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

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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.91587	0.11721	0.37872	8	m_x,m_y,m_z	0.24(25)	3.79(8)	1.39(16)	4.04
Fe1_2	Fe	0.58413	0.36721	0.87128	8	m_x,m_y,m_z	1.60(22)	-3.38(13)	1.60(24)	4.04

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1	Ba	0.15290	0.12925	0.00880	8
Ba1_2	Ba	0.34710	0.37925	0.24120	8
Ba2_1	Ba	0.11680	0.12795	0.25435	8
Ba2_2	Ba	0.38320	0.37795	0.99565	8
Y1_1	Y	0.86996	0.12752	0.11528	8
Y1_2	Y	0.63004	0.37752	0.13472	8
O1_1	O	0.87298	0.13084	0.26177	8
O1_2	O	0.62702	0.38084	0.98823	8
O2_1	O	0.31892	0.11695	0.21612	8
O2_2	O	0.18108	0.36695	0.03388	8
O3_1	O	0.22605	0.02504	0.37639	8
O3_2	O	0.27395	0.27504	0.87361	8
O4_1	O	0.52162	0.02330	0.14280	8
O4_2	O	0.97838	0.27330	0.10720	8
O5_1	O	0.48012	0.27033	0.13614	8
O5_2	O	0.01988	0.52033	0.11386	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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.91587	0.11721	0.37872	m_x,m_y,m_z	0.24000	3.79000	1.39000
2	0.08413	0.88279	0.62128	-m_x,-m_y,-m_z	-0.24000	-3.79000	-1.39000
(0,1/2,1/2) + set click here to show and hide
3	0.91587	0.61721	0.87872	m_x,m_y,m_z	0.24000	3.79000	1.39000
4	0.08413	0.38279	0.12128	-m_x,-m_y,-m_z	-0.24000	-3.79000	-1.39000
(0,1/2,0)' + set click here to show and hide
5	0.91587	0.61721	0.37872	-m_x,-m_y,-m_z	-0.24000	-3.79000	-1.39000
6	0.08413	0.38279	0.62128	m_x,m_y,m_z	0.24000	3.79000	1.39000
(0,0,1/2)' + set click here to show and hide
7	0.91587	0.11721	0.87872	-m_x,-m_y,-m_z	-0.24000	-3.79000	-1.39000
8	0.08413	0.88279	0.12128	m_x,m_y,m_z	0.24000	3.79000	1.39000

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	0.58413	0.36721	0.87128	m_x,m_y,m_z	1.60000	-3.38000	1.60000
2	0.41587	0.63279	0.12872	-m_x,-m_y,-m_z	-1.60000	3.38000	-1.60000
(0,1/2,1/2) + set click here to show and hide
3	0.58413	0.86721	0.37128	m_x,m_y,m_z	1.60000	-3.38000	1.60000
4	0.41587	0.13279	0.62872	-m_x,-m_y,-m_z	-1.60000	3.38000	-1.60000
(0,1/2,0)' + set click here to show and hide
5	0.58413	0.86721	0.87128	-m_x,-m_y,-m_z	-1.60000	3.38000	-1.60000
6	0.41587	0.13279	0.12872	m_x,m_y,m_z	1.60000	-3.38000	1.60000
(0,0,1/2)' + set click here to show and hide
7	0.58413	0.36721	0.37128	-m_x,-m_y,-m_z	-1.60000	3.38000	-1.60000
8	0.41587	0.63279	0.62872	m_x,m_y,m_z	1.60000	-3.38000	1.60000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.15290	0.12925	0.00880
2	0.84710	0.87075	0.99120
(0,1/2,1/2) + set click here to show and hide
3	0.15290	0.62925	0.50880
4	0.84710	0.37075	0.49120
(0,1/2,0)' + set click here to show and hide
5	0.15290	0.62925	0.00880
6	0.84710	0.37075	0.99120
(0,0,1/2)' + set click here to show and hide
7	0.15290	0.12925	0.50880
8	0.84710	0.87075	0.49120

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

Atom	x	y	z
1	0.34710	0.37925	0.24120
2	0.65290	0.62075	0.75880
(0,1/2,1/2) + set click here to show and hide
3	0.34710	0.87925	0.74120
4	0.65290	0.12075	0.25880
(0,1/2,0)' + set click here to show and hide
5	0.34710	0.87925	0.24120
6	0.65290	0.12075	0.75880
(0,0,1/2)' + set click here to show and hide
7	0.34710	0.37925	0.74120
8	0.65290	0.62075	0.25880

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

Atom	x	y	z
1	0.11680	0.12795	0.25435
2	0.88320	0.87205	0.74565
(0,1/2,1/2) + set click here to show and hide
3	0.11680	0.62795	0.75435
4	0.88320	0.37205	0.24565
(0,1/2,0)' + set click here to show and hide
5	0.11680	0.62795	0.25435
6	0.88320	0.37205	0.74565
(0,0,1/2)' + set click here to show and hide
7	0.11680	0.12795	0.75435
8	0.88320	0.87205	0.24565

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

Atom	x	y	z
1	0.38320	0.37795	0.99565
2	0.61680	0.62205	0.00435
(0,1/2,1/2) + set click here to show and hide
3	0.38320	0.87795	0.49565
4	0.61680	0.12205	0.50435
(0,1/2,0)' + set click here to show and hide
5	0.38320	0.87795	0.99565
6	0.61680	0.12205	0.00435
(0,0,1/2)' + set click here to show and hide
7	0.38320	0.37795	0.49565
8	0.61680	0.62205	0.50435

Set of atoms in the unit cell related by symmetry with the atom Y1_1:

Atom	x	y	z
1	0.86996	0.12752	0.11528
2	0.13004	0.87248	0.88472
(0,1/2,1/2) + set click here to show and hide
3	0.86996	0.62752	0.61528
4	0.13004	0.37248	0.38472
(0,1/2,0)' + set click here to show and hide
5	0.86996	0.62752	0.11528
6	0.13004	0.37248	0.88472
(0,0,1/2)' + set click here to show and hide
7	0.86996	0.12752	0.61528
8	0.13004	0.87248	0.38472

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

Atom	x	y	z
1	0.63004	0.37752	0.13472
2	0.36996	0.62248	0.86528
(0,1/2,1/2) + set click here to show and hide
3	0.63004	0.87752	0.63472
4	0.36996	0.12248	0.36528
(0,1/2,0)' + set click here to show and hide
5	0.63004	0.87752	0.13472
6	0.36996	0.12248	0.86528
(0,0,1/2)' + set click here to show and hide
7	0.63004	0.37752	0.63472
8	0.36996	0.62248	0.36528

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

Atom	x	y	z
1	0.87298	0.13084	0.26177
2	0.12702	0.86916	0.73823
(0,1/2,1/2) + set click here to show and hide
3	0.87298	0.63084	0.76177
4	0.12702	0.36916	0.23823
(0,1/2,0)' + set click here to show and hide
5	0.87298	0.63084	0.26177
6	0.12702	0.36916	0.73823
(0,0,1/2)' + set click here to show and hide
7	0.87298	0.13084	0.76177
8	0.12702	0.86916	0.23823

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

Atom	x	y	z
1	0.62702	0.38084	0.98823
2	0.37298	0.61916	0.01177
(0,1/2,1/2) + set click here to show and hide
3	0.62702	0.88084	0.48823
4	0.37298	0.11916	0.51177
(0,1/2,0)' + set click here to show and hide
5	0.62702	0.88084	0.98823
6	0.37298	0.11916	0.01177
(0,0,1/2)' + set click here to show and hide
7	0.62702	0.38084	0.48823
8	0.37298	0.61916	0.51177

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

Atom	x	y	z
1	0.31892	0.11695	0.21612
2	0.68108	0.88305	0.78388
(0,1/2,1/2) + set click here to show and hide
3	0.31892	0.61695	0.71612
4	0.68108	0.38305	0.28388
(0,1/2,0)' + set click here to show and hide
5	0.31892	0.61695	0.21612
6	0.68108	0.38305	0.78388
(0,0,1/2)' + set click here to show and hide
7	0.31892	0.11695	0.71612
8	0.68108	0.88305	0.28388

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

Atom	x	y	z
1	0.18108	0.36695	0.03388
2	0.81892	0.63305	0.96612
(0,1/2,1/2) + set click here to show and hide
3	0.18108	0.86695	0.53388
4	0.81892	0.13305	0.46612
(0,1/2,0)' + set click here to show and hide
5	0.18108	0.86695	0.03388
6	0.81892	0.13305	0.96612
(0,0,1/2)' + set click here to show and hide
7	0.18108	0.36695	0.53388
8	0.81892	0.63305	0.46612

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

Atom	x	y	z
1	0.22605	0.02504	0.37639
2	0.77395	0.97496	0.62361
(0,1/2,1/2) + set click here to show and hide
3	0.22605	0.52504	0.87639
4	0.77395	0.47496	0.12361
(0,1/2,0)' + set click here to show and hide
5	0.22605	0.52504	0.37639
6	0.77395	0.47496	0.62361
(0,0,1/2)' + set click here to show and hide
7	0.22605	0.02504	0.87639
8	0.77395	0.97496	0.12361

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

Atom	x	y	z
1	0.27395	0.27504	0.87361
2	0.72605	0.72496	0.12639
(0,1/2,1/2) + set click here to show and hide
3	0.27395	0.77504	0.37361
4	0.72605	0.22496	0.62639
(0,1/2,0)' + set click here to show and hide
5	0.27395	0.77504	0.87361
6	0.72605	0.22496	0.12639
(0,0,1/2)' + set click here to show and hide
7	0.27395	0.27504	0.37361
8	0.72605	0.72496	0.62639

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

Atom	x	y	z
1	0.52162	0.02330	0.14280
2	0.47838	0.97670	0.85720
(0,1/2,1/2) + set click here to show and hide
3	0.52162	0.52330	0.64280
4	0.47838	0.47670	0.35720
(0,1/2,0)' + set click here to show and hide
5	0.52162	0.52330	0.14280
6	0.47838	0.47670	0.85720
(0,0,1/2)' + set click here to show and hide
7	0.52162	0.02330	0.64280
8	0.47838	0.97670	0.35720

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

Atom	x	y	z
1	0.97838	0.27330	0.10720
2	0.02162	0.72670	0.89280
(0,1/2,1/2) + set click here to show and hide
3	0.97838	0.77330	0.60720
4	0.02162	0.22670	0.39280
(0,1/2,0)' + set click here to show and hide
5	0.97838	0.77330	0.10720
6	0.02162	0.22670	0.89280
(0,0,1/2)' + set click here to show and hide
7	0.97838	0.27330	0.60720
8	0.02162	0.72670	0.39280

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

Atom	x	y	z
1	0.48012	0.27033	0.13614
2	0.51988	0.72967	0.86386
(0,1/2,1/2) + set click here to show and hide
3	0.48012	0.77033	0.63614
4	0.51988	0.22967	0.36386
(0,1/2,0)' + set click here to show and hide
5	0.48012	0.77033	0.13614
6	0.51988	0.22967	0.86386
(0,0,1/2)' + set click here to show and hide
7	0.48012	0.27033	0.63614
8	0.51988	0.72967	0.36386

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

Atom	x	y	z
1	0.01988	0.52033	0.11386
2	0.98012	0.47967	0.88614
(0,1/2,1/2) + set click here to show and hide
3	0.01988	0.02033	0.61386
4	0.98012	0.97967	0.38614
(0,1/2,0)' + set click here to show and hide
5	0.01988	0.02033	0.11386
6	0.98012	0.97967	0.88614
(0,0,1/2)' + set click here to show and hide
7	0.01988	0.52033	0.61386
8	0.98012	0.47967	0.38614

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.91587	0.11721	0.37872	8	m_x,m_y,m_z	0.24(25)	3.79(8)	1.39(16)	4.04
Fe1_2	Fe	0.58413	0.36721	0.87128	8	m_x,m_y,m_z	1.60(22)	-3.38(13)	1.60(24)	4.04

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

label	dim. full irrep	dim. small irrep	direction	action
mD1+D2+	2	2	general	primary

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

Ba₂YFeO₅ (#1.853)

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

Ba2YFeO5 (#1.853)

Ba₂YFeO₅ (#1.853)