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,y,z,+1	{ m₁₀₀ \| 0 }
(1/3,2/3,1/3) + set click here to show and hide
3	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
4	-x+y+1/3,y+2/3,z+1/3,+1	{ m₁₀₀ \| 1/3 2/3 1/3 }
(2/3,1/3,2/3) + set click here to show and hide
5	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
6	-x+y+2/3,y+1/3,z+2/3,+1	{ m₁₀₀ \| 2/3 1/3 2/3 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
(1/3,2/3,5/6)' + set click here to show and hide
9	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
10	-x+y+1/3,y+2/3,z+5/6,-1	{ m'₁₀₀ \| 1/3 2/3 5/6 }
(2/3,1/3,1/6)' + set click here to show and hide
11	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
12	-x+y+2/3,y+1/3,z+1/6,-1	{ m'₁₀₀ \| 2/3 1/3 1/6 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x+y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tb1	Tb	0.00000	6	m_x,0,0	5.78(7)	5.78
Ru1	Ru	0.25000	6	m_x,0,0	-0.96(11)	0.96
Ru2_1	Ru	0.20655	6	m_x,0,0	0.96(11)	0.96
Ru2_2	Ru	0.79345	6	m_x,0,0	-0.96(11)	0.96

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.00000	0.06495	6
Ba1_2	Ba	0.00000	0.00000	0.93505	6
Ba2_1	Ba	0.00000	0.00000	0.14295	6
Ba2_2	Ba	0.00000	0.00000	0.85705	6
O1_1	O	0.48900	0.51100	0.06170	12
O1_2	O	0.48900	0.97800	0.06170	6
O1_3	O	0.51100	0.48900	0.93830	12
O1_4	O	0.51100	0.02200	0.93830	6
O2_1	O	0.49520	0.50480	0.14555	12
O2_2	O	0.49520	0.99040	0.14555	6
O2_3	O	0.50480	0.49520	0.85445	12
O2_4	O	0.50480	0.00960	0.85445	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	5.78000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	m_x,0,0	5.78000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	m_x,0,0	5.78000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	-m_x,0,0	-5.78000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83333	-m_x,0,0	-5.78000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.16667	-m_x,0,0	-5.78000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	-0.96000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58333	m_x,0,0	-0.96000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91667	m_x,0,0	-0.96000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000	-m_x,0,0	0.96000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08333	-m_x,0,0	0.96000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41667	-m_x,0,0	0.96000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.20655	m_x,0,0	0.96000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.53988	m_x,0,0	0.96000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.87322	m_x,0,0	0.96000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.70655	-m_x,0,0	-0.96000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.03988	-m_x,0,0	-0.96000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.37322	-m_x,0,0	-0.96000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.79345	m_x,0,0	-0.96000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.12678	m_x,0,0	-0.96000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.46012	m_x,0,0	-0.96000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.29345	-m_x,0,0	0.96000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.62678	-m_x,0,0	0.96000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.96012	-m_x,0,0	0.96000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.00000	0.00000	0.06495
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.39828
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.73162
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.56495
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.89828
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.23162

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.00000	0.00000	0.93505
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.26838
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.60172
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.43505
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.76838
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.10172

Set of atoms in the unit cell related by symmetry with the atom Ba2_1:

Atom	x	y	z
1	0.00000	0.00000	0.14295
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.47628
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.80962
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.64295
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.97628
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.30962

Set of atoms in the unit cell related by symmetry with the atom Ba2_2:

Atom	x	y	z
1	0.00000	0.00000	0.85705
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.19038
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.52372
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.35705
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.69038
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.02372

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.48900	0.51100	0.06170
2	0.02200	0.51100	0.06170
(1/3,2/3,1/3) + set click here to show and hide
3	0.82233	0.17767	0.39503
4	0.35533	0.17767	0.39503
(2/3,1/3,2/3) + set click here to show and hide
5	0.15567	0.84433	0.72837
6	0.68867	0.84433	0.72837
(0,0,1/2)' + set click here to show and hide
7	0.48900	0.51100	0.56170
8	0.02200	0.51100	0.56170
(1/3,2/3,5/6)' + set click here to show and hide
9	0.82233	0.17767	0.89503
10	0.35533	0.17767	0.89503
(2/3,1/3,1/6)' + set click here to show and hide
11	0.15567	0.84433	0.22837
12	0.68867	0.84433	0.22837

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.48900	0.97800	0.06170
(1/3,2/3,1/3) + set click here to show and hide
2	0.82233	0.64467	0.39503
(2/3,1/3,2/3) + set click here to show and hide
3	0.15567	0.31133	0.72837
(0,0,1/2)' + set click here to show and hide
4	0.48900	0.97800	0.56170
(1/3,2/3,5/6)' + set click here to show and hide
5	0.82233	0.64467	0.89503
(2/3,1/3,1/6)' + set click here to show and hide
6	0.15567	0.31133	0.22837

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.51100	0.48900	0.93830
2	0.97800	0.48900	0.93830
(1/3,2/3,1/3) + set click here to show and hide
3	0.84433	0.15567	0.27163
4	0.31133	0.15567	0.27163
(2/3,1/3,2/3) + set click here to show and hide
5	0.17767	0.82233	0.60497
6	0.64467	0.82233	0.60497
(0,0,1/2)' + set click here to show and hide
7	0.51100	0.48900	0.43830
8	0.97800	0.48900	0.43830
(1/3,2/3,5/6)' + set click here to show and hide
9	0.84433	0.15567	0.77163
10	0.31133	0.15567	0.77163
(2/3,1/3,1/6)' + set click here to show and hide
11	0.17767	0.82233	0.10497
12	0.64467	0.82233	0.10497

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.51100	0.02200	0.93830
(1/3,2/3,1/3) + set click here to show and hide
2	0.84433	0.68867	0.27163
(2/3,1/3,2/3) + set click here to show and hide
3	0.17767	0.35533	0.60497
(0,0,1/2)' + set click here to show and hide
4	0.51100	0.02200	0.43830
(1/3,2/3,5/6)' + set click here to show and hide
5	0.84433	0.68867	0.77163
(2/3,1/3,1/6)' + set click here to show and hide
6	0.17767	0.35533	0.10497

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.49520	0.50480	0.14555
2	0.00960	0.50480	0.14555
(1/3,2/3,1/3) + set click here to show and hide
3	0.82853	0.17147	0.47888
4	0.34293	0.17147	0.47888
(2/3,1/3,2/3) + set click here to show and hide
5	0.16187	0.83813	0.81222
6	0.67627	0.83813	0.81222
(0,0,1/2)' + set click here to show and hide
7	0.49520	0.50480	0.64555
8	0.00960	0.50480	0.64555
(1/3,2/3,5/6)' + set click here to show and hide
9	0.82853	0.17147	0.97888
10	0.34293	0.17147	0.97888
(2/3,1/3,1/6)' + set click here to show and hide
11	0.16187	0.83813	0.31222
12	0.67627	0.83813	0.31222

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.49520	0.99040	0.14555
(1/3,2/3,1/3) + set click here to show and hide
2	0.82853	0.65707	0.47888
(2/3,1/3,2/3) + set click here to show and hide
3	0.16187	0.32373	0.81222
(0,0,1/2)' + set click here to show and hide
4	0.49520	0.99040	0.64555
(1/3,2/3,5/6)' + set click here to show and hide
5	0.82853	0.65707	0.97888
(2/3,1/3,1/6)' + set click here to show and hide
6	0.16187	0.32373	0.31222

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.50480	0.49520	0.85445
2	0.99040	0.49520	0.85445
(1/3,2/3,1/3) + set click here to show and hide
3	0.83813	0.16187	0.18778
4	0.32373	0.16187	0.18778
(2/3,1/3,2/3) + set click here to show and hide
5	0.17147	0.82853	0.52112
6	0.65707	0.82853	0.52112
(0,0,1/2)' + set click here to show and hide
7	0.50480	0.49520	0.35445
8	0.99040	0.49520	0.35445
(1/3,2/3,5/6)' + set click here to show and hide
9	0.83813	0.16187	0.68778
10	0.32373	0.16187	0.68778
(2/3,1/3,1/6)' + set click here to show and hide
11	0.17147	0.82853	0.02112
12	0.65707	0.82853	0.02112

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.50480	0.00960	0.85445
(1/3,2/3,1/3) + set click here to show and hide
2	0.83813	0.67627	0.18778
(2/3,1/3,2/3) + set click here to show and hide
3	0.17147	0.34293	0.52112
(0,0,1/2)' + set click here to show and hide
4	0.50480	0.00960	0.35445
(1/3,2/3,5/6)' + set click here to show and hide
5	0.83813	0.67627	0.68778
(2/3,1/3,1/6)' + set click here to show and hide
6	0.17147	0.34293	0.02112

[Hide]

Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Tb1	Tb	0.00000	6	m_x,0,0	5.78(7)	5.78
Ru1	Ru	0.25000	6	m_x,0,0	-0.96(11)	0.96
Ru2_1	Ru	0.20655	6	m_x,0,0	0.96(11)	0.96
Ru2_2	Ru	0.79345	6	m_x,0,0	-0.96(11)	0.96

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: