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The Oxonitridoborate Eu 5 (BO 2.51(7) N 0.49(7) ) 4 and the Mixed‐Valent Borates Sr 3 Ln 2 (BO 3 ) 4 (Ln = Ho, Er)
Author(s) -
Höppe Henning A.,
Kazmierczak Karolina,
Grumbt Christine,
Schindler Lisa,
Schellenberg Inga,
Pöttgen Rainer
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201300827
Subject(s) - chemistry , europium , crystallography , crystal structure , boron , lattice energy , mössbauer spectroscopy , spectroscopy , x ray crystallography , analytical chemistry (journal) , ion , diffraction , physics , organic chemistry , quantum mechanics , optics , chromatography
The crystal structures of the mixed borates Sr 3 Er 2 (BO 3 ) 4 [ Pnma , no. 62, Z = 4, a = 738.08(2), b = 1588.94(4), c = 867.81(2) pm, 683 reflections, 70 parameters, R 1 = 0.037, wR 2 = 0.077] and Sr 3 Ho 2 (BO 3 ) 4 [ Pnma , no. 62, Z = 4, a = 738.45(7), b = 1591.55(12), c = 871.03(9) pm, 691 reflections, 59 parameters, R 1 = 0.069, wR 2 = 0.098] and europium oxonitridoborate Eu 5 (BO 2.51(7) N 0.49(7) ) 4 [ Pnma , no. 62, Z = 12, a = 2232.2(5), b = 1603.1(3), c = 879.59(18) pm, 2880 reflections, 313 parameters, R 1 = 0.027, wR 2 = 0.059] were solved from single‐crystal X‐ray diffraction data. Eu 5 (BO 2.51(7) N 0.49(7) ) 4 adopts a threefold superstructure of the structure of Sr 3 Ln 2 (BO 3 ) 4 (Ln = Ho, Er). In both structure types, the different cations are situated on common sites with a pronounced preferential occupation but no complete ordering. These conclusions are based on the crystal structure refinement, 151 Eu Mössbauer spectroscopy and MAPLE (Madelung part of lattice energy) calculations. The proposed Eu 5 (BO 3 ) 4 contains nitrogen and has a formula Eu 5 (BO 2.51(7) N 0.49(7) ) 4 as confirmed by 151 Eu Mössbauer spectroscopy. The optical reflectance spectrum of Eu 5 (BO 2.51(7) N 0.49(7) ) 4 is in accordance with the yellow colour of the compound.