MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,y,z,+1	{ m₁₀₀ \| 0 }
4	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Fe1_1	Fe	0.75000	0.75000	0.00000	1.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe1_2	Fe	0.75000	0.41667	0.00000	1.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe1_3	Fe	0.75000	0.08334	0.00000	1.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe2_1	Fe	-0.08711	0.74868	-0.01147	1.00000	4	m_x,m_y,m_z	-2.14787	0.00003	2.15
Fe2_2	Fe	-0.08711	0.41535	-0.01147	1.00000	4	m_x,m_y,m_z	1.07395	1.47519	1.82
Fe2_3	Fe	-0.08711	0.08201	-0.01147	1.00000	4	m_x,m_y,m_z	1.07387	-1.47521	1.82
Fe2_4	Fe	0.08711	-0.08465	0.51147	1.00000	4	m_x,m_y,m_z	-1.07397	-1.47521	1.82
Fe2_5	Fe	0.08711	0.58201	0.51147	1.00000	4	m_x,m_y,m_z	-1.07393	1.47525	1.82
Fe2_6	Fe	0.08711	0.24868	0.51147	1.00000	4	m_x,m_y,m_z	2.1479	-0.00003	2.15

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1_1	La	0.00000	0.60000	0.01800	0.77	2
La1_2	La	0.00000	0.93333	0.01800	0.77	2
La1_3	La	0.00000	0.76667	0.48200	0.77	2
La1_4	La	0.00000	0.43333	0.48200	0.77	2
La1_5	La	0.00000	0.26667	0.01800	0.77	2
La1_6	La	0.00000	0.10000	0.48200	0.77	2
Ca1_1	Ca	0.00000	0.60000	0.01800	0.23	2
Ca1_2	Ca	0.00000	0.93333	0.01800	0.23	2
Ca1_3	Ca	0.00000	0.76667	0.48200	0.23	2
Ca1_4	Ca	0.00000	0.43333	0.48200	0.23	2
Ca1_5	Ca	0.00000	0.26667	0.01800	0.23	2
Ca1_6	Ca	0.00000	0.10000	0.48200	0.23	2
La2_1	La	0.83200	0.59367	0.99300	0.12	4
La2_2	La	0.66800	0.07300	0.49300	0.12	4
La2_3	La	0.33200	0.23967	0.00700	0.12	4
La2_4	La	0.16800	0.42700	0.50700	0.12	4
La2_5	La	0.83200	0.26033	0.99300	0.12	4
La2_6	La	0.33200	0.90633	0.00700	0.12	4
Ca2_1	Ca	0.83200	0.59367	0.99300	0.88	4
Ca2_2	Ca	0.66800	0.07300	0.49300	0.88	4
Ca2_3	Ca	0.33200	0.23967	0.00700	0.88	4
Ca2_4	Ca	0.16800	0.42700	0.50700	0.88	4
Ca2_5	Ca	0.83200	0.26033	0.99300	0.88	4
Ca2_6	Ca	0.33200	0.90633	0.00700	0.88	4
O1_1	O	0.83100	0.74370	0.92990	1.	4
O1_2	O	0.66900	0.92297	0.42990	1.	4
O1_3	O	0.33100	0.08963	0.07010	1.	4
O1_4	O	0.16900	0.57703	0.57010	1.	4
O1_5	O	0.83100	0.41037	0.92990	1.	4
O1_6	O	0.33100	0.75630	0.07010	1.	4
O2_1	O	0.00000	0.75020	0.06140	1.	2
O2_2	O	0.00000	0.08353	0.06140	1	2
O2_3	O	0.00000	0.91687	0.43860	1.	2
O2_4	O	0.00000	0.58353	0.43860	1.	2
O2_5	O	0.00000	0.41687	0.06140	1.	2
O2_6	O	0.00000	0.25020	0.43860	1.	2
O3_1	O	0.76323	0.84367	0.21140	1.	4
O3_2	O	0.73677	0.82300	0.71140	1.	4
O3_3	O	0.26323	0.98967	0.78860	1.	4
O3_4	O	0.23677	0.67700	0.28860	1.	4
O3_5	O	0.76323	0.51033	0.21140	1.	4
O3_6	O	0.26323	0.65633	0.78860	1.	4
O4_1	O	0.90770	0.83983	0.22950	1.	4
O4_2	O	0.59230	0.82683	0.72950	1.	4
O4_3	O	0.40770	0.99350	0.77050	1.	4
O4_4	O	0.09230	0.67317	0.27050	1.	4
O4_5	O	0.90770	0.50650	0.22950	1.	4
O4_6	O	0.40770	0.66017	0.77050	1.	4
O5_1	O	0.92809	0.82430	0.71880	1.	4
O5_2	O	0.57191	0.84237	0.21880	1.	4
O5_3	O	0.42809	0.00903	0.28120	1.	4
O5_4	O	0.07191	0.65763	0.78120	1.	4
O5_5	O	0.92809	0.49097	0.71880	1.	4
O5_6	O	0.42809	0.67570	0.28120	1.	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
1	0.75000	0.75000	0.00000	m_x,m_y,m_z
2	0.75000	0.25000	0.50000	-m_x,-m_y,m_z
3	0.25000	0.75000	0.00000	m_x,-m_y,-m_z
4	0.25000	0.25000	0.50000	-m_x,m_y,-m_z

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

Atom	x	y	z	Symmetry constraints on M
1	0.75000	0.41667	0.00000	m_x,m_y,m_z
2	0.75000	0.58333	0.50000	-m_x,-m_y,m_z
3	0.25000	0.41667	0.00000	m_x,-m_y,-m_z
4	0.25000	0.58333	0.50000	-m_x,m_y,-m_z

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M
1	0.75000	0.08334	0.00000	m_x,m_y,m_z
2	0.75000	0.91666	0.50000	-m_x,-m_y,m_z
3	0.25000	0.08334	0.00000	m_x,-m_y,-m_z
4	0.25000	0.91666	0.50000	-m_x,m_y,-m_z

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.91289	0.74868	0.98853	m_x,m_y,m_z	-2.14787	0.00003
2	0.58711	0.25132	0.48853	-m_x,-m_y,m_z	2.14787	0.00003
3	0.08711	0.74868	0.98853	m_x,-m_y,-m_z	2.14787	-0.00003
4	0.41289	0.25132	0.48853	-m_x,m_y,-m_z	-2.14787	-0.00003

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.91289	0.41535	0.98853	m_x,m_y,m_z	1.07395	1.47519
2	0.58711	0.58465	0.48853	-m_x,-m_y,m_z	-1.07395	1.47519
3	0.08711	0.41535	0.98853	m_x,-m_y,-m_z	-1.07395	-1.47519
4	0.41289	0.58465	0.48853	-m_x,m_y,-m_z	1.07395	-1.47519

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_3:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.91289	0.08201	0.98853	m_x,m_y,m_z	1.07387	-1.47521
2	0.58711	0.91799	0.48853	-m_x,-m_y,m_z	-1.07387	-1.47521
3	0.08711	0.08201	0.98853	m_x,-m_y,-m_z	-1.07387	1.47521
4	0.41289	0.91799	0.48853	-m_x,m_y,-m_z	1.07387	1.47521

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_4:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.08711	0.91535	0.51147	m_x,m_y,m_z	-1.07397	-1.47521
2	0.41289	0.08465	0.01147	-m_x,-m_y,m_z	1.07397	-1.47521
3	0.91289	0.91535	0.51147	m_x,-m_y,-m_z	1.07397	1.47521
4	0.58711	0.08465	0.01147	-m_x,m_y,-m_z	-1.07397	1.47521

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_5:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.08711	0.58201	0.51147	m_x,m_y,m_z	-1.07393	1.47525
2	0.41289	0.41799	0.01147	-m_x,-m_y,m_z	1.07393	1.47525
3	0.91289	0.58201	0.51147	m_x,-m_y,-m_z	1.07393	-1.47525
4	0.58711	0.41799	0.01147	-m_x,m_y,-m_z	-1.07393	-1.47525

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_6:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.08711	0.24868	0.51147	m_x,m_y,m_z	2.14790	-0.00003
2	0.41289	0.75132	0.01147	-m_x,-m_y,m_z	-2.14790	-0.00003
3	0.91289	0.24868	0.51147	m_x,-m_y,-m_z	-2.14790	0.00003
4	0.58711	0.75132	0.01147	-m_x,m_y,-m_z	2.14790	0.00003

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.00000	0.60000	0.01800
2	0.50000	0.40000	0.51800

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.00000	0.93333	0.01800
2	0.50000	0.06667	0.51800

Set of atoms in the unit cell related by symmetry with the atom La1_3:

Atom	x	y	z
1	0.00000	0.76667	0.48200
2	0.50000	0.23333	0.98200

Set of atoms in the unit cell related by symmetry with the atom La1_4:

Atom	x	y	z
1	0.00000	0.43333	0.48200
2	0.50000	0.56667	0.98200

Set of atoms in the unit cell related by symmetry with the atom La1_5:

Atom	x	y	z
1	0.00000	0.26667	0.01800
2	0.50000	0.73333	0.51800

Set of atoms in the unit cell related by symmetry with the atom La1_6:

Atom	x	y	z
1	0.00000	0.10000	0.48200
2	0.50000	0.90000	0.98200

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.00000	0.60000	0.01800
2	0.50000	0.40000	0.51800

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.00000	0.93333	0.01800
2	0.50000	0.06667	0.51800

Set of atoms in the unit cell related by symmetry with the atom Ca1_3:

Atom	x	y	z
1	0.00000	0.76667	0.48200
2	0.50000	0.23333	0.98200

Set of atoms in the unit cell related by symmetry with the atom Ca1_4:

Atom	x	y	z
1	0.00000	0.43333	0.48200
2	0.50000	0.56667	0.98200

Set of atoms in the unit cell related by symmetry with the atom Ca1_5:

Atom	x	y	z
1	0.00000	0.26667	0.01800
2	0.50000	0.73333	0.51800

Set of atoms in the unit cell related by symmetry with the atom Ca1_6:

Atom	x	y	z
1	0.00000	0.10000	0.48200
2	0.50000	0.90000	0.98200

Set of atoms in the unit cell related by symmetry with the atom La2_1:

Atom	x	y	z
1	0.83200	0.59367	0.99300
2	0.66800	0.40633	0.49300
3	0.16800	0.59367	0.99300
4	0.33200	0.40633	0.49300

Set of atoms in the unit cell related by symmetry with the atom La2_2:

Atom	x	y	z
1	0.66800	0.07300	0.49300
2	0.83200	0.92700	0.99300
3	0.33200	0.07300	0.49300
4	0.16800	0.92700	0.99300

Set of atoms in the unit cell related by symmetry with the atom La2_3:

Atom	x	y	z
1	0.33200	0.23967	0.00700
2	0.16800	0.76033	0.50700
3	0.66800	0.23967	0.00700
4	0.83200	0.76033	0.50700

Set of atoms in the unit cell related by symmetry with the atom La2_4:

Atom	x	y	z
1	0.16800	0.42700	0.50700
2	0.33200	0.57300	0.00700
3	0.83200	0.42700	0.50700
4	0.66800	0.57300	0.00700

Set of atoms in the unit cell related by symmetry with the atom La2_5:

Atom	x	y	z
1	0.83200	0.26033	0.99300
2	0.66800	0.73967	0.49300
3	0.16800	0.26033	0.99300
4	0.33200	0.73967	0.49300

Set of atoms in the unit cell related by symmetry with the atom La2_6:

Atom	x	y	z
1	0.33200	0.90633	0.00700
2	0.16800	0.09367	0.50700
3	0.66800	0.90633	0.00700
4	0.83200	0.09367	0.50700

Set of atoms in the unit cell related by symmetry with the atom Ca2_1:

Atom	x	y	z
1	0.83200	0.59367	0.99300
2	0.66800	0.40633	0.49300
3	0.16800	0.59367	0.99300
4	0.33200	0.40633	0.49300

Set of atoms in the unit cell related by symmetry with the atom Ca2_2:

Atom	x	y	z
1	0.66800	0.07300	0.49300
2	0.83200	0.92700	0.99300
3	0.33200	0.07300	0.49300
4	0.16800	0.92700	0.99300

