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	{ 2₀₀₁ \| 0 0 1/2 }
3	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
4	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	x,-y,z,-1	m'₀₁₀
4	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Co1_1	Co	0.33320	0.99660	0.55700	0.51	4	m_x,m_y,m_z	2.82(13)	-1.31(9)	3.11
Co1_2	Co	0.83347	0.49660	0.55700	0.51	4	m_x,m_y,m_z	2.82	-1.31	3.11
Co1_3	Co	0.49987	0.50340	0.05700	0.51	4	m_x,m_y,m_z	0.0	2.62(17)	2.62
Co2_1	Co	0.33133	0.17460	0.81700	0.86	4	m_x,m_y,m_z	-2.59(58)	1.02(45)	2.78
Co2_2	Co	0.83533	0.67460	0.81700	0.86	4	m_x,m_y,m_z	-2.59	1.02	2.78
Co2_3	Co	0.49800	0.32540	0.31700	0.86	4	m_x,m_y,m_z	0.0	-2.04(90)	2.04
Co3_1	Co	0.08370	0.58570	0.31260	0.8	4	m_x,m_y,m_z	2.19(57)	0.97(45)	2.40
Co3_2	Co	0.08297	0.08570	0.31260	0.8	4	m_x,m_y,m_z	0.0	-1.94(90)	1.94
Co3_3	Co	0.25037	0.91430	0.81260	0.8	4	m_x,m_y,m_z	-2.19	0.97	2.40
Co4_1	Co	0.24873	0.08260	0.31550	0.83	4	m_x,m_y,m_z	-2.44(17)	0.53(8)	2.50
Co4_2	Co	0.91793	0.58260	0.31550	0.83	4	m_x,m_y,m_z	-2.44	0.53	2.50
Co4_3	Co	0.41540	0.41740	0.81550	0.83	4	m_x,m_y,m_z	0.0	-1.07(17)	1.07

