50000
9	0.50000	0.00000	0.70000
10	0.30000	0.50000	0.00000
11	0.00000	0.30000	0.50000
12	0.50000	0.00000	0.30000

Set of atoms in the unit cell related by symmetry with the atom Au8_1:

Atom	x	y	z
1	0.00000	0.09300	0.05400
2	0.05400	0.00000	0.09300
3	0.09300	0.05400	0.00000
4	0.00000	0.90700	0.94600
5	0.94600	0.00000	0.90700
6	0.90700	0.94600	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.59300	0.55400
8	0.55400	0.50000	0.59300
9	0.59300	0.55400	0.50000
10	0.50000	0.40700	0.44600
11	0.44600	0.50000	0.40700
12	0.40700	0.44600	0.50000

Set of atoms in the unit cell related by symmetry with the atom Au8_2:

Atom	x	y	z
1	0.00000	0.90700	0.05400
2	0.05400	0.00000	0.90700
3	0.90700	0.05400	0.00000
4	0.00000	0.09300	0.94600
5	0.94600	0.00000	0.09300
6	0.09300	0.94600	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.40700	0.55400
8	0.55400	0.50000	0.40700
9	0.40700	0.55400	0.50000
10	0.50000	0.59300	0.44600
11	0.44600	0.50000	0.59300
12	0.59300	0.44600	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si8_1:

Atom	x	y	z
1	0.00000	0.09300	0.05400
2	0.05400	0.00000	0.09300
3	0.09300	0.05400	0.00000
4	0.00000	0.90700	0.94600
5	0.94600	0.00000	0.90700
6	0.90700	0.94600	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.59300	0.55400
8	0.55400	0.50000	0.59300
9	0.59300	0.55400	0.50000
10	0.50000	0.40700	0.44600
11	0.44600	0.50000	0.40700
12	0.40700	0.44600	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si8_2:

Atom	x	y	z
1	0.00000	0.90700	0.05400
2	0.05400	0.00000	0.90700
3	0.90700	0.05400	0.00000
4	0.00000	0.09300	0.94600
5	0.94600	0.00000	0.09300
6	0.09300	0.94600	0.00000
(1/2,1/2,1/2) + set click here to show and hide
7	0.50000	0.40700	0.55400
8	0.55400	0.50000	0.40700
9	0.40700	0.55400	0.50000
10	0.50000	0.59300	0.44600
11	0.44600	0.50000	0.59300
12	0.59300	0.44600	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si9_1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
(1/2,1/2,1/2) + set click here to show and hide
2	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si9_2:

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

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.00000	0.18700	0.30600	12	m_x,m_y,m_z	0.84	6.48	-2.19	6.89
Tb1_2	Tb	0.00000	0.81300	0.30600	12	m_x,m_y,m_z	0.84	6.86	3.07	7.56

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM4+	3	3	special	primary	5
mGM1+	1	1		secondary	1	no

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

Au₇₀Si₁₇Tb₁₃ (#0.925)

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

Au70Si17Tb13 (#0.925)

Au₇₀Si₁₇Tb₁₃ (#0.925)