MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Dy1	Dy	0.00000	-0.07781	0.14053	2	m_x,m_y,m_z	5.8(1)	5.80
Dy2	Dy	0.33333	-0.07781	0.14053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy3	Dy	0.66667	-0.07781	0.14053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy4	Dy	0.83333	0.57781	0.64053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy5	Dy	0.16667	0.57781	0.64053	2	m_x,m_y,m_z	5.8(1)	5.80
Dy6	Dy	0.50000	0.57781	0.64053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy7	Dy	0.00000	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy8	Dy	0.33333	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy9	Dy	0.66667	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy10	Dy	0.83333	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00
Dy11	Dy	0.16667	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00
Dy12	Dy	0.50000	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.75274	0.39875	2
Ba2	Ba	0.16667	0.24726	0.10125	2
Ba3	Ba	0.83333	0.24726	0.10125	2
Ba4	Ba	0.33333	0.75274	0.39875	2
Ba5	Ba	0.33333	0.25274	0.60125	2
Ba6	Ba	0.50000	0.24726	0.10125	2
O1	O	0.00000	0.70860	0.08790	2
O2	O	0.16667	0.29140	0.41210	2
O3	O	0.83333	0.29140	0.41210	2
O4	O	0.33333	0.70860	0.08790	2
O5	O	0.33333	0.20860	-0.08790	2
O6	O	0.50000	0.29140	0.41210	2
O7	O	0.00000	0.61810	0.76660	2
O8	O	0.16667	0.38190	0.73340	2
O9	O	0.83333	0.38190	0.73340	2
O10	O	0.33333	0.61810	0.76660	2
O11	O	0.33333	0.11810	0.23340	2
O12	O	0.50000	0.38190	0.73340	2
O13	O	0.00000	0.51700	0.53250	2
O14	O	0.16667	0.48300	-0.03250	2
O15	O	0.83333	0.48300	-0.03250	2
O16	O	0.33333	0.51700	0.53250	2
O17	O	0.33333	0.01700	0.46750	2
O18	O	0.50000	0.48300	-0.03250	2
O19	O	0.00000	-0.07120	0.82510	2
O20	O	0.16667	0.07120	0.67490	2
O21	O	0.83333	0.07120	0.67490	2
O22	O	0.33333	-0.07120	0.82510	2
O23	O	0.33333	0.42880	0.17490	2
O24	O	0.50000	0.07120	0.67490	2

Atom	x	y	z
1	0.00000	0.75274	0.39875
2	0.00000	0.25274	0.60125

Atom	x	y	z
1	0.16667	0.24726	0.10125
2	0.83333	0.74726	0.89875

Atom	x	y	z
1	0.83333	0.24726	0.10125
2	0.16667	0.74726	0.89875

Atom	x	y	z
1	0.33333	0.75274	0.39875
2	0.66667	0.25274	0.60125

Atom	x	y	z
1	0.33333	0.25274	0.60125
2	0.66667	0.75274	0.39875

Atom	x	y	z
1	0.50000	0.24726	0.10125
2	0.50000	0.74726	0.89875

Atom	x	y	z
1	0.00000	0.70860	0.08790
2	0.00000	0.20860	0.91210

Atom	x	y	z
1	0.16667	0.29140	0.41210
2	0.83333	0.79140	0.58790

Atom	x	y	z
1	0.83333	0.29140	0.41210
2	0.16667	0.79140	0.58790

Atom	x	y	z
1	0.33333	0.70860	0.08790
2	0.66667	0.20860	0.91210

Atom	x	y	z
1	0.33333	0.20860	0.91210
2	0.66667	0.70860	0.08790

Atom	x	y	z
1	0.50000	0.29140	0.41210
2	0.50000	0.79140	0.58790

Atom	x	y	z
1	0.00000	0.61810	0.76660
2	0.00000	0.11810	0.23340

Atom	x	y	z
1	0.16667	0.38190	0.73340
2	0.83333	0.88190	0.26660

Atom	x	y	z
1	0.83333	0.38190	0.73340
2	0.16667	0.88190	0.26660

Atom	x	y	z
1	0.33333	0.61810	0.76660
2	0.66667	0.11810	0.23340

Atom	x	y	z
1	0.33333	0.11810	0.23340
2	0.66667	0.61810	0.76660

Atom	x	y	z
1	0.50000	0.38190	0.73340
2	0.50000	0.88190	0.26660

Atom	x	y	z
1	0.00000	0.51700	0.53250
2	0.00000	0.01700	0.46750

Atom	x	y	z
1	0.16667	0.48300	0.96750
2	0.83333	0.98300	0.03250

Atom	x	y	z
1	0.83333	0.48300	0.96750
2	0.16667	0.98300	0.03250

Atom	x	y	z
1	0.33333	0.51700	0.53250
2	0.66667	0.01700	0.46750

Atom	x	y	z
1	0.33333	0.01700	0.46750
2	0.66667	0.51700	0.53250

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Dy1	Dy	0.00000	-0.07781	0.14053	2	m_x,m_y,m_z	5.8(1)	5.80
Dy2	Dy	0.33333	-0.07781	0.14053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy3	Dy	0.66667	-0.07781	0.14053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy4	Dy	0.83333	0.57781	0.64053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy5	Dy	0.16667	0.57781	0.64053	2	m_x,m_y,m_z	5.8(1)	5.80
Dy6	Dy	0.50000	0.57781	0.64053	2	m_x,m_y,m_z	-9.2(1)	9.20
Dy7	Dy	0.00000	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy8	Dy	0.33333	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy9	Dy	0.66667	0.42530	0.36120	2	m_x,m_y,m_z	0.0	0.00
Dy10	Dy	0.83333	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00
Dy11	Dy	0.16667	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00
Dy12	Dy	0.50000	0.07470	0.86120	2	m_x,m_y,m_z	0.0	0.00

[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 Dy1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.92219	0.14053	m_x,m_y,m_z	0.00000	0.00000	5.80000
2	0.00000	0.42219	0.85947	m_x,-m_y,m_z	0.00000	0.00000	5.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.92219	0.14053	m_x,m_y,m_z	0.00000	0.00000	-9.20000
2	0.66667	0.42219	0.85947	m_x,-m_y,m_z	0.00000	0.00000	-9.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66667	0.92219	0.14053	m_x,m_y,m_z	0.00000	0.00000	-9.20000
2	0.33333	0.42219	0.85947	m_x,-m_y,m_z	0.00000	0.00000	-9.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83333	0.57781	0.64053	m_x,m_y,m_z	0.00000	0.00000	-9.20000
2	0.16667	0.07781	0.35947	m_x,-m_y,m_z	0.00000	0.00000	-9.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy5:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.57781	0.64053	m_x,m_y,m_z	0.00000	0.00000	5.80000
2	0.83333	0.07781	0.35947	m_x,-m_y,m_z	0.00000	0.00000	5.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy6:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.57781	0.64053	m_x,m_y,m_z	0.00000	0.00000	-9.20000
2	0.50000	0.07781	0.35947	m_x,-m_y,m_z	0.00000	0.00000	-9.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy7:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.42530	0.36120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.00000	0.92530	0.63880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy8:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.42530	0.36120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.66667	0.92530	0.63880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy9:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66667	0.42530	0.36120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.33333	0.92530	0.63880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy10:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83333	0.07470	0.86120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.16667	0.57470	0.13880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy11:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.07470	0.86120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.83333	0.57470	0.13880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy12:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.07470	0.86120	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.50000	0.57470	0.13880	m_x,-m_y,m_z	0.00000	0.00000	0.00000

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

BaDy₂O₄ (#2.74)

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM2+	1	1		primary	4
mDT2	2	1	special	primary	6
mDT4	2	1	special	primary	6
mDT1	2	1	special	secondary	6	yes
mDT3	2	1	special	secondary	6	yes
mGM4+	1	1		secondary	2	no
mGM2-	1	1		secondary	2	no
mGM4-	1	1		secondary	4	no

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

BaDy2O4 (#2.74)

BaDy₂O₄ (#2.74)