Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P 2₁′2₁′2₁ →

Atom sites · 54 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0.2831	0.0426	0.2491	−1.23	−3.5	0.05	3.7102
Fe1_2	Fe	0.7169	0.9574	0.7509	1.81	−3.2	0.05	3.6768
Cl4_1	Cl	0.2013	0.9887	0.3713
Cl4_2	Cl	0.7987	0.0113	0.6287
Cl2_1	Cl	0.4419	0.9853	0.2559
Cl2_2	Cl	0.5582	0.0147	0.7441
Cl1_1	Cl	0.2162	0.9785	0.1221
Cl1_2	Cl	0.7837	0.0215	0.8779
Cl3_1	Cl	0.2785	0.2175	0.2424
Cl3_2	Cl	0.7215	0.7825	0.7576
N1_1	N	0.0975	0.2961	0.0821
N1_2	N	0.9025	0.7039	0.9179
C7_1	C	0.9813	0.3358	0.9534
C7_2	C	0.0187	0.6642	0.0466
H71_1	H	0.9011	0.3631	0.9503
H71_2	H	0.0989	0.6369	0.0497
H72_1	H	0.0183	0.3644	0.8904
H72_2	H	0.9817	0.6356	0.1096
C3_1	C	0.0981	0.1804	0.9456
C3_2	C	0.9019	0.8196	0.0544
H31_1	H	0.125	0.1924	0.8768
H31_2	H	0.875	0.8076	0.1232
H32_1	H	0.1059	0.0954	0.9608
H32_2	H	0.8941	0.9046	0.0392
C2_1	C	0.1651	0.2446	0.0113
C2_2	C	0.8349	0.7554	0.9887
H21_1	H	0.2198	0.1951	0.0481
H21_2	H	0.7802	0.8049	0.9519
H22_1	H	0.2054	0.3091	0.9764
H22_2	H	0.7946	0.6909	0.0236
C6_1	C	0.0278	0.2155	0.1253
C6_2	C	0.9722	0.7845	0.8747
H61_1	H	0.9924	0.2525	0.1855
H61_2	H	0.0076	0.7475	0.8145
H62_1	H	0.0746	0.1508	0.1492
H62_2	H	0.9254	0.8492	0.8508
C4_1	C	0.9863	0.2148	0.9581
C4_2	C	0.0137	0.7852	0.0419
H4_1	H	0.9395	0.1798	0.9043
H4_2	H	0.0605	0.8202	0.0957
C5_1	C	0.9503	0.178	0.0525
C5_2	C	0.0497	0.822	0.9475
H51_1	H	0.8736	0.2107	0.0677
H51_2	H	0.1264	0.7893	0.9323
H52_1	H	0.9396	0.0925	0.0574
H52_2	H	0.0604	0.9075	0.9426
C8_1	C	0.0352	0.3829	0.0374
C8_2	C	0.9648	0.6171	0.9626
H81_1	H	0.0892	0.4462	0.0204
H81_2	H	0.9108	0.5538	0.9796
H82_1	H	0.9825	0.4116	0.0893
H82_2	H	0.0175	0.5884	0.9107
H1_1	H	0.1424	0.3318	0.1318
H1_2	H	0.8576	0.6682	0.8682

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Original file

sha256 of this copy: 65f803fbb9a2a9f971be7a2650b57a960145cc39a1752cb1a2994280780bcb59
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.851_C7H14NFeCl4.mcif.

Magnetic group	P 2₁′2₁′2₁ BNS 19.27
Point group	2′2′2
Parent space group	P b c a No. 61
Spins	coplanar · net moment 0.4 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 13.0547 · b 12.5671 · c 14.6 Å · α 90° · β 90° · γ 90°
Transition	3 K (−270 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	3.5 μ_B
Method	Neutron single-crystal on the D19 in Institut Laue-Langevin

C₇H₁₄Cl₄FeN

Symmetry

Source

Original file

C7H14Cl4FeN

Symmetry

Source

Original file

C₇H₁₄Cl₄FeN