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+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+3/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }
7	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
8	-x+1/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 1/2 1/4 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
11	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
12	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
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13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
15	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
16	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
3	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
8	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,-z,-1	-1'
7	x,-y,z,-1	m'₀₁₀
8	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb	Yb	0.43515	0.25339	0.11703	16	m_x.m_y,m_z,	0.40(5)	0.06(12)	2.96(3)	2.97
Fe	Fe	0.45669	0.24383	0.37789	16	m_x.m_y,m_z,	0.92(4)	0.22(16)	4.01(4)	4.09

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.07453	0.24612	0.00743	16
Ba2	Ba	0.05722	0.24976	0.25111	16
O1	O	0.43596	0.26801	0.26321	16
O2	O	0.16063	0.22787	0.22038	16
O3	O	0.11561	0.05220	0.36867	16
O4	O	0.25972	0.03295	0.13256	16
O5	O	0.24380	0.52108	0.14386	16

[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 Yb:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43515	0.25339	0.11703	m_x,m_z,0	0.40000	0.06000	2.96000
2	0.68515	0.24661	0.36703	m_x,-m_z,0	0.40000	-0.06000	2.96000
3	0.56485	0.74661	0.88297	m_x,m_z,0	0.40000	0.06000	2.96000
4	0.31485	0.75339	0.63297	m_x,-m_z,0	0.40000	-0.06000	2.96000
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5	0.93515	0.25339	0.61703	m_x,m_z,0	0.40000	0.06000	2.96000
6	0.18515	0.24661	0.86703	m_x,-m_z,0	0.40000	-0.06000	2.96000
7	0.06485	0.74661	0.38297	m_x,m_z,0	0.40000	0.06000	2.96000
8	0.81485	0.75339	0.13297	m_x,-m_z,0	0.40000	-0.06000	2.96000
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9	0.93515	0.25339	0.11703	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
10	0.18515	0.24661	0.36703	-m_x,m_z,0	-0.40000	0.06000	-2.96000
11	0.06485	0.74661	0.88297	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
12	0.81485	0.75339	0.63297	-m_x,m_z,0	-0.40000	0.06000	-2.96000
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13	0.43515	0.25339	0.61703	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
14	0.68515	0.24661	0.86703	-m_x,m_z,0	-0.40000	0.06000	-2.96000
15	0.56485	0.74661	0.38297	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
16	0.31485	0.75339	0.13297	-m_x,m_z,0	-0.40000	0.06000	-2.96000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.45669	0.24383	0.37789	m_x,m_z,0	0.92000	0.22000	4.01000
2	0.70669	0.25617	0.62789	m_x,-m_z,0	0.92000	-0.22000	4.01000
3	0.54331	0.75617	0.62211	m_x,m_z,0	0.92000	0.22000	4.01000
4	0.29331	0.74383	0.37211	m_x,-m_z,0	0.92000	-0.22000	4.01000
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5	0.95669	0.24383	0.87789	m_x,m_z,0	0.92000	0.22000	4.01000
6	0.20669	0.25617	0.12789	m_x,-m_z,0	0.92000	-0.22000	4.01000
7	0.04331	0.75617	0.12211	m_x,m_z,0	0.92000	0.22000	4.01000
8	0.79331	0.74383	0.87211	m_x,-m_z,0	0.92000	-0.22000	4.01000
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9	0.95669	0.24383	0.37789	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
10	0.20669	0.25617	0.62789	-m_x,m_z,0	-0.92000	0.22000	-4.01000
11	0.04331	0.75617	0.62211	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
12	0.79331	0.74383	0.37211	-m_x,m_z,0	-0.92000	0.22000	-4.01000
(0,0,1/2)' + set click here to show and hide
13	0.45669	0.24383	0.87789	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
14	0.70669	0.25617	0.12789	-m_x,m_z,0	-0.92000	0.22000	-4.01000
15	0.54331	0.75617	0.12211	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
16	0.29331	0.74383	0.87211	-m_x,m_z,0	-0.92000	0.22000	-4.01000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.07453	0.24612	0.00743
2	0.32453	0.25388	0.25743
3	0.92547	0.75388	0.99257
4	0.67547	0.74612	0.74257
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5	0.57453	0.24612	0.50743
6	0.82453	0.25388	0.75743
7	0.42547	0.75388	0.49257
8	0.17547	0.74612	0.24257
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9	0.57453	0.24612	0.00743
10	0.82453	0.25388	0.25743
11	0.42547	0.75388	0.99257
12	0.17547	0.74612	0.74257
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13	0.07453	0.24612	0.50743
14	0.32453	0.25388	0.75743
15	0.92547	0.75388	0.49257
16	0.67547	0.74612	0.24257

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.05722	0.24976	0.25111
2	0.30722	0.25024	0.50111
3	0.94278	0.75024	0.74889
4	0.69278	0.74976	0.49889
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5	0.55722	0.24976	0.75111
6	0.80722	0.25024	0.00111
7	0.44278	0.75024	0.24889
8	0.19278	0.74976	0.99889
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9	0.55722	0.24976	0.25111
10	0.80722	0.25024	0.50111
11	0.44278	0.75024	0.74889
12	0.19278	0.74976	0.49889
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13	0.05722	0.24976	0.75111
14	0.30722	0.25024	0.00111
15	0.94278	0.75024	0.24889
16	0.69278	0.74976	0.99889

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.43596	0.26801	0.26321
2	0.68596	0.23199	0.51321
3	0.56404	0.73199	0.73679
4	0.31404	0.76801	0.48679
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5	0.93596	0.26801	0.76321
6	0.18596	0.23199	0.01321
7	0.06404	0.73199	0.23679
8	0.81404	0.76801	0.98679
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9	0.93596	0.26801	0.26321
10	0.18596	0.23199	0.51321
11	0.06404	0.73199	0.73679
12	0.81404	0.76801	0.48679
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13	0.43596	0.26801	0.76321
14	0.68596	0.23199	0.01321
15	0.56404	0.73199	0.23679
16	0.31404	0.76801	0.98679

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.16063	0.22787	0.22038
2	0.41063	0.27213	0.47038
3	0.83937	0.77213	0.77962
4	0.58937	0.72787	0.52962
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5	0.66063	0.22787	0.72038
6	0.91063	0.27213	0.97038
7	0.33937	0.77213	0.27962
8	0.08937	0.72787	0.02962
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9	0.66063	0.22787	0.22038
10	0.91063	0.27213	0.47038
11	0.33937	0.77213	0.77962
12	0.08937	0.72787	0.52962
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13	0.16063	0.22787	0.72038
14	0.41063	0.27213	0.97038
15	0.83937	0.77213	0.27962
16	0.58937	0.72787	0.02962

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.11561	0.05220	0.36867
2	0.36561	0.44780	0.61867
3	0.88439	0.94780	0.63133
4	0.63439	0.55220	0.38133
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5	0.61561	0.05220	0.86867
6	0.86561	0.44780	0.11867
7	0.38439	0.94780	0.13133
8	0.13439	0.55220	0.88133
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9	0.61561	0.05220	0.36867
10	0.86561	0.44780	0.61867
11	0.38439	0.94780	0.63133
12	0.13439	0.55220	0.38133
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13	0.11561	0.05220	0.86867
14	0.36561	0.44780	0.11867
15	0.88439	0.94780	0.13133
16	0.63439	0.55220	0.88133

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.25972	0.03295	0.13256
2	0.50972	0.46705	0.38256
3	0.74028	0.96705	0.86744
4	0.49028	0.53295	0.61744
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5	0.75972	0.03295	0.63256
6	0.00972	0.46705	0.88256
7	0.24028	0.96705	0.36744
8	0.99028	0.53295	0.11744
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9	0.75972	0.03295	0.13256
10	0.00972	0.46705	0.38256
11	0.24028	0.96705	0.86744
12	0.99028	0.53295	0.61744
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13	0.25972	0.03295	0.63256
14	0.50972	0.46705	0.88256
15	0.74028	0.96705	0.36744
16	0.49028	0.53295	0.11744

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.24380	0.52108	0.14386
2	0.49380	0.97892	0.39386
3	0.75620	0.47892	0.85614
4	0.50620	0.02108	0.60614
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5	0.74380	0.52108	0.64386
6	0.99380	0.97892	0.89386
7	0.25620	0.47892	0.35614
8	0.00620	0.02108	0.10614
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9	0.74380	0.52108	0.14386
10	0.99380	0.97892	0.39386
11	0.25620	0.47892	0.85614
12	0.00620	0.02108	0.60614
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13	0.24380	0.52108	0.64386
14	0.49380	0.97892	0.89386
15	0.75620	0.47892	0.35614
16	0.50620	0.02108	0.10614

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb	Yb	0.43515	0.25339	0.11703	16	m_x.m_y,m_z,	0.40(5)	0.06(12)	2.96(3)	2.97
Fe	Fe	0.45669	0.24383	0.37789	16	m_x.m_y,m_z,	0.92(4)	0.22(16)	4.01(4)	4.09

[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:

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43515	0.25339	0.11703	m_x,m_z,0	0.40000	0.06000	2.96000
2	0.68515	0.24661	0.36703	m_x,-m_z,0	0.40000	-0.06000	2.96000
3	0.56485	0.74661	0.88297	m_x,m_z,0	0.40000	0.06000	2.96000
4	0.31485	0.75339	0.63297	m_x,-m_z,0	0.40000	-0.06000	2.96000
(1/2,0,1/2) + set click here to show and hide
5	0.93515	0.25339	0.61703	m_x,m_z,0	0.40000	0.06000	2.96000
6	0.18515	0.24661	0.86703	m_x,-m_z,0	0.40000	-0.06000	2.96000
7	0.06485	0.74661	0.38297	m_x,m_z,0	0.40000	0.06000	2.96000
8	0.81485	0.75339	0.13297	m_x,-m_z,0	0.40000	-0.06000	2.96000
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9	0.93515	0.25339	0.11703	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
10	0.18515	0.24661	0.36703	-m_x,m_z,0	-0.40000	0.06000	-2.96000
11	0.06485	0.74661	0.88297	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
12	0.81485	0.75339	0.63297	-m_x,m_z,0	-0.40000	0.06000	-2.96000
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13	0.43515	0.25339	0.61703	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
14	0.68515	0.24661	0.86703	-m_x,m_z,0	-0.40000	0.06000	-2.96000
15	0.56485	0.74661	0.38297	-m_x,-m_z,0	-0.40000	-0.06000	-2.96000
16	0.31485	0.75339	0.13297	-m_x,m_z,0	-0.40000	0.06000	-2.96000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.45669	0.24383	0.37789	m_x,m_z,0	0.92000	0.22000	4.01000
2	0.70669	0.25617	0.62789	m_x,-m_z,0	0.92000	-0.22000	4.01000
3	0.54331	0.75617	0.62211	m_x,m_z,0	0.92000	0.22000	4.01000
4	0.29331	0.74383	0.37211	m_x,-m_z,0	0.92000	-0.22000	4.01000
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5	0.95669	0.24383	0.87789	m_x,m_z,0	0.92000	0.22000	4.01000
6	0.20669	0.25617	0.12789	m_x,-m_z,0	0.92000	-0.22000	4.01000
7	0.04331	0.75617	0.12211	m_x,m_z,0	0.92000	0.22000	4.01000
8	0.79331	0.74383	0.87211	m_x,-m_z,0	0.92000	-0.22000	4.01000
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9	0.95669	0.24383	0.37789	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
10	0.20669	0.25617	0.62789	-m_x,m_z,0	-0.92000	0.22000	-4.01000
11	0.04331	0.75617	0.62211	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
12	0.79331	0.74383	0.37211	-m_x,m_z,0	-0.92000	0.22000	-4.01000
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13	0.45669	0.24383	0.87789	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
14	0.70669	0.25617	0.12789	-m_x,m_z,0	-0.92000	0.22000	-4.01000
15	0.54331	0.75617	0.12211	-m_x,-m_z,0	-0.92000	-0.22000	-4.01000
16	0.29331	0.74383	0.87211	-m_x,m_z,0	-0.92000	0.22000	-4.01000

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label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	6

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

Ba₂YbFeO₅ (#1.865)

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

Ba2YbFeO5 (#1.865)

Ba₂YbFeO₅ (#1.865)