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	{ m₀₁₀ \| 1/2 0 0 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,-y,z,-1	2'₀₀₁
4	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.74400	0.24900	0.73000	4	m_x,m_y,m_z	3.51(5)	0.0	0.6(2)	3.56
Ni2	Ni	0.98800	0.47500	0.50100	4	m_x,m_y,m_z	0.0	1.31(7)	0.2(1)	1.33
Ni3	Ni	0.98500	0.02400	0.50200	4	m_x,m_y,m_z	0.0	-1.31(7)	-0.5(1)	1.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Br1	Br	0.77300	0.25000	0.51176	4
B1	B	0.49400	0.48300	0.74500	4
B2	B	0.25300	0.25200	0.49700	4
B3	B	0.99400	0.99500	0.74500	4
B4	B	0.04600	0.26400	0.85100	4
B5	B	0.75300	0.59300	0.67200	4
B6	B	0.39600	0.25100	0.83100	4
B7	B	0.75800	0.90900	0.67200	4
O1	O	0.75300	0.75100	0.73900	4
O2	O	0.95600	0.32500	0.78500	4
O3	O	0.88300	0.67300	0.44100	4
O4	O	0.53100	0.17300	0.78000	4
O5	O	0.68200	0.64000	0.58000	4
O6	O	0.83400	0.02700	0.73700	4
O7	O	0.13900	0.17800	0.43800	4
O8	O	0.65900	0.47400	0.73300	4
O9	O	0.82100	0.87700	0.57500	4
O10	O	0.43400	0.41300	0.84900	4
O11	O	0.04700	0.07900	0.85400	4
O12	O	0.91400	0.55700	0.65700	4
O13	O	0.57200	0.94200	0.65600	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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.74400	0.24900	0.73000	m_x,m_y,m_z	3.51000	0.60000
2	0.24400	0.75100	0.73000	-m_x,m_y,-m_z	-3.51000	-0.60000
3	0.25600	0.75100	0.23000	m_x,m_y,-m_z	3.51000	-0.60000
4	0.75600	0.24900	0.23000	-m_x,m_y,m_z	-3.51000	0.60000

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

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.98800	0.47500	0.50100	m_x,m_y,m_z	1.31000	0.20000
2	0.48800	0.52500	0.50100	-m_x,m_y,-m_z	1.31000	-0.20000
3	0.01200	0.52500	0.00100	m_x,m_y,-m_z	1.31000	-0.20000
4	0.51200	0.47500	0.00100	-m_x,m_y,m_z	1.31000	0.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni3:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.98500	0.02400	0.50200	m_x,m_y,m_z	-1.31000	-0.50000
2	0.48500	0.97600	0.50200	-m_x,m_y,-m_z	-1.31000	0.50000
3	0.01500	0.97600	0.00200	m_x,m_y,-m_z	-1.31000	0.50000
4	0.51500	0.02400	0.00200	-m_x,m_y,m_z	-1.31000	-0.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Br1:

Atom	x	y	z
1	0.77300	0.25000	0.51176
2	0.27300	0.75000	0.51176
3	0.22700	0.75000	0.01176
4	0.72700	0.25000	0.01176

Set of atoms in the unit cell related by symmetry with the atom B1:

Atom	x	y	z
1	0.49400	0.48300	0.74500
2	0.99400	0.51700	0.74500
3	0.50600	0.51700	0.24500
4	0.00600	0.48300	0.24500

Set of atoms in the unit cell related by symmetry with the atom B2:

Atom	x	y	z
1	0.25300	0.25200	0.49700
2	0.75300	0.74800	0.49700
3	0.74700	0.74800	0.99700
4	0.24700	0.25200	0.99700

Set of atoms in the unit cell related by symmetry with the atom B3:

Atom	x	y	z
1	0.99400	0.99500	0.74500
2	0.49400	0.00500	0.74500
3	0.00600	0.00500	0.24500
4	0.50600	0.99500	0.24500

Set of atoms in the unit cell related by symmetry with the atom B4:

Atom	x	y	z
1	0.04600	0.26400	0.85100
2	0.54600	0.73600	0.85100
3	0.95400	0.73600	0.35100
4	0.45400	0.26400	0.35100

Set of atoms in the unit cell related by symmetry with the atom B5:

Atom	x	y	z
1	0.75300	0.59300	0.67200
2	0.25300	0.40700	0.67200
3	0.24700	0.40700	0.17200
4	0.74700	0.59300	0.17200

Set of atoms in the unit cell related by symmetry with the atom B6:

Atom	x	y	z
1	0.39600	0.25100	0.83100
2	0.89600	0.74900	0.83100
3	0.60400	0.74900	0.33100
4	0.10400	0.25100	0.33100

Set of atoms in the unit cell related by symmetry with the atom B7:

Atom	x	y	z
1	0.75800	0.90900	0.67200
2	0.25800	0.09100	0.67200
3	0.24200	0.09100	0.17200
4	0.74200	0.90900	0.17200

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

Atom	x	y	z
1	0.75300	0.75100	0.73900
2	0.25300	0.24900	0.73900
3	0.24700	0.24900	0.23900
4	0.74700	0.75100	0.23900

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

Atom	x	y	z
1	0.95600	0.32500	0.78500
2	0.45600	0.67500	0.78500
3	0.04400	0.67500	0.28500
4	0.54400	0.32500	0.28500

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

Atom	x	y	z
1	0.88300	0.67300	0.44100
2	0.38300	0.32700	0.44100
3	0.11700	0.32700	0.94100
4	0.61700	0.67300	0.94100

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

Atom	x	y	z
1	0.53100	0.17300	0.78000
2	0.03100	0.82700	0.78000
3	0.46900	0.82700	0.28000
4	0.96900	0.17300	0.28000

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

Atom	x	y	z
1	0.68200	0.64000	0.58000
2	0.18200	0.36000	0.58000
3	0.31800	0.36000	0.08000
4	0.81800	0.64000	0.08000

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

Atom	x	y	z
1	0.83400	0.02700	0.73700
2	0.33400	0.97300	0.73700
3	0.16600	0.97300	0.23700
4	0.66600	0.02700	0.23700

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

Atom	x	y	z
1	0.13900	0.17800	0.43800
2	0.63900	0.82200	0.43800
3	0.86100	0.82200	0.93800
4	0.36100	0.17800	0.93800

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

Atom	x	y	z
1	0.65900	0.47400	0.73300
2	0.15900	0.52600	0.73300
3	0.34100	0.52600	0.23300
4	0.84100	0.47400	0.23300

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

Atom	x	y	z
1	0.82100	0.87700	0.57500
2	0.32100	0.12300	0.57500
3	0.17900	0.12300	0.07500
4	0.67900	0.87700	0.07500

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

Atom	x	y	z
1	0.43400	0.41300	0.84900
2	0.93400	0.58700	0.84900
3	0.56600	0.58700	0.34900
4	0.06600	0.41300	0.34900

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

Atom	x	y	z
1	0.04700	0.07900	0.85400
2	0.54700	0.92100	0.85400
3	0.95300	0.92100	0.35400
4	0.45300	0.07900	0.35400

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

Atom	x	y	z
1	0.91400	0.55700	0.65700
2	0.41400	0.44300	0.65700
3	0.08600	0.44300	0.15700
4	0.58600	0.55700	0.15700

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.57200	0.94200	0.65600
2	0.07200	0.05800	0.65600
3	0.42800	0.05800	0.15600
4	0.92800	0.94200	0.15600

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.74400	0.24900	0.73000	4	m_x,m_y,m_z	3.51(5)	0.0	0.6(2)	3.56
Ni2	Ni	0.98800	0.47500	0.50100	4	m_x,m_y,m_z	0.0	1.31(7)	0.2(1)	1.33
Ni3	Ni	0.98500	0.02400	0.50200	4	m_x,m_y,m_z	0.0	-1.31(7)	-0.5(1)	1.40

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

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

Ni₃B₇O₁₃Br (#0.135)

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

Ni3B7O13Br (#0.135)

Ni₃B₇O₁₃Br (#0.135)