MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
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5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Fe1	Fe+3	0.26245	0.3531	0.1038	8	m_x,m_y,m_z	2.4(2)	3.4(1)	3.85
Fe2	Fe+3	0.1924	0.5816	0.186	8	m_x,m_y,m_z	-1.9(2)	-2.6(1)	2.98
Fe3	Fe+3	0.031	0.3996	0.2595	8	m_x,m_y,m_z	1.6(2)	2.4(1)	2.67
Fe4	Fe+3	0.08695	0.1525	0.4707	8	m_x,m_y,m_z	1.9(2)	2.9(1)	3.21
Fe5	Fe+3	0.21795	0.3817	0.3988	8	m_x,m_y,m_z	-2.4(2)	-3.3(1)	3.77
Fe6	Fe+3	0.13535	0.1045	0.1746	8	m_x,m_y,m_z	-1.4(2)	-3.6(1)	3.66
Fe7	Fe+3	0.0729	0.6217	0.4644	8	m_x,m_y,m_z	1.3(2)	4.2(1)	4.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba+2	0.0273	0.3517	0.1145	8
Ba2	Ba+2	0.125	0.6141	0.3283	8
Ba3	Ba+2	0.07155	0.1304	0.3215	8
Ba4	Ba+2	0.16285	0.6328	0.0379	8
Ba5	Ba+2	0.02735	0.6176	0.6001	8
Ba6	Ba+2	0.28015	0.3549	0.2558	8
Ba7	Ba+2	0.1772	0.1102	0.0364	8
O1	O-2	0	0	0	4
O2	O-2	0.1486	0.7097	0.1485	8
O3	O-2	0.4686	0.277	0.2271	8
O4	O-2	0.0191	0.0449	0.4273	8
O5	O-2	0.004	0.2474	0.0021	8
O6	O-2	0.1477	0.5	0.4297	8
O7	O-2	0.35665	0.2597	0.0766	8
O8	O-2	0.02795	0.1195	0.1079	8
O9	O-2	0.203	-0.0138	0.1436	8
O10	O-2	0.20315	0.2443	0.147	8
O11	O-2	0.05865	0.0036	0.2168	8
O12	O-2	0.225	0.1263	0.2497	8
O13	O-2	0.0972	0.4907	0.211	8
O14	O-2	0.2708	0.4917	0.1449	8
O15	O-2	0.15575	0.2406	0.4261	8
O16	O-2	0.1798	0.3923	0.0364	8
O17	O-2	0.12575	0.3583	0.3225	8
O18	O-2	0.3265	0.3669	0.4636	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.26245	0.35310	0.10380	m_x,m_y,m_z	2.40000	0.00000	3.40000
2	0.23755	0.85310	0.39620	-m_x,m_y,-m_z	-2.40000	0.00000	-3.40000
3	0.23755	0.64690	0.89620	m_x,m_y,m_z	2.40000	0.00000	3.40000
4	0.26245	0.14690	0.60380	-m_x,m_y,-m_z	-2.40000	0.00000	-3.40000
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5	0.76245	0.35310	0.10380	-m_x,-m_y,-m_z	-2.40000	0.00000	-3.40000
6	0.73755	0.85310	0.39620	m_x,-m_y,m_z	2.40000	0.00000	3.40000
7	0.73755	0.64690	0.89620	-m_x,-m_y,-m_z	-2.40000	0.00000	-3.40000
8	0.76245	0.14690	0.60380	m_x,-m_y,m_z	2.40000	0.00000	3.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.19240	0.58160	0.18600	m_x,m_y,m_z	-1.90000	0.00000	-2.60000
2	0.30760	0.08160	0.31400	-m_x,m_y,-m_z	1.90000	0.00000	2.60000
3	0.30760	0.41840	0.81400	m_x,m_y,m_z	-1.90000	0.00000	-2.60000
4	0.19240	0.91840	0.68600	-m_x,m_y,-m_z	1.90000	0.00000	2.60000
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5	0.69240	0.58160	0.18600	-m_x,-m_y,-m_z	1.90000	0.00000	2.60000
6	0.80760	0.08160	0.31400	m_x,-m_y,m_z	-1.90000	0.00000	-2.60000
7	0.80760	0.41840	0.81400	-m_x,-m_y,-m_z	1.90000	0.00000	2.60000
8	0.69240	0.91840	0.68600	m_x,-m_y,m_z	-1.90000	0.00000	-2.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.03100	0.39960	0.25950	m_x,m_y,m_z	1.60000	0.00000	2.40000
2	0.46900	0.89960	0.24050	-m_x,m_y,-m_z	-1.60000	0.00000	-2.40000
3	0.46900	0.60040	0.74050	m_x,m_y,m_z	1.60000	0.00000	2.40000
4	0.03100	0.10040	0.75950	-m_x,m_y,-m_z	-1.60000	0.00000	-2.40000
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5	0.53100	0.39960	0.25950	-m_x,-m_y,-m_z	-1.60000	0.00000	-2.40000
