MAGNDATA - Collection of Magnetic Structures

Atomic positions from: ICSD #86430

Parent space group (paramagnetic phase): I-4c2 (#120)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 54 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
12.43530 12.43530 12.86120 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
[View matrix form]

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]

BNS Magnetic Space Group: I-4' (#82.41) (standard setting)
[View symmetry operations]

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,-y,z,+1	{ 2₀₀₁ \| 0 }
3	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
4	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
7	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
8	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }

[Hide]

Transformation to a standard setting: (a,b,c;0,0,0)
[View matrix form]

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
1	0	0	a
0	1	0	b
0	0	1	c

origin shift
0	a
0	b
0	c

[Hide]

Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -4' (10.3.34)
[View symmetry operations]

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	2₀₀₁
3	y,-x,-z,-1	-4'⁺₀₀₁
4	-y,x,-z,-1	-4'^-₀₀₁

[Hide]

Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

[Show only magnetic atoms] Use MVISUALIZE to:
[Show all the atoms]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.50000	0.00000	0.00000	4	0,0,m_z	3.5(1)	3.50
Co2_1	Co	0.79320	0.07490	0.98610	8	m_x,m_y,m_z	-2.8(6)	2.80
Co2_2	Co	0.79320	0.92510	0.48610	8	m_x,m_y,m_z	3.5(6)	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.00000	0.00000	0.25000	4
Cs2_1	Cs	0.34330	0.83410	0.67990	8
Cs2_2	Cs	0.34330	0.16590	0.17990	8
F1_1	F	0.34320	0.00140	0.98990	8
F1_2	F	0.34320	0.99860	0.48990	8
F2_1	F	0.14120	0.06550	0.99120	8
F2_2	F	0.14120	0.93450	0.49120	8
F3_1	F	0.07670	0.20940	0.14440	8
F3_2	F	0.07670	0.79060	0.64440	8
F4_1	F	0.91970	0.79120	0.86320	8
F4_2	F	0.91970	0.20880	0.36320	8
F5	F	0.72080	0.22080	0.00000	8
F6_1	F	0.00000	0.50000	0.14330	4
F6_2	F	0.00000	0.50000	0.64330	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.50000
2	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-3.50000
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.50000
4	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79320	0.07490	0.98610	m_x,m_y,m_z	0.00000	0.00000	-2.80000
2	0.20680	0.92510	0.98610	-m_x,-m_y,m_z	0.00000	0.00000	-2.80000
3	0.07490	0.20680	0.01390	m_y,-m_x,-m_z	0.00000	0.00000	2.80000
4	0.92510	0.79320	0.01390	-m_y,m_x,-m_z	0.00000	0.00000	2.80000
(1/2,1/2,1/2) + set click here to show and hide
5	0.29320	0.57490	0.48610	m_x,m_y,m_z	0.00000	0.00000	-2.80000
6	0.70680	0.42510	0.48610	-m_x,-m_y,m_z	0.00000	0.00000	-2.80000
7	0.57490	0.70680	0.51390	m_y,-m_x,-m_z	0.00000	0.00000	2.80000
8	0.42510	0.29320	0.51390	-m_y,m_x,-m_z	0.00000	0.00000	2.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79320	0.92510	0.48610	m_x,m_y,m_z	0.00000	0.00000	3.50000
2	0.20680	0.07490	0.48610	-m_x,-m_y,m_z	0.00000	0.00000	3.50000
3	0.92510	0.20680	0.51390	m_y,-m_x,-m_z	0.00000	0.00000	-3.50000
4	0.07490	0.79320	0.51390	-m_y,m_x,-m_z	0.00000	0.00000	-3.50000
(1/2,1/2,1/2) + set click here to show and hide
5	0.29320	0.42510	0.98610	m_x,m_y,m_z	0.00000	0.00000	3.50000
6	0.70680	0.57490	0.98610	-m_x,-m_y,m_z	0.00000	0.00000	3.50000
7	0.42510	0.70680	0.01390	m_y,-m_x,-m_z	0.00000	0.00000	-3.50000
8	0.57490	0.29320	0.01390	-m_y,m_x,-m_z	0.00000	0.00000	-3.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Cs2_1:

Atom	x	y	z
1	0.34330	0.83410	0.67990
2	0.65670	0.16590	0.67990
3	0.83410	0.65670	0.32010
4	0.16590	0.34330	0.32010
(1/2,1/2,1/2) + set click here to show and hide
5	0.84330	0.33410	0.17990
6	0.15670	0.66590	0.17990
7	0.33410	0.15670	0.82010
8	0.66590	0.84330	0.82010

Set of atoms in the unit cell related by symmetry with the atom Cs2_2:

Atom	x	y	z
1	0.34330	0.16590	0.17990
2	0.65670	0.83410	0.17990
3	0.16590	0.65670	0.82010
4	0.83410	0.34330	0.82010
(1/2,1/2,1/2) + set click here to show and hide
5	0.84330	0.66590	0.67990
6	0.15670	0.33410	0.67990
7	0.66590	0.15670	0.32010
8	0.33410	0.84330	0.32010

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.34320	0.00140	0.98990
2	0.65680	0.99860	0.98990
3	0.00140	0.65680	0.01010
4	0.99860	0.34320	0.01010
(1/2,1/2,1/2) + set click here to show and hide
5	0.84320	0.50140	0.48990
6	0.15680	0.49860	0.48990
7	0.50140	0.15680	0.51010
8	0.49860	0.84320	0.51010

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.34320	0.99860	0.48990
2	0.65680	0.00140	0.48990
3	0.99860	0.65680	0.51010
4	0.00140	0.34320	0.51010
(1/2,1/2,1/2) + set click here to show and hide
5	0.84320	0.49860	0.98990
6	0.15680	0.50140	0.98990
7	0.49860	0.15680	0.01010
8	0.50140	0.84320	0.01010

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.14120	0.06550	0.99120
2	0.85880	0.93450	0.99120
3	0.06550	0.85880	0.00880
4	0.93450	0.14120	0.00880
(1/2,1/2,1/2) + set click here to show and hide
5	0.64120	0.56550	0.49120
6	0.35880	0.43450	0.49120
7	0.56550	0.35880	0.50880
8	0.43450	0.64120	0.50880

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.14120	0.93450	0.49120
2	0.85880	0.06550	0.49120
3	0.93450	0.85880	0.50880
4	0.06550	0.14120	0.50880
(1/2,1/2,1/2) + set click here to show and hide
5	0.64120	0.43450	0.99120
6	0.35880	0.56550	0.99120
7	0.43450	0.35880	0.00880
8	0.56550	0.64120	0.00880

Set of atoms in the unit cell related by symmetry with the atom F3_1:

Atom	x	y	z
1	0.07670	0.20940	0.14440
2	0.92330	0.79060	0.14440
3	0.20940	0.92330	0.85560
4	0.79060	0.07670	0.85560
(1/2,1/2,1/2) + set click here to show and hide
5	0.57670	0.70940	0.64440
6	0.42330	0.29060	0.64440
7	0.70940	0.42330	0.35560
8	0.29060	0.57670	0.35560

Set of atoms in the unit cell related by symmetry with the atom F3_2:

Atom	x	y	z
1	0.07670	0.79060	0.64440
2	0.92330	0.20940	0.64440
3	0.79060	0.92330	0.35560
4	0.20940	0.07670	0.35560
(1/2,1/2,1/2) + set click here to show and hide
5	0.57670	0.29060	0.14440
6	0.42330	0.70940	0.14440
7	0.29060	0.42330	0.85560
8	0.70940	0.57670	0.85560

Set of atoms in the unit cell related by symmetry with the atom F4_1:

Atom	x	y	z
1	0.91970	0.79120	0.86320
2	0.08030	0.20880	0.86320
3	0.79120	0.08030	0.13680
4	0.20880	0.91970	0.13680
(1/2,1/2,1/2) + set click here to show and hide
5	0.41970	0.29120	0.36320
6	0.58030	0.70880	0.36320
7	0.29120	0.58030	0.63680
8	0.70880	0.41970	0.63680

