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	{ m₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
4	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,z,+1	m₁₀₀
3	-x,y,-z,-1	2'₀₁₀
4	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-3.3(2)	0.0	3.30
Fe2_1	Fe	0.01174	0.50266	0.75000	2	m_x,m_y,0	0.0	3.9(1)	3.90
Fe2_2	Fe	0.51174	0.99734	0.25000	2	m_x,m_y,0	0.0	3.9	3.90
Fe3_1	Fe	0.50017	0.22596	0.00257	4	m_x,m_y,m_z	4.0(1)	0.0	4.00
Fe3_2	Fe	0.00017	0.27404	0.99743	4	m_x,m_y,m_z	4.	0.0	4.00
Fe4_1	Fe	0.24924	0.10929	0.75000	2	m_x,m_y,0	0.0	-2.74(7)	2.74
Fe4_2	Fe	0.74924	0.39071	0.25000	2	m_x,m_y,0	0.0	-2.74	2.74
Fe5_1	Fe	0.75988	0.88487	0.75000	2	m_x,m_y,0	0.0	-2.74	2.74
Fe5_2	Fe	0.25988	0.61513	0.25000	2	m_x,m_y,0	0.0	-2.74	2.74

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
B1_1	B	0.76520	0.13710	0.75000	2
B1_2	B	0.26520	0.36290	0.25000	2
B2_1	B	0.22920	0.86000	0.75000	2
B2_2	B	0.72920	0.64000	0.25000	2
O1_1	O	0.34510	0.45630	0.75000	2
O1_2	O	0.84510	0.04370	0.25000	2
O2_1	O	0.65850	0.54170	0.75000	2
O2_2	O	0.15850	0.95830	0.25000	2
O3_1	O	0.88800	0.42180	0.99040	4
O3_2	O	0.38800	0.07820	0.00960	4
O4_1	O	0.12550	0.36130	0.75000	2
O4_2	O	0.62550	0.13870	0.25000	2
O5_1	O	0.88090	0.63720	0.75000	2
O5_2	O	0.38090	0.86280	0.25000	2
O6_1	O	0.61330	0.35910	0.99750	4
O6_2	O	0.11330	0.14090	0.00250	4
O7_1	O	0.34350	0.26240	0.75000	2
O7_2	O	0.84350	0.23760	0.25000	2
O8_1	O	0.66200	0.73500	0.75000	2
O8_2	O	0.16200	0.76500	0.25000	2

Atom	x	y	z
1	0.76520	0.13710	0.75000
2	0.73480	0.63710	0.75000

Atom	x	y	z
1	0.26520	0.36290	0.25000
2	0.23480	0.86290	0.25000

Atom	x	y	z
1	0.22920	0.86000	0.75000
2	0.27080	0.36000	0.75000

Atom	x	y	z
1	0.72920	0.64000	0.25000
2	0.77080	0.14000	0.25000

Atom	x	y	z
1	0.34510	0.45630	0.75000
2	0.15490	0.95630	0.75000

Atom	x	y	z
1	0.84510	0.04370	0.25000
2	0.65490	0.54370	0.25000

Atom	x	y	z
1	0.65850	0.54170	0.75000
2	0.84150	0.04170	0.75000

Atom	x	y	z
1	0.15850	0.95830	0.25000
2	0.34150	0.45830	0.25000

Atom	x	y	z
1	0.88800	0.42180	0.99040
2	0.61200	0.92180	0.99040
3	0.61200	0.92180	0.50960
4	0.88800	0.42180	0.50960

Atom	x	y	z
1	0.38800	0.07820	0.00960
2	0.11200	0.57820	0.00960
3	0.11200	0.57820	0.49040
4	0.38800	0.07820	0.49040

Atom	x	y	z
1	0.12550	0.36130	0.75000
2	0.37450	0.86130	0.75000

Atom	x	y	z
1	0.62550	0.13870	0.25000
2	0.87450	0.63870	0.25000

Atom	x	y	z
1	0.88090	0.63720	0.75000
2	0.61910	0.13720	0.75000

Atom	x	y	z
1	0.38090	0.86280	0.25000
2	0.11910	0.36280	0.25000

Atom	x	y	z
1	0.61330	0.35910	0.99750
2	0.88670	0.85910	0.99750
3	0.88670	0.85910	0.50250
4	0.61330	0.35910	0.50250

Atom	x	y	z
1	0.11330	0.14090	0.00250
2	0.38670	0.64090	0.00250
3	0.38670	0.64090	0.49750
4	0.11330	0.14090	0.49750

Atom	x	y	z
1	0.34350	0.26240	0.75000
2	0.15650	0.76240	0.75000

Atom	x	y	z
1	0.84350	0.23760	0.25000
2	0.65650	0.73760	0.25000

Atom	x	y	z
1	0.66200	0.73500	0.75000
2	0.83800	0.23500	0.75000

Atom	x	y	z
1	0.16200	0.76500	0.25000
2	0.33800	0.26500	0.25000

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-3.3(2)	0.0	3.30
Fe2_1	Fe	0.01174	0.50266	0.75000	2	m_x,m_y,0	0.0	3.9(1)	3.90
Fe2_2	Fe	0.51174	0.99734	0.25000	2	m_x,m_y,0	0.0	3.9	3.90
Fe3_1	Fe	0.50017	0.22596	0.00257	4	m_x,m_y,m_z	4.0(1)	0.0	4.00
Fe3_2	Fe	0.00017	0.27404	0.99743	4	m_x,m_y,m_z	4.	0.0	4.00
Fe4_1	Fe	0.24924	0.10929	0.75000	2	m_x,m_y,0	0.0	-2.74(7)	2.74
Fe4_2	Fe	0.74924	0.39071	0.25000	2	m_x,m_y,0	0.0	-2.74	2.74
Fe5_1	Fe	0.75988	0.88487	0.75000	2	m_x,m_y,0	0.0	-2.74	2.74
Fe5_2	Fe	0.25988	0.61513	0.25000	2	m_x,m_y,0	0.0	-2.74	2.74

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-3.30000
2	0.50000	0.50000	0.00000	m_x,-m_y,-m_z	-3.30000
3	0.50000	0.50000	0.50000	m_x,-m_y,m_z	-3.30000
4	0.00000	0.00000	0.50000	m_x,m_y,-m_z	-3.30000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.01174	0.50266	0.75000	m_x,m_y,0	0.00000	3.90000	0.00000
2	0.48826	0.00266	0.75000	m_x,-m_y,0	0.00000	-3.90000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.51174	0.99734	0.25000	m_x,m_y,0	0.00000	3.90000	0.00000
2	0.98826	0.49734	0.25000	m_x,-m_y,0	0.00000	-3.90000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.50017	0.22596	0.00257	m_x,m_y,m_z	4.00000
2	0.99983	0.72596	0.00257	m_x,-m_y,-m_z	4.00000
3	0.99983	0.72596	0.49743	m_x,-m_y,m_z	4.00000
4	0.50017	0.22596	0.49743	m_x,m_y,-m_z	4.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.00017	0.27404	0.99743	m_x,m_y,m_z	4.00000
2	0.49983	0.77404	0.99743	m_x,-m_y,-m_z	4.00000
3	0.49983	0.77404	0.50257	m_x,-m_y,m_z	4.00000
4	0.00017	0.27404	0.50257	m_x,m_y,-m_z	4.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24924	0.10929	0.75000	m_x,m_y,0	0.00000	-2.74000	0.00000
2	0.25076	0.60929	0.75000	m_x,-m_y,0	0.00000	2.74000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74924	0.39071	0.25000	m_x,m_y,0	0.00000	-2.74000	0.00000
2	0.75076	0.89071	0.25000	m_x,-m_y,0	0.00000	2.74000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75988	0.88487	0.75000	m_x,m_y,0	0.00000	-2.74000	0.00000
2	0.74012	0.38487	0.75000	m_x,-m_y,0	0.00000	2.74000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25988	0.61513	0.25000	m_x,m_y,0	0.00000	-2.74000	0.00000
2	0.24012	0.11513	0.25000	m_x,-m_y,0	0.00000	2.74000	0.00000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	9
mGM2+	1	1	primary	12

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

Fe₃BO₅ (#0.387)

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

Fe3BO5 (#0.387)

Fe₃BO₅ (#0.387)