6	0.96900	0.89960	0.24050	m_x,-m_y,m_z	1.60000	0.00000	2.40000
7	0.96900	0.60040	0.74050	-m_x,-m_y,-m_z	-1.60000	0.00000	-2.40000
8	0.53100	0.10040	0.75950	m_x,-m_y,m_z	1.60000	0.00000	2.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08695	0.15250	0.47070	m_x,m_y,m_z	1.90000	0.00000	2.90000
2	0.41305	0.65250	0.02930	-m_x,m_y,-m_z	-1.90000	0.00000	-2.90000
3	0.41305	0.84750	0.52930	m_x,m_y,m_z	1.90000	0.00000	2.90000
4	0.08695	0.34750	0.97070	-m_x,m_y,-m_z	-1.90000	0.00000	-2.90000
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5	0.58695	0.15250	0.47070	-m_x,-m_y,-m_z	-1.90000	0.00000	-2.90000
6	0.91305	0.65250	0.02930	m_x,-m_y,m_z	1.90000	0.00000	2.90000
7	0.91305	0.84750	0.52930	-m_x,-m_y,-m_z	-1.90000	0.00000	-2.90000
8	0.58695	0.34750	0.97070	m_x,-m_y,m_z	1.90000	0.00000	2.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.21795	0.38170	0.39880	m_x,m_y,m_z	-2.40000	0.00000	-3.30000
2	0.28205	0.88170	0.10120	-m_x,m_y,-m_z	2.40000	0.00000	3.30000
3	0.28205	0.61830	0.60120	m_x,m_y,m_z	-2.40000	0.00000	-3.30000
4	0.21795	0.11830	0.89880	-m_x,m_y,-m_z	2.40000	0.00000	3.30000
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5	0.71795	0.38170	0.39880	-m_x,-m_y,-m_z	2.40000	0.00000	3.30000
6	0.78205	0.88170	0.10120	m_x,-m_y,m_z	-2.40000	0.00000	-3.30000
7	0.78205	0.61830	0.60120	-m_x,-m_y,-m_z	2.40000	0.00000	3.30000
8	0.71795	0.11830	0.89880	m_x,-m_y,m_z	-2.40000	0.00000	-3.30000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.13535	0.10450	0.17460	m_x,m_y,m_z	-1.40000	0.00000	-3.60000
2	0.36465	0.60450	0.32540	-m_x,m_y,-m_z	1.40000	0.00000	3.60000
3	0.36465	0.89550	0.82540	m_x,m_y,m_z	-1.40000	0.00000	-3.60000
4	0.13535	0.39550	0.67460	-m_x,m_y,-m_z	1.40000	0.00000	3.60000
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5	0.63535	0.10450	0.17460	-m_x,-m_y,-m_z	1.40000	0.00000	3.60000
6	0.86465	0.60450	0.32540	m_x,-m_y,m_z	-1.40000	0.00000	-3.60000
7	0.86465	0.89550	0.82540	-m_x,-m_y,-m_z	1.40000	0.00000	3.60000
8	0.63535	0.39550	0.67460	m_x,-m_y,m_z	-1.40000	0.00000	-3.60000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.07290	0.62170	0.46440	m_x,m_y,m_z	1.30000	0.00000	4.20000
2	0.42710	0.12170	0.03560	-m_x,m_y,-m_z	-1.30000	0.00000	-4.20000
3	0.42710	0.37830	0.53560	m_x,m_y,m_z	1.30000	0.00000	4.20000
4	0.07290	0.87830	0.96440	-m_x,m_y,-m_z	-1.30000	0.00000	-4.20000
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5	0.57290	0.62170	0.46440	-m_x,-m_y,-m_z	-1.30000	0.00000	-4.20000
6	0.92710	0.12170	0.03560	m_x,-m_y,m_z	1.30000	0.00000	4.20000
7	0.92710	0.37830	0.53560	-m_x,-m_y,-m_z	-1.30000	0.00000	-4.20000
8	0.57290	0.87830	0.96440	m_x,-m_y,m_z	1.30000	0.00000	4.20000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.02730	0.35170	0.11450
2	0.47270	0.85170	0.38550
3	0.47270	0.64830	0.88550
4	0.02730	0.14830	0.61450
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5	0.52730	0.35170	0.11450
6	0.97270	0.85170	0.38550
7	0.97270	0.64830	0.88550
8	0.52730	0.14830	0.61450

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

Atom	x	y	z
1	0.12500	0.61410	0.32830
2	0.37500	0.11410	0.17170
3	0.37500	0.38590	0.67170
4	0.12500	0.88590	0.82830
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5	0.62500	0.61410	0.32830
6	0.87500	0.11410	0.17170
7	0.87500	0.38590	0.67170
8	0.62500	0.88590	0.82830

Set of atoms in the unit cell related by symmetry with the atom Ba3:

Atom	x	y	z
1	0.07155	0.13040	0.32150
2	0.42845	0.63040	0.17850
3	0.42845	0.86960	0.67850
4	0.07155	0.36960	0.82150
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5	0.57155	0.13040	0.32150
6	0.92845	0.63040	0.17850
7	0.92845	0.86960	0.67850
8	0.57155	0.36960	0.82150

Set of atoms in the unit cell related by symmetry with the atom Ba4:

Atom	x	y	z
1	0.16285	0.63280	0.03790
2	0.33715	0.13280	0.46210
3	0.33715	0.36720	0.96210
4	0.16285	0.86720	0.53790
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5	0.66285	0.63280	0.03790
6	0.83715	0.13280	0.46210
7	0.83715	0.36720	0.96210
8	0.66285	0.86720	0.53790

Set of atoms in the unit cell related by symmetry with the atom Ba5:

Atom	x	y	z
1	0.02735	0.61760	0.60010
2	0.47265	0.11760	0.89990
3	0.47265	0.38240	0.39990
4	0.02735	0.88240	0.10010
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5	0.52735	0.61760	0.60010
6	0.97265	0.11760	0.89990
7	0.97265	0.38240	0.39990
8	0.52735	0.88240	0.10010

Set of atoms in the unit cell related by symmetry with the atom Ba6:

Atom	x	y	z
1	0.28015	0.35490	0.25580
2	0.21985	0.85490	0.24420
3	0.21985	0.64510	0.74420
4	0.28015	0.14510	0.75580
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5	0.78015	0.35490	0.25580
6	0.71985	0.85490	0.24420
7	0.71985	0.64510	0.74420
8	0.78015	0.14510	0.75580

Set of atoms in the unit cell related by symmetry with the atom Ba7:

Atom	x	y	z
1	0.17720	0.11020	0.03640
2	0.32280	0.61020	0.46360
3	0.32280	0.88980	0.96360
4	0.17720	0.38980	0.53640
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5	0.67720	0.11020	0.03640
6	0.82280	0.61020	0.46360
7	0.82280	0.88980	0.96360
8	0.67720	0.38980	0.53640

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000
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3	0.50000	0.00000	0.00000
4	0.00000	0.50000	0.50000

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

Atom	x	y	z
1	0.14860	0.70970	0.14850
2	0.35140	0.20970	0.35150
3	0.35140	0.29030	0.85150
4	0.14860	0.79030	0.64850
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5	0.64860	0.70970	0.14850
6	0.85140	0.20970	0.35150
7	0.85140	0.29030	0.85150
8	0.64860	0.79030	0.64850

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

Atom	x	y	z
1	0.46860	0.27700	0.22710
2	0.03140	0.77700	0.27290
3	0.03140	0.72300	0.77290
4	0.46860	0.22300	0.72710
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5	0.96860	0.27700	0.22710
6	0.53140	0.77700	0.27290
7	0.53140	0.72300	0.77290
8	0.96860	0.22300	0.72710

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

Atom	x	y	z
1	0.01910	0.04490	0.42730
2	0.48090	0.54490	0.07270
3	0.48090	0.95510	0.57270
4	0.01910	0.45510	0.92730
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5	0.51910	0.04490	0.42730
6	0.98090	0.54490	0.07270
7	0.98090	0.95510	0.57270
8	0.51910	0.45510	0.92730

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

Atom	x	y	z
1	0.00400	0.24740	0.00210
2	0.49600	0.74740	0.49790
3	0.49600	0.75260	0.99790
4	0.00400	0.25260	0.50210
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5	0.50400	0.24740	0.00210
6	0.99600	0.74740	0.49790
7	0.99600	0.75260	0.99790
8	0.50400	0.25260	0.50210

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.14770	0.50000	0.42970
2	0.35230	0.00000	0.07030
3	0.35230	0.50000	0.57030
4	0.14770	0.00000	0.92970
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5	0.64770	0.50000	0.42970
6	0.85230	0.00000	0.07030
7	0.85230	0.50000	0.57030
8	0.64770	0.00000	0.92970

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.35665	0.25970	0.07660
2	0.14335	0.75970	0.42340
3	0.14335	0.74030	0.92340
4	0.35665	0.24030	0.57660
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5	0.85665	0.25970	0.07660
6	0.64335	0.75970	0.42340
7	0.64335	0.74030	0.92340
8	0.85665	0.24030	0.57660

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.02795	0.11950	0.10790
2	0.47205	0.61950	0.39210
3	0.47205	0.88050	0.89210
4	0.02795	0.38050	0.60790
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5	0.52795	0.11950	0.10790
6	0.97205	0.61950	0.39210
7	0.97205	0.88050	0.89210
8	0.52795	0.38050	0.60790

Set of atoms in the unit cell related by symmetry with the atom O9:

Atom	x	y	z
1	0.20300	0.98620	0.14360
2	0.29700	0.48620	0.35640
3	0.29700	0.01380	0.85640
4	0.20300	0.51380	0.64360
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5	0.70300	0.98620	0.14360
6	0.79700	0.48620	0.35640
7	0.79700	0.01380	0.85640
8	0.70300	0.51380	0.64360

Set of atoms in the unit cell related by symmetry with the atom O10:

Atom	x	y	z
1	0.20315	0.24430	0.14700
2	0.29685	0.74430	0.35300
3	0.29685	0.75570	0.85300
4	0.20315	0.25570	0.64700
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5	0.70315	0.24430	0.14700
6	0.79685	0.74430	0.35300
7	0.79685	0.75570	0.85300
8	0.70315	0.25570	0.64700

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.05865	0.00360	0.21680
2	0.44135	0.50360	0.28320
3	0.44135	0.99640	0.78320
4	0.05865	0.49640	0.71680
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5	0.55865	0.00360	0.21680
6	0.94135	0.50360	0.28320
7	0.94135	0.99640	0.78320
8	0.55865	0.49640	0.71680

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.22500	0.12630	0.24970
2	0.27500	0.62630	0.25030
3	0.27500	0.87370	0.75030
4	0.22500	0.37370	0.74970
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5	0.72500	0.12630	0.24970
6	0.77500	0.62630	0.25030
7	0.77500	0.87370	0.75030
8	0.72500	0.37370	0.74970

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.09720	0.49070	0.21100
2	0.40280	0.99070	0.28900
3	0.40280	0.50930	0.78900
4	0.09720	0.00930	0.71100
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5	0.59720	0.49070	0.21100
6	0.90280	0.99070	0.28900
7	0.90280	0.50930	0.78900
8	0.59720	0.00930	0.71100

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.27080	0.49170	0.14490
2	0.22920	0.99170	0.35510
3	0.22920	0.50830	0.85510
4	0.27080	0.00830	0.64490
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5	0.77080	0.49170	0.14490
6	0.72920	0.99170	0.35510
7	0.72920	0.50830	0.85510
8	0.77080	0.00830	0.64490

Set of atoms in the unit cell related by symmetry with the atom O15:

Atom	x	y	z
1	0.15575	0.24060	0.42610
2	0.34425	0.74060	0.07390
3	0.34425	0.75940	0.57390
4	0.15575	0.25940	0.92610
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5	0.65575	0.24060	0.42610
6	0.84425	0.74060	0.07390
7	0.84425	0.75940	0.57390
8	0.65575	0.25940	0.92610

Set of atoms in the unit cell related by symmetry with the atom O16:

Atom	x	y	z
1	0.17980	0.39230	0.03640
2	0.32020	0.89230	0.46360
3	0.32020	0.60770	0.96360
4	0.17980	0.10770	0.53640
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5	0.67980	0.39230	0.03640
6	0.82020	0.89230	0.46360
7	0.82020	0.60770	0.96360
8	0.67980	0.10770	0.53640

Set of atoms in the unit cell related by symmetry with the atom O17:

Atom	x	y	z
1	0.12575	0.35830	0.32250
2	0.37425	0.85830	0.17750
3	0.37425	0.64170	0.67750
4	0.12575	0.14170	0.82250
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5	0.62575	0.35830	0.32250
6	0.87425	0.85830	0.17750
7	0.87425	0.64170	0.67750
8	0.62575	0.14170	0.82250

Set of atoms in the unit cell related by symmetry with the atom O18:

Atom	x	y	z
1	0.32650	0.36690	0.46360
2	0.17350	0.86690	0.03640
3	0.17350	0.63310	0.53640
4	0.32650	0.13310	0.96360
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5	0.82650	0.36690	0.46360
6	0.67350	0.86690	0.03640
7	0.67350	0.63310	0.53640
8	0.82650	0.13310	0.96360

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Fe1	Fe+3	0.26245	0.3531	0.1038	8	m_x,m_y,m_z	2.4(2)	3.4(1)	3.85
Fe2	Fe+3	0.1924	0.5816	0.186	8	m_x,m_y,m_z	-1.9(2)	-2.6(1)	2.98
Fe3	Fe+3	0.031	0.3996	0.2595	8	m_x,m_y,m_z	1.6(2)	2.4(1)	2.67
Fe4	Fe+3	0.08695	0.1525	0.4707	8	m_x,m_y,m_z	1.9(2)	2.9(1)	3.21
Fe5	Fe+3	0.21795	0.3817	0.3988	8	m_x,m_y,m_z	-2.4(2)	-3.3(1)	3.77
Fe6	Fe+3	0.13535	0.1045	0.1746	8	m_x,m_y,m_z	-1.4(2)	-3.6(1)	3.66
Fe7	Fe+3	0.0729	0.6217	0.4644	8	m_x,m_y,m_z	1.3(2)	4.2(1)	4.20

[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: