MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
4	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,y,z,+1	m₁₀₀
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1	Mn	0.46850	0.86660	0.25000	4	0,0,m_z	4.43	4.43
Mn2	Mn	0.07450	0.87490	0.25000	4	0,0,m_z	-4.21	4.21
Mn3	Mn	0.24610	0.05050	0.00250	8	m_x,m_y,m_z	-4.57	4.57

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
K1	K	0.23690	0.28320	0.25000	4
P1	P	0.02440	0.43820	0.25000	4
P2	P	0.44800	0.44760	0.25000	4
P3	P	0.29640	0.72260	0.25000	4
O1	O	0.11630	0.52010	0.25000	4
O2	O	0.37530	0.02650	0.25000	4
O3	O	0.05050	0.38931	0.06100	8
O4	O	0.10590	0.05210	0.25000	4
O5	O	0.40200	0.53900	0.25000	4
O6	O	0.39330	0.40765	0.05770	8
O7	O	0.25370	0.81490	0.25000	4
O8	O	0.24470	0.67680	0.05870	8
O9	O	0.44820	0.72780	0.25000	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.46850	0.86660	0.25000	0,0,m_z	4.43000
2	0.03150	0.36660	0.75000	0,0,-m_z	-4.43000
3	0.96850	0.63340	0.25000	0,0,m_z	4.43000
4	0.53150	0.13340	0.75000	0,0,-m_z	-4.43000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.07450	0.87490	0.25000	0,0,m_z	-4.21000
2	0.42550	0.37490	0.75000	0,0,-m_z	4.21000
3	0.57450	0.62510	0.25000	0,0,m_z	-4.21000
4	0.92550	0.12510	0.75000	0,0,-m_z	4.21000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn3:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.24610	0.05050	0.00250	m_x,m_y,m_z	-4.57000
2	0.25390	0.55050	0.99750	-m_x,m_y,-m_z	4.57000
3	0.25390	0.55050	0.50250	m_x,-m_y,-m_z	4.57000
4	0.24610	0.05050	0.49750	-m_x,-m_y,m_z	-4.57000
5	0.74610	0.44950	0.49750	-m_x,m_y,m_z	-4.57000
6	0.75390	0.94950	0.50250	m_x,m_y,-m_z	4.57000
7	0.75390	0.94950	0.99750	-m_x,-m_y,-m_z	4.57000
8	0.74610	0.44950	0.00250	m_x,-m_y,m_z	-4.57000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom K1:

Atom	x	y	z
1	0.23690	0.28320	0.25000
2	0.26310	0.78320	0.75000
3	0.73690	0.21680	0.25000
4	0.76310	0.71680	0.75000

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

Atom	x	y	z
1	0.02440	0.43820	0.25000
2	0.47560	0.93820	0.75000
3	0.52440	0.06180	0.25000
4	0.97560	0.56180	0.75000

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

Atom	x	y	z
1	0.44800	0.44760	0.25000
2	0.05200	0.94760	0.75000
3	0.94800	0.05240	0.25000
4	0.55200	0.55240	0.75000

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

Atom	x	y	z
1	0.29640	0.72260	0.25000
2	0.20360	0.22260	0.75000
3	0.79640	0.77740	0.25000
4	0.70360	0.27740	0.75000

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

Atom	x	y	z
1	0.11630	0.52010	0.25000
2	0.38370	0.02010	0.75000
3	0.61630	0.97990	0.25000
4	0.88370	0.47990	0.75000

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

Atom	x	y	z
1	0.37530	0.02650	0.25000
2	0.12470	0.52650	0.75000
3	0.87530	0.47350	0.25000
4	0.62470	0.97350	0.75000

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

Atom	x	y	z
1	0.05050	0.38931	0.06100
2	0.44950	0.88931	0.93900
3	0.44950	0.88931	0.56100
4	0.05050	0.38931	0.43900
5	0.55050	0.11069	0.43900
6	0.94950	0.61069	0.56100
7	0.94950	0.61069	0.93900
8	0.55050	0.11069	0.06100

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

Atom	x	y	z
1	0.10590	0.05210	0.25000
2	0.39410	0.55210	0.75000
3	0.60590	0.44790	0.25000
4	0.89410	0.94790	0.75000

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

Atom	x	y	z
1	0.40200	0.53900	0.25000
2	0.09800	0.03900	0.75000
3	0.90200	0.96100	0.25000
4	0.59800	0.46100	0.75000

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

Atom	x	y	z
1	0.39330	0.40765	0.05770
2	0.10670	0.90765	0.94230
3	0.10670	0.90765	0.55770
4	0.39330	0.40765	0.44230
5	0.89330	0.09235	0.44230
6	0.60670	0.59235	0.55770
7	0.60670	0.59235	0.94230
8	0.89330	0.09235	0.05770

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

Atom	x	y	z
1	0.25370	0.81490	0.25000
2	0.24630	0.31490	0.75000
3	0.75370	0.68510	0.25000
4	0.74630	0.18510	0.75000

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

Atom	x	y	z
1	0.24470	0.67680	0.05870
2	0.25530	0.17680	0.94130
3	0.25530	0.17680	0.55870
4	0.24470	0.67680	0.44130
5	0.74470	0.82320	0.44130
6	0.75530	0.32320	0.55870
7	0.75530	0.32320	0.94130
8	0.74470	0.82320	0.05870

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

Atom	x	y	z
1	0.44820	0.72780	0.25000
2	0.05180	0.22780	0.75000
3	0.94820	0.77220	0.25000
4	0.55180	0.27220	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Mn1	Mn	0.46850	0.86660	0.25000	4	0,0,m_z	4.43	4.43
Mn2	Mn	0.07450	0.87490	0.25000	4	0,0,m_z	-4.21	4.21
Mn3	Mn	0.24610	0.05050	0.00250	8	m_x,m_y,m_z	-4.57	4.57

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

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

KMn₄(PO₄)₃ (#0.86)

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

KMn4(PO4)3 (#0.86)

KMn₄(PO₄)₃ (#0.86)