MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
(0,0,1/2)' + set click here to show and hide
3	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
4	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	M_x,M_y,M_z	1.422	0.633	-2.295	1.72
Fe2	Fe	0.28100	0.71245	0.76489	4	M_x,M_y,M_z	0.645	0.244	-0.969	0.72
Fe3	Fe	0.38282	0.88591	0.53496	4	M_x,M_y,M_z	4.716	0.544	-5.02	3.73
Fe4	Fe	0.04426	0.47094	0.83918	4	M_x,M_y,M_z	5.456	0.356	-5.353	4.07

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.09646	0.16694	0.74865	4
P2	P	0.39880	0.62942	0.41649	4
P3	P	0.22848	0.23329	0.46126	4
O1	O	0.27530	0.75894	0.38224	4
O2	O	0.31200	0.08305	0.61364	4
O3	O	0.25398	0.53491	0.51478	4
O4	O	0.44944	0.71448	0.45835	4
O5	O	0.45746	0.22723	0.40673	4
O6	O	0.06650	0.34615	0.74179	4
O7	O	0.11990	0.07972	0.83457	4
O8	O	0.12016	0.83912	0.70598	4
O9	O	-0.01920	0.65754	0.41485	4
O10	O	0.36640	0.49267	0.69720	4
O11	O	0.22574	0.06031	0.48805	4
O12	O	0.21102	0.29457	0.87088	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.42200	0.63300	-2.29500
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.42200	-0.63300	2.29500

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	0.28100	0.71245	0.76489	m_x,m_y,m_z	0.64500	0.24400	-0.96900
2	0.71900	0.28755	0.23511	m_x,m_y,m_z	0.64500	0.24400	-0.96900
(0,0,1/2)' + set click here to show and hide
3	0.28100	0.71245	0.26489	-m_x,-m_y,-m_z	-0.64500	-0.24400	0.96900
4	0.71900	0.28755	0.73511	-m_x,-m_y,-m_z	-0.64500	-0.24400	0.96900

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	0.38282	0.88591	0.53496	m_x,m_y,m_z	4.71600	0.54400	-5.02000
2	0.61718	0.11409	0.46504	m_x,m_y,m_z	4.71600	0.54400	-5.02000
(0,0,1/2)' + set click here to show and hide
3	0.38282	0.88591	0.03496	-m_x,-m_y,-m_z	-4.71600	-0.54400	5.02000
4	0.61718	0.11409	0.96504	-m_x,-m_y,-m_z	-4.71600	-0.54400	5.02000

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	0.04426	0.47094	0.83918	m_x,m_y,m_z	5.45600	0.35600	-5.35300
2	0.95574	0.52906	0.16082	m_x,m_y,m_z	5.45600	0.35600	-5.35300
(0,0,1/2)' + set click here to show and hide
3	0.04426	0.47094	0.33918	-m_x,-m_y,-m_z	-5.45600	-0.35600	5.35300
4	0.95574	0.52906	0.66082	-m_x,-m_y,-m_z	-5.45600	-0.35600	5.35300

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.09646	0.16694	0.74865
2	0.90354	0.83306	0.25135
(0,0,1/2)' + set click here to show and hide
3	0.09646	0.16694	0.24865
4	0.90354	0.83306	0.75135

Set of atoms in the unit cell related by symmetry with the atom P2:

Atom	x	y	z
1	0.39880	0.62942	0.41649
2	0.60120	0.37058	0.58351
(0,0,1/2)' + set click here to show and hide
3	0.39880	0.62942	0.91649
4	0.60120	0.37058	0.08351

Set of atoms in the unit cell related by symmetry with the atom P3:

Atom	x	y	z
1	0.22848	0.23329	0.46126
2	0.77152	0.76671	0.53874
(0,0,1/2)' + set click here to show and hide
3	0.22848	0.23329	0.96126
4	0.77152	0.76671	0.03874

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

Atom	x	y	z
1	0.27530	0.75894	0.38224
2	0.72470	0.24106	0.61776
(0,0,1/2)' + set click here to show and hide
3	0.27530	0.75894	0.88224
4	0.72470	0.24106	0.11776

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

Atom	x	y	z
1	0.31200	0.08305	0.61364
2	0.68800	0.91695	0.38636
(0,0,1/2)' + set click here to show and hide
3	0.31200	0.08305	0.11364
4	0.68800	0.91695	0.88636

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

Atom	x	y	z
1	0.25398	0.53491	0.51478
2	0.74602	0.46509	0.48522
(0,0,1/2)' + set click here to show and hide
3	0.25398	0.53491	0.01478
4	0.74602	0.46509	0.98522

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

Atom	x	y	z
1	0.44944	0.71448	0.45835
2	0.55056	0.28552	0.54165
(0,0,1/2)' + set click here to show and hide
3	0.44944	0.71448	0.95835
4	0.55056	0.28552	0.04165

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

Atom	x	y	z
1	0.45746	0.22723	0.40673
2	0.54254	0.77277	0.59327
(0,0,1/2)' + set click here to show and hide
3	0.45746	0.22723	0.90673
4	0.54254	0.77277	0.09327

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

Atom	x	y	z
1	0.06650	0.34615	0.74179
2	0.93350	0.65385	0.25821
(0,0,1/2)' + set click here to show and hide
3	0.06650	0.34615	0.24179
4	0.93350	0.65385	0.75821

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

Atom	x	y	z
1	0.11990	0.07972	0.83457
2	0.88010	0.92028	0.16543
(0,0,1/2)' + set click here to show and hide
3	0.11990	0.07972	0.33457
4	0.88010	0.92028	0.66543

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

Atom	x	y	z
1	0.12016	0.83912	0.70598
2	0.87984	0.16088	0.29402
(0,0,1/2)' + set click here to show and hide
3	0.12016	0.83912	0.20598
4	0.87984	0.16088	0.79402

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

Atom	x	y	z
1	0.98080	0.65754	0.41485
2	0.01920	0.34246	0.58515
(0,0,1/2)' + set click here to show and hide
3	0.98080	0.65754	0.91485
4	0.01920	0.34246	0.08515

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

Atom	x	y	z
1	0.36640	0.49267	0.69720
2	0.63360	0.50733	0.30280
(0,0,1/2)' + set click here to show and hide
3	0.36640	0.49267	0.19720
4	0.63360	0.50733	0.80280

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

Atom	x	y	z
1	0.22574	0.06031	0.48805
2	0.77426	0.93969	0.51195
(0,0,1/2)' + set click here to show and hide
3	0.22574	0.06031	0.98805
4	0.77426	0.93969	0.01195

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

Atom	x	y	z
1	0.21102	0.29457	0.87088
2	0.78898	0.70543	0.12912
(0,0,1/2)' + set click here to show and hide
3	0.21102	0.29457	0.37088
4	0.78898	0.70543	0.62912

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	M_x,M_y,M_z	1.422	0.633	-2.295	1.72
Fe2	Fe	0.28100	0.71245	0.76489	4	M_x,M_y,M_z	0.645	0.244	-0.969	0.72
Fe3	Fe	0.38282	0.88591	0.53496	4	M_x,M_y,M_z	4.716	0.544	-5.02	3.73
Fe4	Fe	0.04426	0.47094	0.83918	4	M_x,M_y,M_z	5.456	0.356	-5.353	4.07

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

label	dim. small irrep	dim. full irrep	action	number of modes
mU1+	1	1	primary	12

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

Fe₇(PO₄)₆ (#1.878)

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

Fe7(PO4)6 (#1.878)

Fe₇(PO₄)₆ (#1.878)