MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x-y,-y,-z+1/3,+1	{ 2₁₀₀ \| 0 0 1/3 }
(0,0,1/2)' + set click here to show and hide
3	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
4	x-y,-y,-z+5/6,-1	{ 2'₁₀₀ \| 0 0 5/6 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x-y,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Y1_1	Y	0.33460	0.00000	0.16667	2	m_x,0,0	0.0	0.00
Y1_2	Y	0.00000	0.33460	0.33333	4	m_x,m_y,m_z	0.0	0.00
Fe1_1	Fe	0.88520	0.00000	0.16667	2	m_x,0,0	-3.95(5)	3.95
Fe1_2	Fe	0.00000	0.88520	0.33333	4	m_x,m_y,m_z	3.95	3.95
Fe2_1	Fe	0.78860	0.45180	0.17235	4	m_x,m_y,m_z	-3.95	3.95
Fe2_2	Fe	0.54820	0.33680	0.33902	4	m_x,m_y,m_z	3.95	3.95
Fe2_3	Fe	0.66320	0.21140	0.50568	4	m_x,m_y,m_z	-3.95	3.95

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.92050	0.00000	0.41667	2
O1_2	O	0.00000	0.92050	0.08333	4
O2_1	O	0.41340	0.71560	0.06205	4
O2_2	O	0.28440	0.69780	0.22872	4
O2_3	O	0.30220	0.58660	0.39538	4
O3_1	O	0.87560	0.69710	0.41150	4
O3_2	O	0.30290	0.17850	0.57817	4
O3_3	O	0.82150	0.12440	0.74483	4
O4_1	O	0.85530	0.64010	0.09350	4
O4_2	O	0.35990	0.21520	0.26017	4
O4_3	O	0.78480	0.14470	0.42683	4
O5_1	O	0.47840	0.15000	0.42150	4
O5_2	O	0.85000	0.32840	0.58817	4
O5_3	O	0.67160	0.52160	0.75483	4
O6_1	O	0.18800	0.00000	0.41667	2
O6_2	O	0.00000	0.18800	0.08333	4
O7_1	O	0.47740	0.46690	0.40655	4
O7_2	O	0.53310	0.01050	0.57322	4
O7_3	O	0.98950	0.52260	0.73988	4
B1_1	B	0.33300	0.00000	0.41667	2
B1_2	B	0.00000	0.33300	0.08333	4
B2_1	B	0.55280	0.87580	0.07545	4
B2_2	B	0.12420	0.67700	0.24212	4
B2_3	B	0.32300	0.44720	0.40878	4
B3_1	B	0.78000	0.00000	0.41667	2
B3_2	B	0.00000	0.78000	0.08333	4

[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 Y1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33460	0.00000	0.16667	m_x,0,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.33460	0.00000	0.66667	-m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Y1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33460	0.33333	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.66540	0.66540	0.00000	m_x-m_y,-m_y,-m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.33460	0.83333	-m_x,-m_y,-m_z	0.00000	0.00000	0.00000
4	0.66540	0.66540	0.50000	-m_x+m_y,m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.88520	0.00000	0.16667	m_x,0,0	-3.95000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.88520	0.00000	0.66667	-m_x,0,0	3.95000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.88520	0.33333	m_x,m_y,m_z	3.95000	0.00000	0.00000
2	0.11480	0.11480	0.00000	m_x-m_y,-m_y,-m_z	3.95000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.88520	0.83333	-m_x,-m_y,-m_z	-3.95000	0.00000	0.00000
4	0.11480	0.11480	0.50000	-m_x+m_y,m_y,m_z	-3.95000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.78860	0.45180	0.17235	m_x,m_y,m_z	-3.95000	0.00000	0.00000
2	0.33680	0.54820	0.16098	m_x-m_y,-m_y,-m_z	-3.95000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.78860	0.45180	0.67235	-m_x,-m_y,-m_z	3.95000	0.00000	0.00000
4	0.33680	0.54820	0.66098	-m_x+m_y,m_y,m_z	3.95000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.54820	0.33680	0.33902	m_x,m_y,m_z	3.95000	0.00000	0.00000
2	0.21140	0.66320	0.99431	m_x-m_y,-m_y,-m_z	3.95000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.54820	0.33680	0.83902	-m_x,-m_y,-m_z	-3.95000	0.00000	0.00000
4	0.21140	0.66320	0.49431	-m_x+m_y,m_y,m_z	-3.95000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66320	0.21140	0.50568	m_x,m_y,m_z	-3.95000	0.00000	0.00000
2	0.45180	0.78860	0.82765	m_x-m_y,-m_y,-m_z	-3.95000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.66320	0.21140	0.00568	-m_x,-m_y,-m_z	3.95000	0.00000	0.00000
4	0.45180	0.78860	0.32765	-m_x+m_y,m_y,m_z	3.95000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.92050	0.00000	0.41667
(0,0,1/2)' + set click here to show and hide
2	0.92050	0.00000	0.91667

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

Atom	x	y	z
1	0.00000	0.92050	0.08333
2	0.07950	0.07950	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.92050	0.58333
4	0.07950	0.07950	0.75000

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

Atom	x	y	z
1	0.41340	0.71560	0.06205
2	0.69780	0.28440	0.27128
(0,0,1/2)' + set click here to show and hide
3	0.41340	0.71560	0.56205
4	0.69780	0.28440	0.77128

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

Atom	x	y	z
1	0.28440	0.69780	0.22872
2	0.58660	0.30220	0.10461
(0,0,1/2)' + set click here to show and hide
3	0.28440	0.69780	0.72872
4	0.58660	0.30220	0.60461

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

Atom	x	y	z
1	0.30220	0.58660	0.39538
2	0.71560	0.41340	0.93795
(0,0,1/2)' + set click here to show and hide
3	0.30220	0.58660	0.89538
4	0.71560	0.41340	0.43795

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

Atom	x	y	z
1	0.87560	0.69710	0.41150
2	0.17850	0.30290	0.92183
(0,0,1/2)' + set click here to show and hide
3	0.87560	0.69710	0.91150
4	0.17850	0.30290	0.42183

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

Atom	x	y	z
1	0.30290	0.17850	0.57817
2	0.12440	0.82150	0.75516
(0,0,1/2)' + set click here to show and hide
3	0.30290	0.17850	0.07817
4	0.12440	0.82150	0.25516

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.82150	0.12440	0.74483
2	0.69710	0.87560	0.58850
(0,0,1/2)' + set click here to show and hide
3	0.82150	0.12440	0.24483
4	0.69710	0.87560	0.08850

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

Atom	x	y	z
1	0.85530	0.64010	0.09350
2	0.21520	0.35990	0.23983
(0,0,1/2)' + set click here to show and hide
3	0.85530	0.64010	0.59350
4	0.21520	0.35990	0.73983

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

Atom	x	y	z
1	0.35990	0.21520	0.26017
2	0.14470	0.78480	0.07316
(0,0,1/2)' + set click here to show and hide
3	0.35990	0.21520	0.76017
4	0.14470	0.78480	0.57316

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.78480	0.14470	0.42683
2	0.64010	0.85530	0.90650
(0,0,1/2)' + set click here to show and hide
3	0.78480	0.14470	0.92683
4	0.64010	0.85530	0.40650

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.47840	0.15000	0.42150
2	0.32840	0.85000	0.91183
(0,0,1/2)' + set click here to show and hide
3	0.47840	0.15000	0.92150
4	0.32840	0.85000	0.41183

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.85000	0.32840	0.58817
2	0.52160	0.67160	0.74516
(0,0,1/2)' + set click here to show and hide
3	0.85000	0.32840	0.08817
4	0.52160	0.67160	0.24516

Set of atoms in the unit cell related by symmetry with the atom O5_3:

Atom	x	y	z
1	0.67160	0.52160	0.75483
2	0.15000	0.47840	0.57850
(0,0,1/2)' + set click here to show and hide
3	0.67160	0.52160	0.25483
4	0.15000	0.47840	0.07850

Set of atoms in the unit cell related by symmetry with the atom O6_1:

Atom	x	y	z
1	0.18800	0.00000	0.41667
(0,0,1/2)' + set click here to show and hide
2	0.18800	0.00000	0.91667

Set of atoms in the unit cell related by symmetry with the atom O6_2:

Atom	x	y	z
1	0.00000	0.18800	0.08333
2	0.81200	0.81200	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.18800	0.58333
4	0.81200	0.81200	0.75000

Set of atoms in the unit cell related by symmetry with the atom O7_1:

Atom	x	y	z
1	0.47740	0.46690	0.40655
2	0.01050	0.53310	0.92678
(0,0,1/2)' + set click here to show and hide
3	0.47740	0.46690	0.90655
4	0.01050	0.53310	0.42678

Set of atoms in the unit cell related by symmetry with the atom O7_2:

Atom	x	y	z
1	0.53310	0.01050	0.57322
2	0.52260	0.98950	0.76011
(0,0,1/2)' + set click here to show and hide
3	0.53310	0.01050	0.07322
4	0.52260	0.98950	0.26011

Set of atoms in the unit cell related by symmetry with the atom O7_3:

Atom	x	y	z
1	0.98950	0.52260	0.73988
2	0.46690	0.47740	0.59345
(0,0,1/2)' + set click here to show and hide
3	0.98950	0.52260	0.23988
4	0.46690	0.47740	0.09345

Set of atoms in the unit cell related by symmetry with the atom B1_1:

Atom	x	y	z
1	0.33300	0.00000	0.41667
(0,0,1/2)' + set click here to show and hide
2	0.33300	0.00000	0.91667

Set of atoms in the unit cell related by symmetry with the atom B1_2:

Atom	x	y	z
1	0.00000	0.33300	0.08333
2	0.66700	0.66700	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.33300	0.58333
4	0.66700	0.66700	0.75000

Set of atoms in the unit cell related by symmetry with the atom B2_1:

Atom	x	y	z
1	0.55280	0.87580	0.07545
2	0.67700	0.12420	0.25788
(0,0,1/2)' + set click here to show and hide
3	0.55280	0.87580	0.57545
4	0.67700	0.12420	0.75788

Set of atoms in the unit cell related by symmetry with the atom B2_2:

Atom	x	y	z
1	0.12420	0.67700	0.24212
2	0.44720	0.32300	0.09121
(0,0,1/2)' + set click here to show and hide
3	0.12420	0.67700	0.74212
4	0.44720	0.32300	0.59121

Set of atoms in the unit cell related by symmetry with the atom B2_3:

Atom	x	y	z
1	0.32300	0.44720	0.40878
2	0.87580	0.55280	0.92455
(0,0,1/2)' + set click here to show and hide
3	0.32300	0.44720	0.90878
4	0.87580	0.55280	0.42455

Set of atoms in the unit cell related by symmetry with the atom B3_1:

Atom	x	y	z
1	0.78000	0.00000	0.41667
(0,0,1/2)' + set click here to show and hide
2	0.78000	0.00000	0.91667

Set of atoms in the unit cell related by symmetry with the atom B3_2:

Atom	x	y	z
1	0.00000	0.78000	0.08333
2	0.22000	0.22000	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.78000	0.58333
4	0.22000	0.22000	0.75000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Y1_1	Y	0.33460	0.00000	0.16667	2	m_x,0,0	0.0	0.00
Y1_2	Y	0.00000	0.33460	0.33333	4	m_x,m_y,m_z	0.0	0.00
Fe1_1	Fe	0.88520	0.00000	0.16667	2	m_x,0,0	-3.95(5)	3.95
Fe1_2	Fe	0.00000	0.88520	0.33333	4	m_x,m_y,m_z	3.95	3.95
Fe2_1	Fe	0.78860	0.45180	0.17235	4	m_x,m_y,m_z	-3.95	3.95
Fe2_2	Fe	0.54820	0.33680	0.33902	4	m_x,m_y,m_z	3.95	3.95
Fe2_3	Fe	0.66320	0.21140	0.50568	4	m_x,m_y,m_z	-3.95	3.95

[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: