MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

a	b	c
0	0	1	a_p
0	1	0	b_p
-1	0	0	c_p

origin shift
0	a_p
0	b_p
0	c_p

[Hide]

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

[Hide]

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,-y,-z,-1	{ -1' \| 0 }
4	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

[Hide]

Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

a_s	b_s	c_s
0	0	1	a
0	1	0	b
-1	0	0	c

origin shift
0	a
0	b
0	c

[Hide]

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,-1	-1'
4	x,-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.25580	0.49890	0.06230	4	m_x,m_y,m_z	0.0	0.68(1)	0.0	0.68

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pb1	Pb	0.48092	0.19226	0.35765	4
Pb2	Pb	0.89553	0.14650	0.71406	4
P1	P	0.26820	0.54820	0.42760	4
P2	P	0.00520	0.24940	0.03370	4
O1	O	0.92480	0.14860	0.12640	4
O2	O	0.33810	0.59000	0.30300	4
O3	O	0.25410	0.38130	0.44300	4
O4	O	0.10180	0.61580	0.40570	4
O5	O	0.11280	0.34870	0.12630	4
O6	O	0.89110	0.33690	0.92790	4
O7	O	0.08250	0.14850	0.93750	4
O8	O	0.37300	0.59990	0.55700	4
O9	O	0.22050	0.46480	0.90460	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 V1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.25580	0.49890	0.06230	m_x,m_y,m_z	0.68000
2	0.24420	0.99890	0.93770	-m_x,m_y,-m_z	0.68000
3	0.74420	0.50110	0.93770	-m_x,-m_y,-m_z	-0.68000
4	0.75580	0.00110	0.06230	m_x,-m_y,m_z	-0.68000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pb1:

Atom	x	y	z
1	0.48092	0.19226	0.35765
2	0.01908	0.69226	0.64235
3	0.51908	0.80774	0.64235
4	0.98092	0.30774	0.35765

Set of atoms in the unit cell related by symmetry with the atom Pb2:

Atom	x	y	z
1	0.89553	0.14650	0.71406
2	0.60447	0.64650	0.28594
3	0.10447	0.85350	0.28594
4	0.39553	0.35350	0.71406

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

Atom	x	y	z
1	0.26820	0.54820	0.42760
2	0.23180	0.04820	0.57240
3	0.73180	0.45180	0.57240
4	0.76820	0.95180	0.42760

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

Atom	x	y	z
1	0.00520	0.24940	0.03370
2	0.49480	0.74940	0.96630
3	0.99480	0.75060	0.96630
4	0.50520	0.25060	0.03370

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

Atom	x	y	z
1	0.92480	0.14860	0.12640
2	0.57520	0.64860	0.87360
3	0.07520	0.85140	0.87360
4	0.42480	0.35140	0.12640

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

Atom	x	y	z
1	0.33810	0.59000	0.30300
2	0.16190	0.09000	0.69700
3	0.66190	0.41000	0.69700
4	0.83810	0.91000	0.30300

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

Atom	x	y	z
1	0.25410	0.38130	0.44300
2	0.24590	0.88130	0.55700
3	0.74590	0.61870	0.55700
4	0.75410	0.11870	0.44300

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

Atom	x	y	z
1	0.10180	0.61580	0.40570
2	0.39820	0.11580	0.59430
3	0.89820	0.38420	0.59430
4	0.60180	0.88420	0.40570

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

Atom	x	y	z
1	0.11280	0.34870	0.12630
2	0.38720	0.84870	0.87370
3	0.88720	0.65130	0.87370
4	0.61280	0.15130	0.12630

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

Atom	x	y	z
1	0.89110	0.33690	0.92790
2	0.60890	0.83690	0.07210
3	0.10890	0.66310	0.07210
4	0.39110	0.16310	0.92790

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

Atom	x	y	z
1	0.08250	0.14850	0.93750
2	0.41750	0.64850	0.06250
3	0.91750	0.85150	0.06250
4	0.58250	0.35150	0.93750

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

Atom	x	y	z
1	0.37300	0.59990	0.55700
2	0.12700	0.09990	0.44300
3	0.62700	0.40010	0.44300
4	0.87300	0.90010	0.55700

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

Atom	x	y	z
1	0.22050	0.46480	0.90460
2	0.27950	0.96480	0.09540
3	0.77950	0.53520	0.09540
4	0.72050	0.03520	0.90460

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.25580	0.49890	0.06230	4	m_x,m_y,m_z	0.0	0.68(1)	0.0	0.68

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	3

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

Pb₂VO(PO₄)₂ (#0.505)

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

Pb2VO(PO4)2 (#0.505)

Pb₂VO(PO₄)₂ (#0.505)