Set of atoms in the unit cell related by symmetry with the atom Ca2_3:

Atom	x	y	z
1	0.33200	0.23967	0.00700
2	0.16800	0.76033	0.50700
3	0.66800	0.23967	0.00700
4	0.83200	0.76033	0.50700

Set of atoms in the unit cell related by symmetry with the atom Ca2_4:

Atom	x	y	z
1	0.16800	0.42700	0.50700
2	0.33200	0.57300	0.00700
3	0.83200	0.42700	0.50700
4	0.66800	0.57300	0.00700

Set of atoms in the unit cell related by symmetry with the atom Ca2_5:

Atom	x	y	z
1	0.83200	0.26033	0.99300
2	0.66800	0.73967	0.49300
3	0.16800	0.26033	0.99300
4	0.33200	0.73967	0.49300

Set of atoms in the unit cell related by symmetry with the atom Ca2_6:

Atom	x	y	z
1	0.33200	0.90633	0.00700
2	0.16800	0.09367	0.50700
3	0.66800	0.90633	0.00700
4	0.83200	0.09367	0.50700

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

Atom	x	y	z
1	0.83100	0.74370	0.92990
2	0.66900	0.25630	0.42990
3	0.16900	0.74370	0.92990
4	0.33100	0.25630	0.42990

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

Atom	x	y	z
1	0.66900	0.92297	0.42990
2	0.83100	0.07703	0.92990
3	0.33100	0.92297	0.42990
4	0.16900	0.07703	0.92990

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.33100	0.08963	0.07010
2	0.16900	0.91037	0.57010
3	0.66900	0.08963	0.07010
4	0.83100	0.91037	0.57010

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.16900	0.57703	0.57010
2	0.33100	0.42297	0.07010
3	0.83100	0.57703	0.57010
4	0.66900	0.42297	0.07010

Set of atoms in the unit cell related by symmetry with the atom O1_5:

Atom	x	y	z
1	0.83100	0.41037	0.92990
2	0.66900	0.58963	0.42990
3	0.16900	0.41037	0.92990
4	0.33100	0.58963	0.42990

Set of atoms in the unit cell related by symmetry with the atom O1_6:

Atom	x	y	z
1	0.33100	0.75630	0.07010
2	0.16900	0.24370	0.57010
3	0.66900	0.75630	0.07010
4	0.83100	0.24370	0.57010

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

Atom	x	y	z
1	0.00000	0.75020	0.06140
2	0.50000	0.24980	0.56140

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

Atom	x	y	z
1	0.00000	0.08353	0.06140
2	0.50000	0.91647	0.56140

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.00000	0.91687	0.43860
2	0.50000	0.08313	0.93860

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.00000	0.58353	0.43860
2	0.50000	0.41647	0.93860

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.00000	0.41687	0.06140
2	0.50000	0.58313	0.56140

Set of atoms in the unit cell related by symmetry with the atom O2_6:

Atom	x	y	z
1	0.00000	0.25020	0.43860
2	0.50000	0.74980	0.93860

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

Atom	x	y	z
1	0.76323	0.84367	0.21140
2	0.73677	0.15633	0.71140
3	0.23677	0.84367	0.21140
4	0.26323	0.15633	0.71140

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

Atom	x	y	z
1	0.73677	0.82300	0.71140
2	0.76323	0.17700	0.21140
3	0.26323	0.82300	0.71140
4	0.23677	0.17700	0.21140

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.26323	0.98967	0.78860
2	0.23677	0.01033	0.28860
3	0.73677	0.98967	0.78860
4	0.76323	0.01033	0.28860

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.23677	0.67700	0.28860
2	0.26323	0.32300	0.78860
3	0.76323	0.67700	0.28860
4	0.73677	0.32300	0.78860

Set of atoms in the unit cell related by symmetry with the atom O3_5:

Atom	x	y	z
1	0.76323	0.51033	0.21140
2	0.73677	0.48967	0.71140
3	0.23677	0.51033	0.21140
4	0.26323	0.48967	0.71140

Set of atoms in the unit cell related by symmetry with the atom O3_6:

