Evgeny N. BULANOV, Sergey S. PETROV, Alexander V. KNYAZEV

New iodine-apatites: synthesis and crystal structure

The paper describes methods for the preparation of compounds with an apatite structure containing only iodine atoms in the “halogen” position. The crystal structure of the compounds was refined by the Rietveld method. The resulting apatites have a structure with a space group P63 /m and have the following unit cell parameters: $Ba^{4f} _{1.78(2)}Ba^{6h} _{2.75(2){(PO_4 )_3 I_{0.04(2) }$(a = 10.18609(34) Å, c = 7.71113(30) Å, V = 692.889(54) $Å^3$ , R = 5.448 %), $Pb^{4f} _{1.82(2)}Pb^{6h} _{2.75(2)}(PO_4 )_3 I_{0.13(2) }$(a = 9.87882(18) Å, c = 7.43222(16) Å, V = 628.144(26) $Å^3$ , R = 8.533 %), $Pb^{4f} _{1.90(2)}Pb^{6h} _{2.68(2)}(PO_4 )_3 I_{0.16(2)} (a = 9.87058(48) Å, c = 7.41255(46) Å, V = 625.437(72) $Å3$ , R = 5.433 %). The study of the crystal structure showed a relatively low efficiency of the binding of iodine in the apatite matrix.

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1. Edwards RR. Iodine-129: Its occurrence in nature and its utility as a tracer. Science 1962; 137 (3533): 851-853. doi: 10.1126/ science.137.3533.851
2. Moore RC, Pearce CI, Morad JW, Chatterjeea S, Levitskaiaa TG et al. Iodine immobilization by materials through sorption and redoxdriven processes: A literature review. Science of the Total Environment 2020; 716: 132820. doi: 10.1016/j.scitotenv.2019.06.166
3. Riley BJ, Vienna JD, Strachan DM, McCloy JS, Jerden JL. Materials and processes for the effective capture and immobilization of radioiodine: A review. Journal of Nuclear Materials 2016; 470: 307-326. doi: 10.1016/j.jnucmat.2015.11.038
4. Le Gallet S, Campayo L, Courtois E, Hoffmann S, Grin Y et al. Spark plasma sintering of iodine-bearing apatite. Journal of Nuclear Materials 2010; 400 (3): 251-256. doi: 10.1016/j.jnucmat.2010.03.011
5. Campayo L, Le Gallet S, Perret D, Courtois E, Cau Dit Coumes C et al. Relevance of the choice of spark plasma sintering parameters in obtaining a suitable microstructure for iodine-bearing apatite designed for the conditioning of I-129. Journal of Nuclear Materials 2015; 457: 63-71. doi: 10.1016/j.jnucmat.2014.10.026
6. Coulon A, Laurencin D, Grandjean A, Le Gallet S, Minier L et al. Key parameters for spark plasma sintering of wet-precipitated iodatesubstituted hydroxyapatite. Journal of the European Ceramic Society 2016; 36 (8): 2009-2016. doi: 10.1016/j.jeurceramsoc.2016.02.041
7. White T. Apatite - An Adaptive Framework Structure. Reviews in Mineralogy and Geochemistry 2005; 57 (1): 307-401. doi: 10.2138/ rmg.2005.57.10
8. Tite T, Popa AC, Balescu LM et al. Cationic substitutions in hydroxyapatite: Current status of the derived biofunctional effects and their in vitro interrogation methods. Materials (Basel) 2018; 11 (11): 1-62. doi: 10.3390/ma11112081
9. Potanina E, Golovkina L, Orlova A, Nokhrin A, Boldin M et al. Lanthanide (Nd, Gd) compounds with garnet and monazite structures. Powders synthesis by “wet” chemistry to sintering ceramics by Spark Plasma Sintering. Journal of Nuclear Materials 2016; 473: 93-98. doi: 10.1016/j.jnucmat.2016.02.014
10. Orlova AI, Ojovan MI. Ceramic mineral waste-forms for nuclear waste immobilization. Materials (Basel) 2019; 12 (16): 2638. doi: 10.3390/ ma12162638
11. Bogdanov RV, Kuznetsov RA. Aluminosilicophosphate geoceramics as matrices for the immobilization of partitioned 90Sr and 137Cs wastes. Radiochemistry 2006; 48 (2): 204-211. doi: 10.1134/S1066362206020202
12. Kuznetsov RA, Platonova NV, Bogdanov RV. A polyphase geoceramic matrix for joint immobilization of the strontium-cesium and rare earth fractions of high-level waste. Radiochemistry 2015; 57 (2): 200-206. doi: 10.1134/S1066362215020137
13. Bulanov EN, Knyazev AV, Lelet MI. Thermodynamic Modeling of Integration of Strontium into Bone Tissue Hydroxyapatite. Applied Solid State Chemistry 2017; 1 (1): 42-47. doi: 10.18572/2619-0141-2017-1-1-42-47
14. Wang J. Incorporation of iodine into apatite structure: A crystal chemistry approach using Artificial Neural Network. Frontiers in Earth Science 2015; 3 (June): 1-11. doi: 10.3389/feart.2015.00020
15. Hartnett TQ, Ayyasamy MV, Balachandran P V. Prediction of new iodine-containing apatites using machine learning and density functional theory. MRS Communications 2019; 9 (3): 882-890. doi: 10.1557/mrc.2019.103
16. Venkatesan S, Hassan Mul, Ryu HJ. Adsorption and immobilization of radioactive ionic-corrosion-products using magnetic hydroxyapatite and cold-sintering for nuclear waste management applications. Journal of Nuclear Materials 2019; 514: 40-49. doi: 10.1016/j.jnucmat.2018.11.026
17. Zhang Z, Ebert WL, Yao T, Lian J, Valsaraj KT et al. Chemical Durability and Dissolution Kinetics of Iodoapatite in Aqueous Solutions. ACS Earth and Space Chemistry 2019; 3 (3): 452-462. doi: 10.1021/acsearthspacechem.8b00162
18. Stennett MC, Pinnock IJ, Hyatt NC. Rapid synthesis of $Pb_5(VO_4)_3I$, for the immobilisation of iodine radioisotopes, by microwave dielectric heating. Journal of Nuclear Materials 2011; 414 (3): 352-359. doi: 10.1016/j.jnucmat.2011.04.041
19. Suetsugu Y. Synthesis of lead vanadate iodoapatite utilizing dry mechanochemical process. Journal of Nuclear Materials 2014; 454 (1-3): 223-229. doi: 10.1016/j.jnucmat.2014.07.073
20. Rietveld HM. The Rietveld method. Physica Scripta 2014; 89 (9). doi: 10.1088/0031-8949/89/9/098002
21. Alberius-Henning P, Mattsson C, Lidin S. Crystal structure of pentastrontium tris (phosphate) bromide, Sr5 (PO4)3Br and of pentabariumtris(phosphate) bromide $Ba_5(PO_4)_3$ Br, two bromoapatites. Zeitschrift für Kristallographie - New Crystal Structures 2000; 215 (3): 345-346. doi: 10.1515/ncrs-2000-0319
22. Sudarsanan K, Young RA, Wilson AJC. The structures of some cadmium `apatites’ $Cd_5(MO_4)_3 X$ . I. Determination of the structures of$Cd_5(VO_4)_3I, Cd_5(PO_4)_3Br, Cd_5(AsO_4)3Br and Cd_5(VO_4)_3$ Br . Acta Crystallographica Section B: Structural Science 1977; 33 (10): 3136-3142. doi: 10.1107/s0567740877010413
23. Patterson AL. The scherrer formula for X-ray particle size determination. Physical Review 1939; 56 (10): 978-982. doi: 10.1103/ PhysRev.56.978
24. Sugiyama K, Tokonami M. The crystal structure refinements of the strontium and barium orthophosphates. Mineralogical Journal 1990: 141-146.
25. Hata M, Marumo F, Iwai S, Aoki H. Structure of barium chlorapatite. Acta Crystallographica Section B: Structural Science 1979; 35 (10): 2382-2384. doi: 10.1107/s0567740879009377
26. Elliott JC, Dykes E, Mackie PE. Structure of bromapatite and the radius of the bromide ion. Acta Crystallographica Section B: Structural Science 1981; 37 (2): 435-438. doi: 10.1107/s0567740881003208
27. Henning PA, Lidin S, Petříček V. Iodo-oxyapatite, the first example from a new class of modulated apatites. Acta Crystallographica Section B: Structural Science 1999; 55 (2): 165-169. doi: 10.1107/s0108768198012312
28. Lim SC, Baikie T, Pramana SS, Smith R, White TJ. Apatite metaprism twist angle (φ) as a tool for crystallochemical diagnosis. Journal of Solid State Chemistry 2011; 184 (11): 2978-2985. doi: 10.1016/j.jssc.2011.08.031
29. Hata M, Marumo F, Iwai SI. Structure of a Lead Apatite $Pb_9(PO_4)_6$ . Acta Crystallographica B 1980; 36: 2128-2130. doi: 10.1107/ S0567740880008096
30. Chernorukov NG, Knyazev AV, Bulanov EN. Phase transitions and thermal expansion of apatite-structured compounds. Inorganic Materials 2011; 47 (2): 172-177. doi: 10.1134/S002016851101002X