MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	4.08(2)	0.0	4.08
Mn1_2	Mn	0.16667	0.50000	0.00000	4	m_x,m_y,m_z	-2.04	3.53	4.08
Mn1_3	Mn	0.16667	0.50000	0.50000	4	m_x,m_y,m_z	2.04	-3.53	4.08

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.00000	0.99890	0.25000	2
Ba1_2	Ba	0.00000	0.00110	0.75000	2
Ba1_3	Ba	0.16667	0.49890	0.25000	4
Ba1_4	Ba	0.16667	0.50110	0.75000	4
Ba2_1	Ba	0.00177	0.33330	0.09010	4
Ba2_2	Ba	0.99823	0.66670	0.90990	4
Ba2_3	Ba	0.16843	0.83330	0.09010	4
Ba2_4	Ba	0.16490	0.83330	0.40990	4
Ba2_5	Ba	0.16490	0.16670	0.90990	4
Ba2_6	Ba	0.16843	0.16670	0.59010	4
Sb1_1	Sb	0.33070	0.33380	0.84740	4
Sb1_2	Sb	0.66930	0.66620	0.15260	4
Sb1_3	Sb	0.49737	0.83380	0.84740	4
Sb1_4	Sb	0.83597	0.83380	0.65260	4
Sb1_5	Sb	0.83597	0.16620	0.15260	4
Sb1_6	Sb	0.49737	0.16620	0.34740	4
O1_1	O	0.00000	0.51600	0.25000	2
O1_2	O	0.00000	0.48400	0.75000	2
O1_3	O	0.16667	0.01600	0.25000	4
O1_4	O	0.16667	0.98400	0.75000	4
O2_1	O	0.09320	0.23940	0.24700	4
O2_2	O	0.90680	0.76060	0.75300	4
O2_3	O	0.25987	0.73940	0.24700	4
O2_4	O	0.07347	0.73940	0.25300	4
O2_5	O	0.07347	0.26060	0.75300	4
O2_6	O	0.25987	0.26060	0.74700	4
O3_1	O	0.00307	0.83020	0.08620	4
O3_2	O	0.99693	0.16980	0.91380	4
O3_3	O	0.16973	0.33020	0.08620	4
O3_4	O	0.16360	0.33020	0.41380	4
O3_5	O	0.16360	0.66980	0.91380	4
O3_6	O	0.16973	0.66980	0.58620	4
O4_1	O	0.08947	0.08390	0.08010	4
O4_2	O	0.91053	0.91610	0.91990	4
O4_3	O	0.25613	0.58390	0.08010	4
O4_4	O	0.07720	0.58390	0.41990	4
O4_5	O	0.07720	0.41610	0.91990	4
O4_6	O	0.25613	0.41610	0.58010	4
O5_1	O	0.25143	0.08510	0.09090	4
O5_2	O	0.74857	0.91490	0.90910	4
O5_3	O	0.41810	0.58510	0.09090	4
O5_4	O	0.91523	0.58510	0.40910	4
O5_5	O	0.91523	0.41490	0.90910	4
O5_6	O	0.41810	0.41490	0.59090	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	4.08000	0.00000	0.00000
2	0.00000	0.00000	0.50000	-m_x,m_y,-m_z	-4.08000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,m_y,m_z	4.08000	0.00000	0.00000
4	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-4.08000	0.00000	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	0.16667	0.50000	0.00000	m_x,m_y,m_z	-2.04000	3.53000	0.00000
2	0.83333	0.50000	0.50000	-m_x,m_y,-m_z	2.04000	3.53000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.00000	0.00000	m_x,m_y,m_z	-2.04000	3.53000	0.00000
4	0.33333	0.00000	0.50000	-m_x,m_y,-m_z	2.04000	3.53000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.50000	0.50000	m_x,m_y,m_z	2.04000	-3.53000	0.00000
2	0.83333	0.50000	0.00000	-m_x,m_y,-m_z	-2.04000	-3.53000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.00000	0.50000	m_x,m_y,m_z	2.04000	-3.53000	0.00000
4	0.33333	0.00000	0.00000	-m_x,m_y,-m_z	-2.04000	-3.53000	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	0.99890	0.25000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.49890	0.25000

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

Atom	x	y	z
1	0.00000	0.00110	0.75000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50110	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba1_3:

Atom	x	y	z
1	0.16667	0.49890	0.25000
2	0.83333	0.49890	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.99890	0.25000
4	0.33333	0.99890	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ba1_4:

Atom	x	y	z
1	0.16667	0.50110	0.75000
2	0.83333	0.50110	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.00110	0.75000
4	0.33333	0.00110	0.75000

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

Atom	x	y	z
1	0.00177	0.33330	0.09010
2	0.99823	0.33330	0.40990
(1/2,1/2,0) + set click here to show and hide
3	0.50177	0.83330	0.09010
4	0.49823	0.83330	0.40990

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

Atom	x	y	z
1	0.99823	0.66670	0.90990
2	0.00177	0.66670	0.59010
(1/2,1/2,0) + set click here to show and hide
3	0.49823	0.16670	0.90990
4	0.50177	0.16670	0.59010

Set of atoms in the unit cell related by symmetry with the atom Ba2_3:

Atom	x	y	z
1	0.16843	0.83330	0.09010
2	0.83157	0.83330	0.40990
(1/2,1/2,0) + set click here to show and hide
3	0.66843	0.33330	0.09010
4	0.33157	0.33330	0.40990

Set of atoms in the unit cell related by symmetry with the atom Ba2_4:

Atom	x	y	z
1	0.16490	0.83330	0.40990
2	0.83510	0.83330	0.09010
(1/2,1/2,0) + set click here to show and hide
3	0.66490	0.33330	0.40990
4	0.33510	0.33330	0.09010

Set of atoms in the unit cell related by symmetry with the atom Ba2_5:

Atom	x	y	z
1	0.16490	0.16670	0.90990
2	0.83510	0.16670	0.59010
(1/2,1/2,0) + set click here to show and hide
3	0.66490	0.66670	0.90990
4	0.33510	0.66670	0.59010

Set of atoms in the unit cell related by symmetry with the atom Ba2_6:

Atom	x	y	z
1	0.16843	0.16670	0.59010
2	0.83157	0.16670	0.90990
(1/2,1/2,0) + set click here to show and hide
3	0.66843	0.66670	0.59010
4	0.33157	0.66670	0.90990

Set of atoms in the unit cell related by symmetry with the atom Sb1_1:

Atom	x	y	z
1	0.33070	0.33380	0.84740
2	0.66930	0.33380	0.65260
(1/2,1/2,0) + set click here to show and hide
3	0.83070	0.83380	0.84740
4	0.16930	0.83380	0.65260

Set of atoms in the unit cell related by symmetry with the atom Sb1_2:

Atom	x	y	z
1	0.66930	0.66620	0.15260
2	0.33070	0.66620	0.34740
(1/2,1/2,0) + set click here to show and hide
3	0.16930	0.16620	0.15260
4	0.83070	0.16620	0.34740

Set of atoms in the unit cell related by symmetry with the atom Sb1_3:

Atom	x	y	z
1	0.49737	0.83380	0.84740
2	0.50263	0.83380	0.65260
(1/2,1/2,0) + set click here to show and hide
3	0.99737	0.33380	0.84740
4	0.00263	0.33380	0.65260

Set of atoms in the unit cell related by symmetry with the atom Sb1_4:

Atom	x	y	z
1	0.83597	0.83380	0.65260
2	0.16403	0.83380	0.84740
(1/2,1/2,0) + set click here to show and hide
3	0.33597	0.33380	0.65260
4	0.66403	0.33380	0.84740

Set of atoms in the unit cell related by symmetry with the atom Sb1_5:

Atom	x	y	z
1	0.83597	0.16620	0.15260
2	0.16403	0.16620	0.34740
(1/2,1/2,0) + set click here to show and hide
3	0.33597	0.66620	0.15260
4	0.66403	0.66620	0.34740

Set of atoms in the unit cell related by symmetry with the atom Sb1_6:

Atom	x	y	z
1	0.49737	0.16620	0.34740
2	0.50263	0.16620	0.15260
(1/2,1/2,0) + set click here to show and hide
3	0.99737	0.66620	0.34740
4	0.00263	0.66620	0.15260

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

Atom	x	y	z
1	0.00000	0.51600	0.25000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.01600	0.25000

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

Atom	x	y	z
1	0.00000	0.48400	0.75000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.98400	0.75000

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

Atom	x	y	z
1	0.16667	0.01600	0.25000
2	0.83333	0.01600	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.51600	0.25000
4	0.33333	0.51600	0.25000

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

Atom	x	y	z
1	0.16667	0.98400	0.75000
2	0.83333	0.98400	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.66667	0.48400	0.75000
4	0.33333	0.48400	0.75000

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

Atom	x	y	z
1	0.09320	0.23940	0.24700
2	0.90680	0.23940	0.25300
(1/2,1/2,0) + set click here to show and hide
3	0.59320	0.73940	0.24700
4	0.40680	0.73940	0.25300

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

Atom	x	y	z
1	0.90680	0.76060	0.75300
2	0.09320	0.76060	0.74700
(1/2,1/2,0) + set click here to show and hide
3	0.40680	0.26060	0.75300
4	0.59320	0.26060	0.74700

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

Atom	x	y	z
1	0.25987	0.73940	0.24700
2	0.74013	0.73940	0.25300
(1/2,1/2,0) + set click here to show and hide
3	0.75987	0.23940	0.24700
4	0.24013	0.23940	0.25300

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

Atom	x	y	z
1	0.07347	0.73940	0.25300
2	0.92653	0.73940	0.24700
(1/2,1/2,0) + set click here to show and hide
3	0.57347	0.23940	0.25300
4	0.42653	0.23940	0.24700

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.07347	0.26060	0.75300
2	0.92653	0.26060	0.74700
(1/2,1/2,0) + set click here to show and hide
3	0.57347	0.76060	0.75300
4	0.42653	0.76060	0.74700

Set of atoms in the unit cell related by symmetry with the atom O2_6:

Atom	x	y	z
1	0.25987	0.26060	0.74700
2	0.74013	0.26060	0.75300
(1/2,1/2,0) + set click here to show and hide
3	0.75987	0.76060	0.74700
4	0.24013	0.76060	0.75300

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

Atom	x	y	z
1	0.00307	0.83020	0.08620
2	0.99693	0.83020	0.41380
(1/2,1/2,0) + set click here to show and hide
3	0.50307	0.33020	0.08620
4	0.49693	0.33020	0.41380

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

Atom	x	y	z
1	0.99693	0.16980	0.91380
2	0.00307	0.16980	0.58620
(1/2,1/2,0) + set click here to show and hide
3	0.49693	0.66980	0.91380
4	0.50307	0.66980	0.58620

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

Atom	x	y	z
1	0.16973	0.33020	0.08620
2	0.83027	0.33020	0.41380
(1/2,1/2,0) + set click here to show and hide
3	0.66973	0.83020	0.08620
4	0.33027	0.83020	0.41380

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.16360	0.33020	0.41380
2	0.83640	0.33020	0.08620
(1/2,1/2,0) + set click here to show and hide
3	0.66360	0.83020	0.41380
4	0.33640	0.83020	0.08620

Set of atoms in the unit cell related by symmetry with the atom O3_5:

Atom	x	y	z
1	0.16360	0.66980	0.91380
2	0.83640	0.66980	0.58620
(1/2,1/2,0) + set click here to show and hide
3	0.66360	0.16980	0.91380
4	0.33640	0.16980	0.58620

Set of atoms in the unit cell related by symmetry with the atom O3_6:

Atom	x	y	z
1	0.16973	0.66980	0.58620
2	0.83027	0.66980	0.91380
(1/2,1/2,0) + set click here to show and hide
3	0.66973	0.16980	0.58620
4	0.33027	0.16980	0.91380