Set of atoms in the unit cell related by symmetry with the atom F4_2:

Atom	x	y	z
1	0.91970	0.20880	0.36320
2	0.08030	0.79120	0.36320
3	0.20880	0.08030	0.63680
4	0.79120	0.91970	0.63680
(1/2,1/2,1/2) + set click here to show and hide
5	0.41970	0.70880	0.86320
6	0.58030	0.29120	0.86320
7	0.70880	0.58030	0.13680
8	0.29120	0.41970	0.13680

Set of atoms in the unit cell related by symmetry with the atom F5:

Atom	x	y	z
1	0.72080	0.22080	0.00000
2	0.27920	0.77920	0.00000
3	0.22080	0.27920	0.00000
4	0.77920	0.72080	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.22080	0.72080	0.50000
6	0.77920	0.27920	0.50000
7	0.72080	0.77920	0.50000
8	0.27920	0.22080	0.50000

Set of atoms in the unit cell related by symmetry with the atom F6_1:

Atom	x	y	z
1	0.00000	0.50000	0.14330
2	0.50000	0.00000	0.85670
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.64330
4	0.00000	0.50000	0.35670

Set of atoms in the unit cell related by symmetry with the atom F6_2:

Atom	x	y	z
1	0.00000	0.50000	0.64330
2	0.50000	0.00000	0.35670
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.14330
4	0.00000	0.50000	0.85670

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Co1	Co	0.50000	0.00000	0.00000	4	0,0,m_z	3.5(1)	3.50
Co2_1	Co	0.79320	0.07490	0.98610	8	m_x,m_y,m_z	-2.8(6)	2.80
Co2_2	Co	0.79320	0.92510	0.48610	8	m_x,m_y,m_z	3.5(6)	3.50

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.50000
2	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-3.50000
(1/2,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.50000
4	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79320	0.07490	0.98610	m_x,m_y,m_z	0.00000	0.00000	-2.80000
2	0.20680	0.92510	0.98610	-m_x,-m_y,m_z	0.00000	0.00000	-2.80000
3	0.07490	0.20680	0.01390	m_y,-m_x,-m_z	0.00000	0.00000	2.80000
4	0.92510	0.79320	0.01390	-m_y,m_x,-m_z	0.00000	0.00000	2.80000
(1/2,1/2,1/2) + set click here to show and hide
5	0.29320	0.57490	0.48610	m_x,m_y,m_z	0.00000	0.00000	-2.80000
6	0.70680	0.42510	0.48610	-m_x,-m_y,m_z	0.00000	0.00000	-2.80000
7	0.57490	0.70680	0.51390	m_y,-m_x,-m_z	0.00000	0.00000	2.80000
8	0.42510	0.29320	0.51390	-m_y,m_x,-m_z	0.00000	0.00000	2.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79320	0.92510	0.48610	m_x,m_y,m_z	0.00000	0.00000	3.50000
2	0.20680	0.07490	0.48610	-m_x,-m_y,m_z	0.00000	0.00000	3.50000
3	0.92510	0.20680	0.51390	m_y,-m_x,-m_z	0.00000	0.00000	-3.50000
4	0.07490	0.79320	0.51390	-m_y,m_x,-m_z	0.00000	0.00000	-3.50000
(1/2,1/2,1/2) + set click here to show and hide
5	0.29320	0.42510	0.98610	m_x,m_y,m_z	0.00000	0.00000	3.50000
6	0.70680	0.57490	0.98610	-m_x,-m_y,m_z	0.00000	0.00000	3.50000
7	0.42510	0.70680	0.01390	m_y,-m_x,-m_z	0.00000	0.00000	-3.50000
8	0.57490	0.29320	0.01390	-m_y,m_x,-m_z	0.00000	0.00000	-3.50000

[Hide]

Active Irreps:

Irrep decomposition via

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	4
mGm4	1	1	primary	3

Comments:

Comments (symmetry):

1k magnetic structure
Two irreps involved as primary irreps. This implies two order parameters in the sense of Landau theory

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

CsCoF₄ (#0.405)

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

CsCoF4 (#0.405)

CsCoF₄ (#0.405)