Sr, Ba and Cd arsenates with the apatite-type structure
Abstract
X-ray diffraction analysis of single crystals of three new arsenates adopting apatite-type structures yielded formula Sr(5)(AsO(4))(3)F for strontium arsenate fluoride, (I), (Sr(1.66)Ba(0.34))-(Ba(2.61)Sr(0.39))(AsO(4))(3)Cl for strontium barium arsenate chloride, (II), and Cd(5)(AsO(4))(3)Cl(0.58)(OH)(0.42) for cadmium arsenate hydroxide chloride, (III). All three structures are built up of isolated slightly distorted AsO(4) tetrahedra that are bridged by Sr(2+) in (I), by Sr(2+)/Ba(2+) in (II) and by Cd(2+) in (III). Compounds (I) and ( II) represent typical fluorapatites and chlorapatites, respectively, with F(-) at the 2a (0, 0, 1/4) site and Cl(-) at the 2b (0, 0, 0) site of P6(3)/m. In contrast, in (III), due to the requirement that the smaller Cd(2+) cation is positioned closer to the channel Cl(-) anion (partially substituted by OH(-)), the anion occupies the unusual 2a (0, 0, 1/4) site. Therefore, Cl(-) is similar to F(-) in (I), coordinated by three A2 cations, unlike the oct...ahedrally coordinated Cl(-) in (II) and other ordinary chlorapatites. Furthermore, in (III), using FTIR studies, we have inferred the existence of H(+) outside the channel in oxyhydroxyapatites and provided possible atomic coordinates for a H atom in HAsO(4)(2-), leading to a proposed formulation of the compound as Cd(5)(AsO(4))(3-x)(HAsO(4))(x)-Cl(0.58)(OH)(0.42-x-(y/2))O(x+(y/2))square(y/2).
Source:
Acta Crystallographica Section C-Crystal Structure Communications, 2008, 64, I82-I86Publisher:
- Wiley-Blackwell, Malden
Funding / projects:
- Austrian Science Foundation (FWF) [T300-N19]
- Strukturna i funkcionalna hemija nekih prelaznih i postprelaznih elemenata (RS-142030)
DOI: 10.1107/S0108270108023457
ISSN: 0108-2701
PubMed: 18758007
WoS: 000258830100002
Scopus: 2-s2.0-51049087950
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Institution/Community
Institut za tehnologiju nuklearnih i drugih mineralnih sirovinaTY - JOUR AU - Đorđević, Tamara AU - Sutović, Sabina AU - Stojanović, Jovica AU - Karanović, Ljiljana PY - 2008 UR - https://ritnms.itnms.ac.rs/handle/123456789/136 AB - X-ray diffraction analysis of single crystals of three new arsenates adopting apatite-type structures yielded formula Sr(5)(AsO(4))(3)F for strontium arsenate fluoride, (I), (Sr(1.66)Ba(0.34))-(Ba(2.61)Sr(0.39))(AsO(4))(3)Cl for strontium barium arsenate chloride, (II), and Cd(5)(AsO(4))(3)Cl(0.58)(OH)(0.42) for cadmium arsenate hydroxide chloride, (III). All three structures are built up of isolated slightly distorted AsO(4) tetrahedra that are bridged by Sr(2+) in (I), by Sr(2+)/Ba(2+) in (II) and by Cd(2+) in (III). Compounds (I) and ( II) represent typical fluorapatites and chlorapatites, respectively, with F(-) at the 2a (0, 0, 1/4) site and Cl(-) at the 2b (0, 0, 0) site of P6(3)/m. In contrast, in (III), due to the requirement that the smaller Cd(2+) cation is positioned closer to the channel Cl(-) anion (partially substituted by OH(-)), the anion occupies the unusual 2a (0, 0, 1/4) site. Therefore, Cl(-) is similar to F(-) in (I), coordinated by three A2 cations, unlike the octahedrally coordinated Cl(-) in (II) and other ordinary chlorapatites. Furthermore, in (III), using FTIR studies, we have inferred the existence of H(+) outside the channel in oxyhydroxyapatites and provided possible atomic coordinates for a H atom in HAsO(4)(2-), leading to a proposed formulation of the compound as Cd(5)(AsO(4))(3-x)(HAsO(4))(x)-Cl(0.58)(OH)(0.42-x-(y/2))O(x+(y/2))square(y/2). PB - Wiley-Blackwell, Malden T2 - Acta Crystallographica Section C-Crystal Structure Communications T1 - Sr, Ba and Cd arsenates with the apatite-type structure EP - I86 SP - I82 VL - 64 DO - 10.1107/S0108270108023457 UR - conv_549 ER -
@article{ author = "Đorđević, Tamara and Sutović, Sabina and Stojanović, Jovica and Karanović, Ljiljana", year = "2008", abstract = "X-ray diffraction analysis of single crystals of three new arsenates adopting apatite-type structures yielded formula Sr(5)(AsO(4))(3)F for strontium arsenate fluoride, (I), (Sr(1.66)Ba(0.34))-(Ba(2.61)Sr(0.39))(AsO(4))(3)Cl for strontium barium arsenate chloride, (II), and Cd(5)(AsO(4))(3)Cl(0.58)(OH)(0.42) for cadmium arsenate hydroxide chloride, (III). All three structures are built up of isolated slightly distorted AsO(4) tetrahedra that are bridged by Sr(2+) in (I), by Sr(2+)/Ba(2+) in (II) and by Cd(2+) in (III). Compounds (I) and ( II) represent typical fluorapatites and chlorapatites, respectively, with F(-) at the 2a (0, 0, 1/4) site and Cl(-) at the 2b (0, 0, 0) site of P6(3)/m. In contrast, in (III), due to the requirement that the smaller Cd(2+) cation is positioned closer to the channel Cl(-) anion (partially substituted by OH(-)), the anion occupies the unusual 2a (0, 0, 1/4) site. Therefore, Cl(-) is similar to F(-) in (I), coordinated by three A2 cations, unlike the octahedrally coordinated Cl(-) in (II) and other ordinary chlorapatites. Furthermore, in (III), using FTIR studies, we have inferred the existence of H(+) outside the channel in oxyhydroxyapatites and provided possible atomic coordinates for a H atom in HAsO(4)(2-), leading to a proposed formulation of the compound as Cd(5)(AsO(4))(3-x)(HAsO(4))(x)-Cl(0.58)(OH)(0.42-x-(y/2))O(x+(y/2))square(y/2).", publisher = "Wiley-Blackwell, Malden", journal = "Acta Crystallographica Section C-Crystal Structure Communications", title = "Sr, Ba and Cd arsenates with the apatite-type structure", pages = "I86-I82", volume = "64", doi = "10.1107/S0108270108023457", url = "conv_549" }
Đorđević, T., Sutović, S., Stojanović, J.,& Karanović, L.. (2008). Sr, Ba and Cd arsenates with the apatite-type structure. in Acta Crystallographica Section C-Crystal Structure Communications Wiley-Blackwell, Malden., 64, I82-I86. https://doi.org/10.1107/S0108270108023457 conv_549
Đorđević T, Sutović S, Stojanović J, Karanović L. Sr, Ba and Cd arsenates with the apatite-type structure. in Acta Crystallographica Section C-Crystal Structure Communications. 2008;64:I82-I86. doi:10.1107/S0108270108023457 conv_549 .
Đorđević, Tamara, Sutović, Sabina, Stojanović, Jovica, Karanović, Ljiljana, "Sr, Ba and Cd arsenates with the apatite-type structure" in Acta Crystallographica Section C-Crystal Structure Communications, 64 (2008):I82-I86, https://doi.org/10.1107/S0108270108023457 ., conv_549 .