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

Atom	x	y	z
1	0.08947	0.08390	0.08010
2	0.91053	0.08390	0.41990
(1/2,1/2,0) + set click here to show and hide
3	0.58947	0.58390	0.08010
4	0.41053	0.58390	0.41990

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

Atom	x	y	z
1	0.91053	0.91610	0.91990
2	0.08947	0.91610	0.58010
(1/2,1/2,0) + set click here to show and hide
3	0.41053	0.41610	0.91990
4	0.58947	0.41610	0.58010

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

Atom	x	y	z
1	0.25613	0.58390	0.08010
2	0.74387	0.58390	0.41990
(1/2,1/2,0) + set click here to show and hide
3	0.75613	0.08390	0.08010
4	0.24387	0.08390	0.41990

Set of atoms in the unit cell related by symmetry with the atom O4_4:

Atom	x	y	z
1	0.07720	0.58390	0.41990
2	0.92280	0.58390	0.08010
(1/2,1/2,0) + set click here to show and hide
3	0.57720	0.08390	0.41990
4	0.42280	0.08390	0.08010

Set of atoms in the unit cell related by symmetry with the atom O4_5:

Atom	x	y	z
1	0.07720	0.41610	0.91990
2	0.92280	0.41610	0.58010
(1/2,1/2,0) + set click here to show and hide
3	0.57720	0.91610	0.91990
4	0.42280	0.91610	0.58010

Set of atoms in the unit cell related by symmetry with the atom O4_6:

Atom	x	y	z
1	0.25613	0.41610	0.58010
2	0.74387	0.41610	0.91990
(1/2,1/2,0) + set click here to show and hide
3	0.75613	0.91610	0.58010
4	0.24387	0.91610	0.91990

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

Atom	x	y	z
1	0.25143	0.08510	0.09090
2	0.74857	0.08510	0.40910
(1/2,1/2,0) + set click here to show and hide
3	0.75143	0.58510	0.09090
4	0.24857	0.58510	0.40910

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

Atom	x	y	z
1	0.74857	0.91490	0.90910
2	0.25143	0.91490	0.59090
(1/2,1/2,0) + set click here to show and hide
3	0.24857	0.41490	0.90910
4	0.75143	0.41490	0.59090

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

Atom	x	y	z
1	0.41810	0.58510	0.09090
2	0.58190	0.58510	0.40910
(1/2,1/2,0) + set click here to show and hide
3	0.91810	0.08510	0.09090
4	0.08190	0.08510	0.40910

Set of atoms in the unit cell related by symmetry with the atom O5_4:

Atom	x	y	z
1	0.91523	0.58510	0.40910
2	0.08477	0.58510	0.09090
(1/2,1/2,0) + set click here to show and hide
3	0.41523	0.08510	0.40910
4	0.58477	0.08510	0.09090

Set of atoms in the unit cell related by symmetry with the atom O5_5:

Atom	x	y	z
1	0.91523	0.41490	0.90910
2	0.08477	0.41490	0.59090
(1/2,1/2,0) + set click here to show and hide
3	0.41523	0.91490	0.90910
4	0.58477	0.91490	0.59090

Set of atoms in the unit cell related by symmetry with the atom O5_6:

Atom	x	y	z
1	0.41810	0.41490	0.59090
2	0.58190	0.41490	0.90910
(1/2,1/2,0) + set click here to show and hide
3	0.91810	0.91490	0.59090
4	0.08190	0.91490	0.90910

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	4.08(2)	0.0	4.08
Mn1_2	Mn	0.16667	0.50000	0.00000	4	m_x,m_y,m_z	-2.04	3.53	4.08
Mn1_3	Mn	0.16667	0.50000	0.50000	4	m_x,m_y,m_z	2.04	-3.53	4.08

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

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

Ba₃MnSb₂O₉ (#1.0.46)

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mB1	2	1	special	primary	3
mB2	2	1	special	primary	3
mGM1+	1	1		secondary	3	no

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

Ba3MnSb2O9 (#1.0.46)

Ba₃MnSb₂O₉ (#1.0.46)