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 }
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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\|
Tb	Tb	0.43565	0.25040	0.11295	16	m_x.m_y,m_z,	8.31(3)	0.13(5)	-0.03(4)	8.31
Fe	Fe	0.45776	0.23420	0.37990	16	m_x.m_y,m_z,	4.05(5)	1.96(5)	0.18(8)	4.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.07930	0.26110	0.01170	16
Ba2	Ba	0.05825	0.25470	0.25355	16
O1	O	0.43850	0.26540	0.26245	16
O2	O	0.15755	0.23090	0.21185	16
O3	O	0.11345	0.06000	0.37920	16
O4	O	0.26215	0.04950	0.14415	16
O5	O	0.23795	0.54370	0.13600	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 Tb:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43565	0.25040	0.11295	m_x,m_z,0	8.31000	0.13000	-0.03000
2	0.68565	0.24960	0.36295	m_x,-m_z,0	8.31000	-0.13000	-0.03000
3	0.56435	0.74960	0.88705	m_x,m_z,0	8.31000	0.13000	-0.03000
4	0.31435	0.75040	0.63705	m_x,-m_z,0	8.31000	-0.13000	-0.03000
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5	0.93565	0.25040	0.61295	m_x,m_z,0	8.31000	0.13000	-0.03000
6	0.18565	0.24960	0.86295	m_x,-m_z,0	8.31000	-0.13000	-0.03000
7	0.06435	0.74960	0.38705	m_x,m_z,0	8.31000	0.13000	-0.03000
8	0.81435	0.75040	0.13705	m_x,-m_z,0	8.31000	-0.13000	-0.03000
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9	0.93565	0.25040	0.11295	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
10	0.18565	0.24960	0.36295	-m_x,m_z,0	-8.31000	0.13000	0.03000
11	0.06435	0.74960	0.88705	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
12	0.81435	0.75040	0.63705	-m_x,m_z,0	-8.31000	0.13000	0.03000
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13	0.43565	0.25040	0.61295	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
14	0.68565	0.24960	0.86295	-m_x,m_z,0	-8.31000	0.13000	0.03000
15	0.56435	0.74960	0.38705	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
16	0.31435	0.75040	0.13705	-m_x,m_z,0	-8.31000	0.13000	0.03000

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	0.45776	0.23420	0.37990	m_x,m_z,0	4.05000	1.96000	0.18000
2	0.70776	0.26580	0.62990	m_x,-m_z,0	4.05000	-1.96000	0.18000
3	0.54224	0.76580	0.62010	m_x,m_z,0	4.05000	1.96000	0.18000
4	0.29224	0.73420	0.37010	m_x,-m_z,0	4.05000	-1.96000	0.18000
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5	0.95776	0.23420	0.87990	m_x,m_z,0	4.05000	1.96000	0.18000
6	0.20776	0.26580	0.12990	m_x,-m_z,0	4.05000	-1.96000	0.18000
7	0.04224	0.76580	0.12010	m_x,m_z,0	4.05000	1.96000	0.18000
8	0.79224	0.73420	0.87010	m_x,-m_z,0	4.05000	-1.96000	0.18000
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9	0.95776	0.23420	0.37990	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
10	0.20776	0.26580	0.62990	-m_x,m_z,0	-4.05000	1.96000	-0.18000
11	0.04224	0.76580	0.62010	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
12	0.79224	0.73420	0.37010	-m_x,m_z,0	-4.05000	1.96000	-0.18000
(0,0,1/2)' + set click here to show and hide
13	0.45776	0.23420	0.87990	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
14	0.70776	0.26580	0.12990	-m_x,m_z,0	-4.05000	1.96000	-0.18000
15	0.54224	0.76580	0.12010	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
16	0.29224	0.73420	0.87010	-m_x,m_z,0	-4.05000	1.96000	-0.18000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.07930	0.26110	0.01170
2	0.32930	0.23890	0.26170
3	0.92070	0.73890	0.98830
4	0.67070	0.76110	0.73830
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5	0.57930	0.26110	0.51170
6	0.82930	0.23890	0.76170
7	0.42070	0.73890	0.48830
8	0.17070	0.76110	0.23830
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9	0.57930	0.26110	0.01170
10	0.82930	0.23890	0.26170
11	0.42070	0.73890	0.98830
12	0.17070	0.76110	0.73830
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13	0.07930	0.26110	0.51170
14	0.32930	0.23890	0.76170
15	0.92070	0.73890	0.48830
16	0.67070	0.76110	0.23830

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

Atom	x	y	z
1	0.05825	0.25470	0.25355
2	0.30825	0.24530	0.50355
3	0.94175	0.74530	0.74645
4	0.69175	0.75470	0.49645
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5	0.55825	0.25470	0.75355
6	0.80825	0.24530	0.00355
7	0.44175	0.74530	0.24645
8	0.19175	0.75470	0.99645
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9	0.55825	0.25470	0.25355
10	0.80825	0.24530	0.50355
11	0.44175	0.74530	0.74645
12	0.19175	0.75470	0.49645
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13	0.05825	0.25470	0.75355
14	0.30825	0.24530	0.00355
15	0.94175	0.74530	0.24645
16	0.69175	0.75470	0.99645

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

Atom	x	y	z
1	0.43850	0.26540	0.26245
2	0.68850	0.23460	0.51245
3	0.56150	0.73460	0.73755
4	0.31150	0.76540	0.48755
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5	0.93850	0.26540	0.76245
6	0.18850	0.23460	0.01245
7	0.06150	0.73460	0.23755
8	0.81150	0.76540	0.98755
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9	0.93850	0.26540	0.26245
10	0.18850	0.23460	0.51245
11	0.06150	0.73460	0.73755
12	0.81150	0.76540	0.48755
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13	0.43850	0.26540	0.76245
14	0.68850	0.23460	0.01245
15	0.56150	0.73460	0.23755
16	0.31150	0.76540	0.98755

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

Atom	x	y	z
1	0.15755	0.23090	0.21185
2	0.40755	0.26910	0.46185
3	0.84245	0.76910	0.78815
4	0.59245	0.73090	0.53815
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5	0.65755	0.23090	0.71185
6	0.90755	0.26910	0.96185
7	0.34245	0.76910	0.28815
8	0.09245	0.73090	0.03815
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9	0.65755	0.23090	0.21185
10	0.90755	0.26910	0.46185
11	0.34245	0.76910	0.78815
12	0.09245	0.73090	0.53815
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13	0.15755	0.23090	0.71185
14	0.40755	0.26910	0.96185
15	0.84245	0.76910	0.28815
16	0.59245	0.73090	0.03815

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

Atom	x	y	z
1	0.11345	0.06000	0.37920
2	0.36345	0.44000	0.62920
3	0.88655	0.94000	0.62080
4	0.63655	0.56000	0.37080
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5	0.61345	0.06000	0.87920
6	0.86345	0.44000	0.12920
7	0.38655	0.94000	0.12080
8	0.13655	0.56000	0.87080
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9	0.61345	0.06000	0.37920
10	0.86345	0.44000	0.62920
11	0.38655	0.94000	0.62080
12	0.13655	0.56000	0.37080
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13	0.11345	0.06000	0.87920
14	0.36345	0.44000	0.12920
15	0.88655	0.94000	0.12080
16	0.63655	0.56000	0.87080

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

Atom	x	y	z
1	0.26215	0.04950	0.14415
2	0.51215	0.45050	0.39415
3	0.73785	0.95050	0.85585
4	0.48785	0.54950	0.60585
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5	0.76215	0.04950	0.64415
6	0.01215	0.45050	0.89415
7	0.23785	0.95050	0.35585
8	0.98785	0.54950	0.10585
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9	0.76215	0.04950	0.14415
10	0.01215	0.45050	0.39415
11	0.23785	0.95050	0.85585
12	0.98785	0.54950	0.60585
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13	0.26215	0.04950	0.64415
14	0.51215	0.45050	0.89415
15	0.73785	0.95050	0.35585
16	0.48785	0.54950	0.10585

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

Atom	x	y	z
1	0.23795	0.54370	0.13600
2	0.48795	0.95630	0.38600
3	0.76205	0.45630	0.86400
4	0.51205	0.04370	0.61400
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5	0.73795	0.54370	0.63600
6	0.98795	0.95630	0.88600
7	0.26205	0.45630	0.36400
8	0.01205	0.04370	0.11400
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9	0.73795	0.54370	0.13600
10	0.98795	0.95630	0.38600
11	0.26205	0.45630	0.86400
12	0.01205	0.04370	0.61400
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13	0.23795	0.54370	0.63600
14	0.48795	0.95630	0.88600
15	0.76205	0.45630	0.36400
16	0.51205	0.04370	0.11400

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb	Tb	0.43565	0.25040	0.11295	16	m_x.m_y,m_z,	8.31(3)	0.13(5)	-0.03(4)	8.31
Fe	Fe	0.45776	0.23420	0.37990	16	m_x.m_y,m_z,	4.05(5)	1.96(5)	0.18(8)	4.50

[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 Tb:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43565	0.25040	0.11295	m_x,m_z,0	8.31000	0.13000	-0.03000
2	0.68565	0.24960	0.36295	m_x,-m_z,0	8.31000	-0.13000	-0.03000
3	0.56435	0.74960	0.88705	m_x,m_z,0	8.31000	0.13000	-0.03000
4	0.31435	0.75040	0.63705	m_x,-m_z,0	8.31000	-0.13000	-0.03000
(1/2,0,1/2) + set click here to show and hide
5	0.93565	0.25040	0.61295	m_x,m_z,0	8.31000	0.13000	-0.03000
6	0.18565	0.24960	0.86295	m_x,-m_z,0	8.31000	-0.13000	-0.03000
7	0.06435	0.74960	0.38705	m_x,m_z,0	8.31000	0.13000	-0.03000
8	0.81435	0.75040	0.13705	m_x,-m_z,0	8.31000	-0.13000	-0.03000
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9	0.93565	0.25040	0.11295	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
10	0.18565	0.24960	0.36295	-m_x,m_z,0	-8.31000	0.13000	0.03000
11	0.06435	0.74960	0.88705	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
12	0.81435	0.75040	0.63705	-m_x,m_z,0	-8.31000	0.13000	0.03000
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13	0.43565	0.25040	0.61295	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
14	0.68565	0.24960	0.86295	-m_x,m_z,0	-8.31000	0.13000	0.03000
15	0.56435	0.74960	0.38705	-m_x,-m_z,0	-8.31000	-0.13000	0.03000
16	0.31435	0.75040	0.13705	-m_x,m_z,0	-8.31000	0.13000	0.03000

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	0.45776	0.23420	0.37990	m_x,m_z,0	4.05000	1.96000	0.18000
2	0.70776	0.26580	0.62990	m_x,-m_z,0	4.05000	-1.96000	0.18000
3	0.54224	0.76580	0.62010	m_x,m_z,0	4.05000	1.96000	0.18000
4	0.29224	0.73420	0.37010	m_x,-m_z,0	4.05000	-1.96000	0.18000
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5	0.95776	0.23420	0.87990	m_x,m_z,0	4.05000	1.96000	0.18000
6	0.20776	0.26580	0.12990	m_x,-m_z,0	4.05000	-1.96000	0.18000
7	0.04224	0.76580	0.12010	m_x,m_z,0	4.05000	1.96000	0.18000
8	0.79224	0.73420	0.87010	m_x,-m_z,0	4.05000	-1.96000	0.18000
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9	0.95776	0.23420	0.37990	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
10	0.20776	0.26580	0.62990	-m_x,m_z,0	-4.05000	1.96000	-0.18000
11	0.04224	0.76580	0.62010	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
12	0.79224	0.73420	0.37010	-m_x,m_z,0	-4.05000	1.96000	-0.18000
(0,0,1/2)' + set click here to show and hide
13	0.45776	0.23420	0.87990	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
14	0.70776	0.26580	0.12990	-m_x,m_z,0	-4.05000	1.96000	-0.18000
15	0.54224	0.76580	0.12010	-m_x,-m_z,0	-4.05000	-1.96000	-0.18000
16	0.29224	0.73420	0.87010	-m_x,m_z,0	-4.05000	1.96000	-0.18000

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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

Ba₂TbFeO₅ (#1.864)

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

Ba2TbFeO5 (#1.864)

Ba₂TbFeO₅ (#1.864)