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ca1_1	Ca	0.16793	0.16950	0.62650	1.	4
Ca1_2	Ca	0.99873	0.66950	0.62650	1.	4
Ca1_3	Ca	0.33460	0.33050	0.12650	1.	4
Ba1_1	Ba	0.16553	0.16130	0.99930	1.	4
Ba1_2	Ba	0.00113	0.66130	0.99930	1.	4
Ba1_3	Ba	0.33220	0.33870	0.49930	1.	4
Fe1_1	Fe	0.33320	0.99660	0.55700	0.49	4
Fe1_2	Fe	0.83347	0.49660	0.55700	0.49	4
Fe1_3	Fe	0.49987	0.50340	0.05700	0.49	4
Fe2_1	Fe	0.33133	0.17460	0.81700	0.14	4
Fe2_2	Fe	0.83533	0.67460	0.81700	0.14	4
Fe2_3	Fe	0.49800	0.32540	0.31700	0.14	4
Fe3_1	Fe	0.08370	0.58570	0.31260	0.2	4
Fe3_2	Fe	0.08297	0.08570	0.31260	0.2	4
Fe3_3	Fe	0.25037	0.91430	0.81260	0.2	4
Fe4_1	Fe	0.24873	0.08260	0.31550	0.17	4
Fe4_2	Fe	0.91793	0.58260	0.31550	0.17	4
Fe4_3	Fe	0.41540	0.41740	0.81550	0.17	4
O1_1	O	0.08730	0.24630	0.23210	1.	4
O1_2	O	0.07937	0.74630	0.23210	1.	4
O1_3	O	0.25397	0.25370	0.73210	1.	4
O2_1	O	0.24510	0.75250	0.28210	1.	4
O2_2	O	0.92157	0.25250	0.28210	1.	4
O2_3	O	0.41177	0.74750	0.78210	1.	4
O3_1	O	0.33267	0.50600	0.76990	1.	4
O3_2	O	0.83400	0.00600	0.76990	1.	4
O3_3	O	0.49933	0.99400	0.26990	1.	4
O4_1	O	0.00000	0.99900	0.74720	1.	4
O4_2	O	0.16667	0.49900	0.74720	1.	4
O4_3	O	0.16667	0.50100	0.24720	1.	4
O5_1	O	0.08523	0.94390	0.99760	1.	4
O5_2	O	0.08143	0.44390	0.99760	1.	4
O5_3	O	0.25190	0.55610	0.49760	1.	4
O6_1	O	0.23953	0.40460	0.99610	1.	4
O6_2	O	0.92713	0.90460	0.99610	1.	4
O6_3	O	0.40620	0.09540	0.49610	1.	4
O7_1	O	0.02117	0.84600	0.49110	1.	4
O7_2	O	0.14550	0.34600	0.49110	1.	4
O7_3	O	0.18783	0.65400	0.99110	1.	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 Co1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.33320	0.99660	0.55700	m_x,m_y,m_z	2.82000	-1.31000
2	0.66680	0.00340	0.05700	-m_x,-m_y,m_z	-2.82000	-1.31000
3	0.83320	0.50340	0.05700	m_x,-m_y,m_z	2.82000	-1.31000
4	0.16680	0.49660	0.55700	-m_x,m_y,m_z	-2.82000	-1.31000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.83347	0.49660	0.55700	m_x,m_y,m_z	2.82000	-1.31000
2	0.16653	0.50340	0.05700	-m_x,-m_y,m_z	-2.82000	-1.31000
3	0.33347	0.00340	0.05700	m_x,-m_y,m_z	2.82000	-1.31000
4	0.66653	0.99660	0.55700	-m_x,m_y,m_z	-2.82000	-1.31000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.49987	0.50340	0.05700	m_x,m_y,m_z	2.62000
2	0.50013	0.49660	0.55700	-m_x,-m_y,m_z	2.62000
3	0.99987	0.99660	0.55700	m_x,-m_y,m_z	2.62000
4	0.00013	0.00340	0.05700	-m_x,m_y,m_z	2.62000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.33133	0.17460	0.81700	m_x,m_y,m_z	-2.59000	1.02000
2	0.66867	0.82540	0.31700	-m_x,-m_y,m_z	2.59000	1.02000
3	0.83133	0.32540	0.31700	m_x,-m_y,m_z	-2.59000	1.02000
4	0.16867	0.67460	0.81700	-m_x,m_y,m_z	2.59000	1.02000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.83533	0.67460	0.81700	m_x,m_y,m_z	-2.59000	1.02000
2	0.16467	0.32540	0.31700	-m_x,-m_y,m_z	2.59000	1.02000
3	0.33533	0.82540	0.31700	m_x,-m_y,m_z	-2.59000	1.02000
4	0.66467	0.17460	0.81700	-m_x,m_y,m_z	2.59000	1.02000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.49800	0.32540	0.31700	m_x,m_y,m_z	-2.04000
2	0.50200	0.67460	0.81700	-m_x,-m_y,m_z	-2.04000
3	0.99800	0.17460	0.81700	m_x,-m_y,m_z	-2.04000
4	0.00200	0.82540	0.31700	-m_x,m_y,m_z	-2.04000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.08370	0.58570	0.31260	m_x,m_y,m_z	2.19000	0.97000
2	0.91630	0.41430	0.81260	-m_x,-m_y,m_z	-2.19000	0.97000
3	0.58370	0.91430	0.81260	m_x,-m_y,m_z	2.19000	0.97000
4	0.41630	0.08570	0.31260	-m_x,m_y,m_z	-2.19000	0.97000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3_2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.08297	0.08570	0.31260	m_x,m_y,m_z	-1.94000
2	0.91703	0.91430	0.81260	-m_x,-m_y,m_z	-1.94000
3	0.58297	0.41430	0.81260	m_x,-m_y,m_z	-1.94000
4	0.41703	0.58570	0.31260	-m_x,m_y,m_z	-1.94000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.25037	0.91430	0.81260	m_x,m_y,m_z	-2.19000	0.97000
2	0.74963	0.08570	0.31260	-m_x,-m_y,m_z	2.19000	0.97000
3	0.75037	0.58570	0.31260	m_x,-m_y,m_z	-2.19000	0.97000
4	0.24963	0.41430	0.81260	-m_x,m_y,m_z	2.19000	0.97000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co4_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.24873	0.08260	0.31550	m_x,m_y,m_z	-2.44000	0.53000
2	0.75127	0.91740	0.81550	-m_x,-m_y,m_z	2.44000	0.53000
3	0.74873	0.41740	0.81550	m_x,-m_y,m_z	-2.44000	0.53000
4	0.25127	0.58260	0.31550	-m_x,m_y,m_z	2.44000	0.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co4_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.91793	0.58260	0.31550	m_x,m_y,m_z	-2.44000	0.53000
2	0.08207	0.41740	0.81550	-m_x,-m_y,m_z	2.44000	0.53000
3	0.41793	0.91740	0.81550	m_x,-m_y,m_z	-2.44000	0.53000
4	0.58207	0.08260	0.31550	-m_x,m_y,m_z	2.44000	0.53000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co4_3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.41540	0.41740	0.81550	m_x,m_y,m_z	-1.07000
2	0.58460	0.58260	0.31550	-m_x,-m_y,m_z	-1.07000
3	0.91540	0.08260	0.31550	m_x,-m_y,m_z	-1.07000
4	0.08460	0.91740	0.81550	-m_x,m_y,m_z	-1.07000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.16793	0.16950	0.62650
2	0.83207	0.83050	0.12650
3	0.66793	0.33050	0.12650
4	0.33207	0.66950	0.62650