Atom	x	y	z
1	0.26323	0.65633	0.78860
2	0.23677	0.34367	0.28860
3	0.73677	0.65633	0.78860
4	0.76323	0.34367	0.28860

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

Atom	x	y	z
1	0.90770	0.83983	0.22950
2	0.59230	0.16017	0.72950
3	0.09230	0.83983	0.22950
4	0.40770	0.16017	0.72950

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

Atom	x	y	z
1	0.59230	0.82683	0.72950
2	0.90770	0.17317	0.22950
3	0.40770	0.82683	0.72950
4	0.09230	0.17317	0.22950

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.40770	0.99350	0.77050
2	0.09230	0.00650	0.27050
3	0.59230	0.99350	0.77050
4	0.90770	0.00650	0.27050

Set of atoms in the unit cell related by symmetry with the atom O4_4:

Atom	x	y	z
1	0.09230	0.67317	0.27050
2	0.40770	0.32683	0.77050
3	0.90770	0.67317	0.27050
4	0.59230	0.32683	0.77050

Set of atoms in the unit cell related by symmetry with the atom O4_5:

Atom	x	y	z
1	0.90770	0.50650	0.22950
2	0.59230	0.49350	0.72950
3	0.09230	0.50650	0.22950
4	0.40770	0.49350	0.72950

Set of atoms in the unit cell related by symmetry with the atom O4_6:

Atom	x	y	z
1	0.40770	0.66017	0.77050
2	0.09230	0.33983	0.27050
3	0.59230	0.66017	0.77050
4	0.90770	0.33983	0.27050

Set of atoms in the unit cell related by symmetry with the atom O5_1:

Atom	x	y	z
1	0.92809	0.82430	0.71880
2	0.57191	0.17570	0.21880
3	0.07191	0.82430	0.71880
4	0.42809	0.17570	0.21880

Set of atoms in the unit cell related by symmetry with the atom O5_2:

Atom	x	y	z
1	0.57191	0.84237	0.21880
2	0.92809	0.15763	0.71880
3	0.42809	0.84237	0.21880
4	0.07191	0.15763	0.71880

Set of atoms in the unit cell related by symmetry with the atom O5_3:

Atom	x	y	z
1	0.42809	0.00903	0.28120
2	0.07191	0.99097	0.78120
3	0.57191	0.00903	0.28120
4	0.92809	0.99097	0.78120

Set of atoms in the unit cell related by symmetry with the atom O5_4:

Atom	x	y	z
1	0.07191	0.65763	0.78120
2	0.42809	0.34237	0.28120
3	0.92809	0.65763	0.78120
4	0.57191	0.34237	0.28120

Set of atoms in the unit cell related by symmetry with the atom O5_5:

Atom	x	y	z
1	0.92809	0.49097	0.71880
2	0.57191	0.50903	0.21880
3	0.07191	0.49097	0.71880
4	0.42809	0.50903	0.21880

Set of atoms in the unit cell related by symmetry with the atom O5_6:

Atom	x	y	z
1	0.42809	0.67570	0.28120
2	0.07191	0.32430	0.78120
3	0.57191	0.67570	0.28120
4	0.92809	0.32430	0.78120

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Fe1_1	Fe	0.75000	0.75000	0.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe1_2	Fe	0.75000	0.41667	0.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe1_3	Fe	0.75000	0.08334	0.00000	4	m_x,m_y,m_z	0.0	0.0	0.00
Fe2_1	Fe	-0.08711	0.74868	-0.01147	4	m_x,m_y,m_z	-2.14787	0.00003	2.15
Fe2_2	Fe	-0.08711	0.41535	-0.01147	4	m_x,m_y,m_z	1.07395	1.47519	1.82
Fe2_3	Fe	-0.08711	0.08201	-0.01147	4	m_x,m_y,m_z	1.07387	-1.47521	1.82
Fe2_4	Fe	0.08711	-0.08465	0.51147	4	m_x,m_y,m_z	-1.07397	-1.47521	1.82
Fe2_5	Fe	0.08711	0.58201	0.51147	4	m_x,m_y,m_z	-1.07393	1.47525	1.82
Fe2_6	Fe	0.08711	0.24868	0.51147	4	m_x,m_y,m_z	2.1479	-0.00003	2.15

[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: