Research/Sitter/MAGNDATA / 1.66_Fe(ND3)2PO4.mcif

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Spin lattice of Fe(ND3)2PO4Spin lattice of Fe(ND3)2PO4

Fe(ND3)2PO4

MAGNDATA entry 1.66 · source
antiferromagnet
No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.
Spin group ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
Structure · 10 properties
Magnetic groupPS 1 BNS 2.7
Point group11′
Parent space groupP 21/n No. 14
Spinscollinear · net moment 0 μB per cell
Propagation[1/2 0 0] 1k
Cella 12.7214 · b 10.0927 · c 7.569 Å · α 90° · β 92.56° · γ 90°
Measured at2 K
Magnetic ionsFe
Largest moment component3.05 μB
MethodNPD

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 PS 1 →
Atom sites · 28 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1_1Fe0.62780.34220.588602.09−3.053.6974
Fe1_2Fe0.12220.84220.911402.09−3.053.6974
P1_1P0.62950.6670.546
P1_2P0.12050.1670.954
O1_1O0.78060.84820.9166
O1_2O0.96940.34820.5834
O2_1O0.71650.6790.42
O2_2O0.03350.1790.08
O3_1O0.61350.78010.6588
O3_2O0.13650.28010.8412
O4_1O0.63250.53310.6588
O4_2O0.11750.03310.8412
N1_1N0.61470.1410.4868
N1_2N0.13530.6410.0132
D1_1D0.9210.3750.8997
D1_2D0.8290.8750.6003
D2_1D0.5490.13110.4168
D2_2D0.2010.63110.0832
D3_1D0.6180.07180.593
D3_2D0.1320.57180.907
N2_1N0.61750.39390.3177
N2_2N0.13250.89390.1823
D4_1D0.6810.97610.201
D4_2D0.0690.47610.299
D5_1D0.80850.56620.7206
D5_2D0.94150.06620.7794
D6_1D0.65750.82060.271
D6_2D0.09250.32060.229

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

Source

B.F. Alfonso et al. J. Phys.: Condens. Matter (2008) · doi:10.1088/0953-8984/20/10/104227

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.66_Fe(ND3)2PO4.mcif from MAGNDATA · entry page

sha256 of this copy: 9c92da4b77088b54c5460d465f7b8e11c8177f3c2a762eb1b44e3d7056190403
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.66_Fe(ND3)2PO4.mcif.