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.99873	0.66950	0.62650
2	0.00127	0.33050	0.12650
3	0.49873	0.83050	0.12650
4	0.50127	0.16950	0.62650

Set of atoms in the unit cell related by symmetry with the atom Ca1_3:

Atom	x	y	z
1	0.33460	0.33050	0.12650
2	0.66540	0.66950	0.62650
3	0.83460	0.16950	0.62650
4	0.16540	0.83050	0.12650

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

Atom	x	y	z
1	0.16553	0.16130	0.99930
2	0.83447	0.83870	0.49930
3	0.66553	0.33870	0.49930
4	0.33447	0.66130	0.99930

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

Atom	x	y	z
1	0.00113	0.66130	0.99930
2	0.99887	0.33870	0.49930
3	0.50113	0.83870	0.49930
4	0.49887	0.16130	0.99930

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

Atom	x	y	z
1	0.33220	0.33870	0.49930
2	0.66780	0.66130	0.99930
3	0.83220	0.16130	0.99930
4	0.16780	0.83870	0.49930

Set of atoms in the unit cell related by symmetry with the atom Fe1_1:

Atom	x	y	z
1	0.33320	0.99660	0.55700
2	0.66680	0.00340	0.05700
3	0.83320	0.50340	0.05700
4	0.16680	0.49660	0.55700

Set of atoms in the unit cell related by symmetry with the atom Fe1_2:

Atom	x	y	z
1	0.83347	0.49660	0.55700
2	0.16653	0.50340	0.05700
3	0.33347	0.00340	0.05700
4	0.66653	0.99660	0.55700

Set of atoms in the unit cell related by symmetry with the atom Fe1_3:

Atom	x	y	z
1	0.49987	0.50340	0.05700
2	0.50013	0.49660	0.55700
3	0.99987	0.99660	0.55700
4	0.00013	0.00340	0.05700

Set of atoms in the unit cell related by symmetry with the atom Fe2_1:

Atom	x	y	z
1	0.33133	0.17460	0.81700
2	0.66867	0.82540	0.31700
3	0.83133	0.32540	0.31700
4	0.16867	0.67460	0.81700

Set of atoms in the unit cell related by symmetry with the atom Fe2_2:

Atom	x	y	z
1	0.83533	0.67460	0.81700
2	0.16467	0.32540	0.31700
3	0.33533	0.82540	0.31700
4	0.66467	0.17460	0.81700

Set of atoms in the unit cell related by symmetry with the atom Fe2_3:

Atom	x	y	z
1	0.49800	0.32540	0.31700
2	0.50200	0.67460	0.81700
3	0.99800	0.17460	0.81700
4	0.00200	0.82540	0.31700

Set of atoms in the unit cell related by symmetry with the atom Fe3_1:

Atom	x	y	z
1	0.08370	0.58570	0.31260
2	0.91630	0.41430	0.81260
3	0.58370	0.91430	0.81260
4	0.41630	0.08570	0.31260

Set of atoms in the unit cell related by symmetry with the atom Fe3_2:

Atom	x	y	z
1	0.08297	0.08570	0.31260
2	0.91703	0.91430	0.81260
3	0.58297	0.41430	0.81260
4	0.41703	0.58570	0.31260

Set of atoms in the unit cell related by symmetry with the atom Fe3_3:

Atom	x	y	z
1	0.25037	0.91430	0.81260
2	0.74963	0.08570	0.31260
3	0.75037	0.58570	0.31260
4	0.24963	0.41430	0.81260

Set of atoms in the unit cell related by symmetry with the atom Fe4_1:

Atom	x	y	z
1	0.24873	0.08260	0.31550
2	0.75127	0.91740	0.81550
3	0.74873	0.41740	0.81550
4	0.25127	0.58260	0.31550

Set of atoms in the unit cell related by symmetry with the atom Fe4_2:

Atom	x	y	z
1	0.91793	0.58260	0.31550
2	0.08207	0.41740	0.81550
3	0.41793	0.91740	0.81550
4	0.58207	0.08260	0.31550

Set of atoms in the unit cell related by symmetry with the atom Fe4_3:

Atom	x	y	z
1	0.41540	0.41740	0.81550
2	0.58460	0.58260	0.31550
3	0.91540	0.08260	0.31550
4	0.08460	0.91740	0.81550

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

Atom	x	y	z
1	0.08730	0.24630	0.23210
2	0.91270	0.75370	0.73210
3	0.58730	0.25370	0.73210
4	0.41270	0.74630	0.23210

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

Atom	x	y	z
1	0.07937	0.74630	0.23210
2	0.92063	0.25370	0.73210
3	0.57937	0.75370	0.73210
4	0.42063	0.24630	0.23210

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

Atom	x	y	z
1	0.25397	0.25370	0.73210
2	0.74603	0.74630	0.23210
3	0.75397	0.24630	0.23210
4	0.24603	0.75370	0.73210

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

Atom	x	y	z
1	0.24510	0.75250	0.28210
2	0.75490	0.24750	0.78210
3	0.74510	0.74750	0.78210
4	0.25490	0.25250	0.28210

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

Atom	x	y	z
1	0.92157	0.25250	0.28210
2	0.07843	0.74750	0.78210
3	0.42157	0.24750	0.78210
4	0.57843	0.75250	0.28210

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

Atom	x	y	z
1	0.41177	0.74750	0.78210
2	0.58823	0.25250	0.28210
3	0.91177	0.75250	0.28210
4	0.08823	0.24750	0.78210

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

Atom	x	y	z
1	0.33267	0.50600	0.76990
2	0.66733	0.49400	0.26990
3	0.83267	0.99400	0.26990
4	0.16733	0.00600	0.76990

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

Atom	x	y	z
1	0.83400	0.00600	0.76990
2	0.16600	0.99400	0.26990
3	0.33400	0.49400	0.26990
4	0.66600	0.50600	0.76990

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

Atom	x	y	z
1	0.49933	0.99400	0.26990
2	0.50067	0.00600	0.76990
3	0.99933	0.50600	0.76990
4	0.00067	0.49400	0.26990

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

Atom	x	y	z
1	0.00000	0.99900	0.74720
2	0.00000	0.00100	0.24720
3	0.50000	0.50100	0.24720
4	0.50000	0.49900	0.74720

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

Atom	x	y	z
1	0.16667	0.49900	0.74720
2	0.83333	0.50100	0.24720
3	0.66667	0.00100	0.24720
4	0.33333	0.99900	0.74720

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

Atom	x	y	z
1	0.16667	0.50100	0.24720
2	0.83333	0.49900	0.74720
3	0.66667	0.99900	0.74720
4	0.33333	0.00100	0.24720

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

Atom	x	y	z
1	0.08523	0.94390	0.99760
2	0.91477	0.05610	0.49760
3	0.58523	0.55610	0.49760
4	0.41477	0.44390	0.99760

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

Atom	x	y	z
1	0.08143	0.44390	0.99760
2	0.91857	0.55610	0.49760
3	0.58143	0.05610	0.49760
4	0.41857	0.94390	0.99760

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

Atom	x	y	z
1	0.25190	0.55610	0.49760
2	0.74810	0.44390	0.99760
3	0.75190	0.94390	0.99760
4	0.24810	0.05610	0.49760

Set of atoms in the unit cell related by symmetry with the atom O6_1:

Atom	x	y	z
1	0.23953	0.40460	0.99610
2	0.76047	0.59540	0.49610
3	0.73953	0.09540	0.49610
4	0.26047	0.90460	0.99610

Set of atoms in the unit cell related by symmetry with the atom O6_2:

Atom	x	y	z
1	0.92713	0.90460	0.99610
2	0.07287	0.09540	0.49610
3	0.42713	0.59540	0.49610
4	0.57287	0.40460	0.99610

Set of atoms in the unit cell related by symmetry with the atom O6_3:

Atom	x	y	z
1	0.40620	0.09540	0.49610
2	0.59380	0.90460	0.99610
3	0.90620	0.40460	0.99610
4	0.09380	0.59540	0.49610

Set of atoms in the unit cell related by symmetry with the atom O7_1:

Atom	x	y	z
1	0.02117	0.84600	0.49110
2	0.97883	0.15400	0.99110
3	0.52117	0.65400	0.99110
4	0.47883	0.34600	0.49110

Set of atoms in the unit cell related by symmetry with the atom O7_2:

Atom	x	y	z
1	0.14550	0.34600	0.49110
2	0.85450	0.65400	0.99110
3	0.64550	0.15400	0.99110
4	0.35450	0.84600	0.49110

Set of atoms in the unit cell related by symmetry with the atom O7_3:

Atom	x	y	z
1	0.18783	0.65400	0.99110
2	0.81217	0.34600	0.49110
3	0.68783	0.84600	0.49110
4	0.31217	0.15400	0.99110

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Co1_1	Co	0.33320	0.99660	0.55700	0.51	4	m_x,m_y,m_z	2.82(13)	-1.31(9)	3.11
Co1_2	Co	0.83347	0.49660	0.55700	0.51	4	m_x,m_y,m_z	2.82	-1.31	3.11
Co1_3	Co	0.49987	0.50340	0.05700	0.51	4	m_x,m_y,m_z	0.0	2.62(17)	2.62
Co2_1	Co	0.33133	0.17460	0.81700	0.86	4	m_x,m_y,m_z	-2.59(58)	1.02(45)	2.78
Co2_2	Co	0.83533	0.67460	0.81700	0.86	4	m_x,m_y,m_z	-2.59	1.02	2.78
Co2_3	Co	0.49800	0.32540	0.31700	0.86	4	m_x,m_y,m_z	0.0	-2.04(90)	2.04
Co3_1	Co	0.08370	0.58570	0.31260	0.8	4	m_x,m_y,m_z	2.19(57)	0.97(45)	2.40
Co3_2	Co	0.08297	0.08570	0.31260	0.8	4	m_x,m_y,m_z	0.0	-1.94(90)	1.94
Co3_3	Co	0.25037	0.91430	0.81260	0.8	4	m_x,m_y,m_z	-2.19	0.97	2.40
Co4_1	Co	0.24873	0.08260	0.31550	0.83	4	m_x,m_y,m_z	-2.44(17)	0.53(8)	2.50
Co4_2	Co	0.91793	0.58260	0.31550	0.83	4	m_x,m_y,m_z	-2.44	0.53	2.50
Co4_3	Co	0.41540	0.41740	0.81550	0.83	4	m_x,m_y,m_z	0.0	-1.07(17)	1.07

[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: