MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
3	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
4	-x,-y,-z,-1	{ -1' \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
7	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
8	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,y,-z,+1	m₀₀₁
3	-x,-y,z,-1	2'₀₀₁
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn2+	0.87940	0.54880	0.09900	8	m_x,m_y,m_z	-4.01(2)	4.01
Mn1_2	Mn2+	0.70120	0.62940	0.84900	8	m_x,m_y,m_z	4.01(2)	4.01
Mn2	Mn2+	0.00000	0.75000	0.87500	4	m_x,m_y,0	4.01(2)	4.01
Mn3	Mn2+	0.00000	0.75000	0.37500	4	m_x,m_y,0	4.01(2)	4.01

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ta1_1	Ta5+	0.42179	0.05600	0.12990	8
Ta1_2	Ta5+	0.19400	0.17179	0.87990	8
O1_1	O2-	0.37180	0.20160	0.21010	8
O1_2	O2-	0.04840	0.12180	-0.03990	8
O2_1	O2-	0.46330	0.89650	0.01870	8
O2_2	O2-	0.35350	0.21330	0.76870	8
O3_1	O2-	0.19730	0.30800	-0.00040	8
O3_2	O2-	0.44200	0.44730	0.24960	8
O4_1	O2-	0.31680	-0.03740	0.24230	8
O4_2	O2-	0.28740	0.06680	-0.00770	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87940	0.54880	0.09900	m_x,m_y,m_z	0.00000	-4.01000	0.00000
2	0.87940	0.04880	0.90100	-m_x,-m_y,m_z	0.00000	4.01000	0.00000
3	0.12060	0.95120	0.09900	m_x,m_y,-m_z	0.00000	-4.01000	0.00000
4	0.12060	0.45120	0.90100	-m_x,-m_y,-m_z	0.00000	4.01000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.37940	0.04880	0.59900	m_x,m_y,m_z	0.00000	-4.01000	0.00000
6	0.37940	0.54880	0.40100	-m_x,-m_y,m_z	0.00000	4.01000	0.00000
7	0.62060	0.45120	0.59900	m_x,m_y,-m_z	0.00000	-4.01000	0.00000
8	0.62060	0.95120	0.40100	-m_x,-m_y,-m_z	0.00000	4.01000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.70120	0.62940	0.84900	m_x,m_y,m_z	0.00000	4.01000	0.00000
2	0.70120	0.12940	0.15100	-m_x,-m_y,m_z	0.00000	-4.01000	0.00000
3	0.29880	0.87060	0.84900	m_x,m_y,-m_z	0.00000	4.01000	0.00000
4	0.29880	0.37060	0.15100	-m_x,-m_y,-m_z	0.00000	-4.01000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.20120	0.12940	0.34900	m_x,m_y,m_z	0.00000	4.01000	0.00000
6	0.20120	0.62940	0.65100	-m_x,-m_y,m_z	0.00000	-4.01000	0.00000
7	0.79880	0.37060	0.34900	m_x,m_y,-m_z	0.00000	4.01000	0.00000
8	0.79880	0.87060	0.65100	-m_x,-m_y,-m_z	0.00000	-4.01000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.87500	m_x,m_y,0	0.00000	4.01000	0.00000
2	0.00000	0.25000	0.12500	-m_x,-m_y,0	0.00000	-4.01000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.25000	0.37500	m_x,m_y,0	0.00000	4.01000	0.00000
4	0.50000	0.75000	0.62500	-m_x,-m_y,0	0.00000	-4.01000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.37500	m_x,m_y,0	0.00000	4.01000	0.00000
2	0.00000	0.25000	0.62500	-m_x,-m_y,0	0.00000	-4.01000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.25000	0.87500	m_x,m_y,0	0.00000	4.01000	0.00000
4	0.50000	0.75000	0.12500	-m_x,-m_y,0	0.00000	-4.01000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ta1_1:

Atom	x	y	z
1	0.42179	0.05600	0.12990
2	0.42179	0.55600	0.87010
3	0.57821	0.44400	0.12990
4	0.57821	0.94400	0.87010
(1/2,1/2,1/2) + set click here to show and hide
5	0.92179	0.55600	0.62990
6	0.92179	0.05600	0.37010
7	0.07821	0.94400	0.62990
8	0.07821	0.44400	0.37010

