MAGNDATA - Collection of Magnetic Structures

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

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

Magnetic atoms:

Label	Atom type	y	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.333350	0.866000	2	m_x,m_y,m_z	0.94(3)	0.0	-0.26(4)	1.05
Ni1_2	Ni	0.666650	0.866000	2	m_x,m_y,m_z	-0.94(3)	0.0	0.26(4)	1.05
Ni2	Ni	0.000000	0.236000	2	m_x,m_y,m_z	1.0(5)	0.5(6)	0.0(9)	1.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
P1_1	P	0.058800	0.000000	0.170000	0.754000	2
P1_2	P	0.441200	0.500000	0.830000	0.754000	2
P2_1	P	0.058800	0.333500	0.170000	0.115000	2
P2_2	P	0.441200	0.166500	0.830000	0.115000	2
P2_3	P	0.058800	0.666500	0.170000	0.115000	2
P2_4	P	0.441200	0.833500	0.830000	0.115000	2
S1_1	S	0.242700	0.500000	0.244200	1.000000	2
S1_2	S	0.257300	0.000000	0.755800	1.000000	2
S2_1	S	0.249200	0.330700	0.756700	1.000000	2
S2_2	S	0.250800	0.169300	0.243300	1.000000	2
S2_3	S	0.249200	0.669300	0.756700	1.000000	2
S2_4	S	0.250800	0.830700	0.243300	1.000000	2

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 Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33335	0.00000	m_x,m_y,m_z	0.94000	0.00000	-0.26000
(1/2,1/2,0)' + set click here to show and hide
2	0.50000	0.83335	0.00000	-m_x,-m_y,-m_z	-0.94000	0.00000	0.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66665	0.00000	m_x,m_y,m_z	-0.94000	0.00000	0.26000
(1/2,1/2,0)' + set click here to show and hide
2	0.50000	0.16665	0.00000	-m_x,-m_y,-m_z	0.94000	0.00000	-0.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

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	1.00000	0.50000	0.00000
(1/2,1/2,0)' + set click here to show and hide
2	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-1.00000	-0.50000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1_1:

Atom	x	y	z
1	0.05880	0.00000	0.17000
(1/2,1/2,0)' + set click here to show and hide
2	0.55880	0.50000	0.17000

Set of atoms in the unit cell related by symmetry with the atom P1_2:

Atom	x	y	z
1	0.44120	0.50000	0.83000
(1/2,1/2,0)' + set click here to show and hide
2	0.94120	0.00000	0.83000

Set of atoms in the unit cell related by symmetry with the atom P2_1:

Atom	x	y	z
1	0.05880	0.33350	0.17000
(1/2,1/2,0)' + set click here to show and hide
2	0.55880	0.83350	0.17000

Set of atoms in the unit cell related by symmetry with the atom P2_2:

Atom	x	y	z
1	0.44120	0.16650	0.83000
(1/2,1/2,0)' + set click here to show and hide
2	0.94120	0.66650	0.83000

Set of atoms in the unit cell related by symmetry with the atom P2_3:

Atom	x	y	z
1	0.05880	0.66650	0.17000
(1/2,1/2,0)' + set click here to show and hide
2	0.55880	0.16650	0.17000

Set of atoms in the unit cell related by symmetry with the atom P2_4:

Atom	x	y	z
1	0.44120	0.83350	0.83000
(1/2,1/2,0)' + set click here to show and hide
2	0.94120	0.33350	0.83000

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.24270	0.50000	0.24420
(1/2,1/2,0)' + set click here to show and hide
2	0.74270	0.00000	0.24420

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.25730	0.00000	0.75580
(1/2,1/2,0)' + set click here to show and hide
2	0.75730	0.50000	0.75580

Set of atoms in the unit cell related by symmetry with the atom S2_1:

Atom	x	y	z
1	0.24920	0.33070	0.75670
(1/2,1/2,0)' + set click here to show and hide
2	0.74920	0.83070	0.75670

Set of atoms in the unit cell related by symmetry with the atom S2_2:

Atom	x	y	z
1	0.25080	0.16930	0.24330
(1/2,1/2,0)' + set click here to show and hide
2	0.75080	0.66930	0.24330

Set of atoms in the unit cell related by symmetry with the atom S2_3:

Atom	x	y	z
1	0.24920	0.66930	0.75670
(1/2,1/2,0)' + set click here to show and hide
2	0.74920	0.16930	0.75670

Set of atoms in the unit cell related by symmetry with the atom S2_4:

Atom	x	y	z
1	0.25080	0.83070	0.24330
(1/2,1/2,0)' + set click here to show and hide
2	0.75080	0.33070	0.24330

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Label	Atom type	y	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.333350	0.866000	2	m_x,m_y,m_z	0.94(3)	0.0	-0.26(4)	1.05
Ni1_2	Ni	0.666650	0.866000	2	m_x,m_y,m_z	-0.94(3)	0.0	0.26(4)	1.05
Ni2	Ni	0.000000	0.236000	2	m_x,m_y,m_z	1.0(5)	0.5(6)	0.0(9)	1.12

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