MAGNDATA - Collection of Magnetic Structures

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

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_1	Fe	0.62780	0.34220	0.58860	4	m_x,m_y,m_z	0.0	2.09(7)	-3.05(8)	3.70
Fe1_2	Fe	0.12220	0.84220	0.91140	4	m_x,m_y,m_z	0.0	2.09	-3.05	3.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1_1	P	0.62950	0.66700	0.54600	4
P1_2	P	0.12050	0.16700	0.95400	4
O1_1	O	0.78060	0.84820	0.91660	4
O1_2	O	0.96940	0.34820	0.58340	4
O2_1	O	0.71650	0.67900	0.42000	4
O2_2	O	0.03350	0.17900	0.08000	4
O3_1	O	0.61350	0.78010	0.65880	4
O3_2	O	0.13650	0.28010	0.84120	4
O4_1	O	0.63250	0.53310	0.65880	4
O4_2	O	0.11750	0.03310	0.84120	4
N1_1	N	0.61465	0.14100	0.48680	4
N1_2	N	0.13535	0.64100	0.01320	4
D1_1	D	0.92100	0.37500	0.89970	4
D1_2	D	0.82900	0.87500	0.60030	4
D2_1	D	0.54900	0.13110	0.41680	4
D2_2	D	0.20100	0.63110	0.08320	4
D3_1	D	0.61800	0.07180	0.59300	4
D3_2	D	0.13200	0.57180	0.90700	4
N2_1	N	0.61750	0.39390	0.31770	4
N2_2	N	0.13250	0.89390	0.18230	4
D4_1	D	0.68100	0.97610	0.20100	4
D4_2	D	0.06900	0.47610	0.29900	4
D5_1	D	0.80850	0.56620	0.72060	4
D5_2	D	0.94150	0.06620	0.77940	4
D6_1	D	0.65750	0.82060	0.27100	4
D6_2	D	0.09250	0.32060	0.22900	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62780	0.34220	0.58860	m_x,m_y,m_z	0.00000	2.09000	-3.05000
2	0.87220	0.65780	0.41140	m_x,m_y,m_z	0.00000	2.09000	-3.05000
(1/2,0,0)' + set click here to show and hide
3	0.12780	0.34220	0.58860	-m_x,-m_y,-m_z	0.00000	-2.09000	3.05000
4	0.37220	0.65780	0.41140	-m_x,-m_y,-m_z	0.00000	-2.09000	3.05000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12220	0.84220	0.91140	m_x,m_y,m_z	0.00000	2.09000	-3.05000
2	0.37780	0.15780	0.08860	m_x,m_y,m_z	0.00000	2.09000	-3.05000
(1/2,0,0)' + set click here to show and hide
3	0.62220	0.84220	0.91140	-m_x,-m_y,-m_z	0.00000	-2.09000	3.05000
4	0.87780	0.15780	0.08860	-m_x,-m_y,-m_z	0.00000	-2.09000	3.05000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.62950	0.66700	0.54600
2	0.87050	0.33300	0.45400
(1/2,0,0)' + set click here to show and hide
3	0.12950	0.66700	0.54600
4	0.37050	0.33300	0.45400

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

Atom	x	y	z
1	0.12050	0.16700	0.95400
2	0.37950	0.83300	0.04600
(1/2,0,0)' + set click here to show and hide
3	0.62050	0.16700	0.95400
4	0.87950	0.83300	0.04600

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

Atom	x	y	z
1	0.78060	0.84820	0.91660
2	0.71940	0.15180	0.08340
(1/2,0,0)' + set click here to show and hide
3	0.28060	0.84820	0.91660
4	0.21940	0.15180	0.08340

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

Atom	x	y	z
1	0.96940	0.34820	0.58340
2	0.53060	0.65180	0.41660
(1/2,0,0)' + set click here to show and hide
3	0.46940	0.34820	0.58340
4	0.03060	0.65180	0.41660

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

Atom	x	y	z
1	0.71650	0.67900	0.42000
2	0.78350	0.32100	0.58000
(1/2,0,0)' + set click here to show and hide
3	0.21650	0.67900	0.42000
4	0.28350	0.32100	0.58000

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

Atom	x	y	z
1	0.03350	0.17900	0.08000
2	0.46650	0.82100	0.92000
(1/2,0,0)' + set click here to show and hide
3	0.53350	0.17900	0.08000
4	0.96650	0.82100	0.92000

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

Atom	x	y	z
1	0.61350	0.78010	0.65880
2	0.88650	0.21990	0.34120
(1/2,0,0)' + set click here to show and hide
3	0.11350	0.78010	0.65880
4	0.38650	0.21990	0.34120

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

Atom	x	y	z
1	0.13650	0.28010	0.84120
2	0.36350	0.71990	0.15880
(1/2,0,0)' + set click here to show and hide
3	0.63650	0.28010	0.84120
4	0.86350	0.71990	0.15880

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

Atom	x	y	z
1	0.63250	0.53310	0.65880
2	0.86750	0.46690	0.34120
(1/2,0,0)' + set click here to show and hide
3	0.13250	0.53310	0.65880
4	0.36750	0.46690	0.34120

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

Atom	x	y	z
1	0.11750	0.03310	0.84120
2	0.38250	0.96690	0.15880
(1/2,0,0)' + set click here to show and hide
3	0.61750	0.03310	0.84120
4	0.88250	0.96690	0.15880

Set of atoms in the unit cell related by symmetry with the atom N1_1:

Atom	x	y	z
1	0.61465	0.14100	0.48680
2	0.88535	0.85900	0.51320
(1/2,0,0)' + set click here to show and hide
3	0.11465	0.14100	0.48680
4	0.38535	0.85900	0.51320

Set of atoms in the unit cell related by symmetry with the atom N1_2:

Atom	x	y	z
1	0.13535	0.64100	0.01320
2	0.36465	0.35900	0.98680
(1/2,0,0)' + set click here to show and hide
3	0.63535	0.64100	0.01320
4	0.86465	0.35900	0.98680

Set of atoms in the unit cell related by symmetry with the atom D1_1:

Atom	x	y	z
1	0.92100	0.37500	0.89970
2	0.57900	0.62500	0.10030
(1/2,0,0)' + set click here to show and hide
3	0.42100	0.37500	0.89970
4	0.07900	0.62500	0.10030

Set of atoms in the unit cell related by symmetry with the atom D1_2:

Atom	x	y	z
1	0.82900	0.87500	0.60030
2	0.67100	0.12500	0.39970
(1/2,0,0)' + set click here to show and hide
3	0.32900	0.87500	0.60030
4	0.17100	0.12500	0.39970

Set of atoms in the unit cell related by symmetry with the atom D2_1:

Atom	x	y	z
1	0.54900	0.13110	0.41680
2	0.95100	0.86890	0.58320
(1/2,0,0)' + set click here to show and hide
3	0.04900	0.13110	0.41680
4	0.45100	0.86890	0.58320

Set of atoms in the unit cell related by symmetry with the atom D2_2:

Atom	x	y	z
1	0.20100	0.63110	0.08320
2	0.29900	0.36890	0.91680
(1/2,0,0)' + set click here to show and hide
3	0.70100	0.63110	0.08320
4	0.79900	0.36890	0.91680

Set of atoms in the unit cell related by symmetry with the atom D3_1:

Atom	x	y	z
1	0.61800	0.07180	0.59300
2	0.88200	0.92820	0.40700
(1/2,0,0)' + set click here to show and hide
3	0.11800	0.07180	0.59300
4	0.38200	0.92820	0.40700

Set of atoms in the unit cell related by symmetry with the atom D3_2:

Atom	x	y	z
1	0.13200	0.57180	0.90700
2	0.36800	0.42820	0.09300
(1/2,0,0)' + set click here to show and hide
3	0.63200	0.57180	0.90700
4	0.86800	0.42820	0.09300

Set of atoms in the unit cell related by symmetry with the atom N2_1:

Atom	x	y	z
1	0.61750	0.39390	0.31770
2	0.88250	0.60610	0.68230
(1/2,0,0)' + set click here to show and hide
3	0.11750	0.39390	0.31770
4	0.38250	0.60610	0.68230

Set of atoms in the unit cell related by symmetry with the atom N2_2:

Atom	x	y	z
1	0.13250	0.89390	0.18230
2	0.36750	0.10610	0.81770
(1/2,0,0)' + set click here to show and hide
3	0.63250	0.89390	0.18230
4	0.86750	0.10610	0.81770

Set of atoms in the unit cell related by symmetry with the atom D4_1:

Atom	x	y	z
1	0.68100	0.97610	0.20100
2	0.81900	0.02390	0.79900
(1/2,0,0)' + set click here to show and hide
3	0.18100	0.97610	0.20100
4	0.31900	0.02390	0.79900

Set of atoms in the unit cell related by symmetry with the atom D4_2:

Atom	x	y	z
1	0.06900	0.47610	0.29900
2	0.43100	0.52390	0.70100
(1/2,0,0)' + set click here to show and hide
3	0.56900	0.47610	0.29900
4	0.93100	0.52390	0.70100

Set of atoms in the unit cell related by symmetry with the atom D5_1:

Atom	x	y	z
1	0.80850	0.56620	0.72060
2	0.69150	0.43380	0.27940
(1/2,0,0)' + set click here to show and hide
3	0.30850	0.56620	0.72060
4	0.19150	0.43380	0.27940

Set of atoms in the unit cell related by symmetry with the atom D5_2:

Atom	x	y	z
1	0.94150	0.06620	0.77940
2	0.55850	0.93380	0.22060
(1/2,0,0)' + set click here to show and hide
3	0.44150	0.06620	0.77940
4	0.05850	0.93380	0.22060

Set of atoms in the unit cell related by symmetry with the atom D6_1:

Atom	x	y	z
1	0.65750	0.82060	0.27100
2	0.84250	0.17940	0.72900
(1/2,0,0)' + set click here to show and hide
3	0.15750	0.82060	0.27100
4	0.34250	0.17940	0.72900

Set of atoms in the unit cell related by symmetry with the atom D6_2:

Atom	x	y	z
1	0.09250	0.32060	0.22900
2	0.40750	0.67940	0.77100
(1/2,0,0)' + set click here to show and hide
3	0.59250	0.32060	0.22900
4	0.90750	0.67940	0.77100

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.62780	0.34220	0.58860	4	m_x,m_y,m_z	0.0	2.09(7)	-3.05(8)	3.70
Fe1_2	Fe	0.12220	0.84220	0.91140	4	m_x,m_y,m_z	0.0	2.09	-3.05	3.70

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

label	dim. full irrep	dim. small irrep	direction	action
mB1	2	2	special	primary

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

Fe(ND₃)₂PO₄ (#1.66)

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

Fe(ND3)2PO4 (#1.66)

Fe(ND₃)₂PO₄ (#1.66)