Set of atoms in the unit cell related by symmetry with the atom Ta1_2:

Atom	x	y	z
1	0.19400	0.17179	0.87990
2	0.19400	0.67179	0.12010
3	0.80600	0.32821	0.87990
4	0.80600	0.82821	0.12010
(1/2,1/2,1/2) + set click here to show and hide
5	0.69400	0.67179	0.37990
6	0.69400	0.17179	0.62010
7	0.30600	0.82821	0.37990
8	0.30600	0.32821	0.62010

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

Atom	x	y	z
1	0.37180	0.20160	0.21010
2	0.37180	0.70160	0.78990
3	0.62820	0.29840	0.21010
4	0.62820	0.79840	0.78990
(1/2,1/2,1/2) + set click here to show and hide
5	0.87180	0.70160	0.71010
6	0.87180	0.20160	0.28990
7	0.12820	0.79840	0.71010
8	0.12820	0.29840	0.28990

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

Atom	x	y	z
1	0.04840	0.12180	0.96010
2	0.04840	0.62180	0.03990
3	0.95160	0.37820	0.96010
4	0.95160	0.87820	0.03990
(1/2,1/2,1/2) + set click here to show and hide
5	0.54840	0.62180	0.46010
6	0.54840	0.12180	0.53990
7	0.45160	0.87820	0.46010
8	0.45160	0.37820	0.53990

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

Atom	x	y	z
1	0.46330	0.89650	0.01870
2	0.46330	0.39650	0.98130
3	0.53670	0.60350	0.01870
4	0.53670	0.10350	0.98130
(1/2,1/2,1/2) + set click here to show and hide
5	0.96330	0.39650	0.51870
6	0.96330	0.89650	0.48130
7	0.03670	0.10350	0.51870
8	0.03670	0.60350	0.48130

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

Atom	x	y	z
1	0.35350	0.21330	0.76870
2	0.35350	0.71330	0.23130
3	0.64650	0.28670	0.76870
4	0.64650	0.78670	0.23130
(1/2,1/2,1/2) + set click here to show and hide
5	0.85350	0.71330	0.26870
6	0.85350	0.21330	0.73130
7	0.14650	0.78670	0.26870
8	0.14650	0.28670	0.73130

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.19730	0.30800	0.99960
2	0.19730	0.80800	0.00040
3	0.80270	0.19200	0.99960
4	0.80270	0.69200	0.00040
(1/2,1/2,1/2) + set click here to show and hide
5	0.69730	0.80800	0.49960
6	0.69730	0.30800	0.50040
7	0.30270	0.69200	0.49960
8	0.30270	0.19200	0.50040

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.44200	0.44730	0.24960
2	0.44200	0.94730	0.75040
3	0.55800	0.05270	0.24960
4	0.55800	0.55270	0.75040
(1/2,1/2,1/2) + set click here to show and hide
5	0.94200	0.94730	0.74960
6	0.94200	0.44730	0.25040
7	0.05800	0.55270	0.74960
8	0.05800	0.05270	0.25040

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.31680	0.96260	0.24230
2	0.31680	0.46260	0.75770
3	0.68320	0.53740	0.24230
4	0.68320	0.03740	0.75770
(1/2,1/2,1/2) + set click here to show and hide
5	0.81680	0.46260	0.74230
6	0.81680	0.96260	0.25770
7	0.18320	0.03740	0.74230
8	0.18320	0.53740	0.25770

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.28740	0.06680	0.99230
2	0.28740	0.56680	0.00770
3	0.71260	0.43320	0.99230
4	0.71260	0.93320	0.00770
(1/2,1/2,1/2) + set click here to show and hide
5	0.78740	0.56680	0.49230
6	0.78740	0.06680	0.50770
7	0.21260	0.93320	0.49230
8	0.21260	0.43320	0.50770

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn2+	0.87940	0.54880	0.09900	8	m_x,m_y,m_z	-4.01(2)	4.01
Mn1_2	Mn2+	0.70120	0.62940	0.84900	8	m_x,m_y,m_z	4.01(2)	4.01
Mn2	Mn2+	0.00000	0.75000	0.87500	4	m_x,m_y,0	4.01(2)	4.01
Mn3	Mn2+	0.00000	0.75000	0.37500	4	m_x,m_y,0	4.01(2)	4.01

[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: