Pyrolysis Products of Bi2(SO4)3. II. Crystal Structure of Bi2O(SO4)2.

Aurivillius, Bengt; Karen, Pavel; Kjekshus, Arne; Vicentini, G.; Zinner, L.B.; Lehrich, F.; Nielsen, Claus J.; Powell, D. L.; Trætteberg, M.

doi:10.3891/acta.chem.scand.42a-0095

Cited by 17 publications

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“…m i n e r s o c . o r g / p a g e s / e _ j o u r n a l s / dep_mat_mm.html), respectively, in comparison with those of similar coordination types in the monoclinic structure of the synthetic Bi 2 O(SO 4 ) 2 (Aurivillius 1988). The structure factors and CIF file for the balićžunićite crystal structure have been deposited with the Principal Editor of Mineralogical Magazine and are available from w w w .…”

Section: Methodsmentioning

confidence: 99%

“…These types of asymmetrical coordination are common in Bi 3+ compounds and indicate the presence of stereochemically active 6sp 2 lone-pair electrons (Aurivillius, 1988, and reference therein).…”

Section: Coordination Polyhedramentioning

confidence: 96%

“…Bismuth atoms in the structure of balićžunićite are characterized by asymmetric, one-sided coordination (Table 3 and (Aurivillius, 1988). (3) 3.590(1)* Bi(4)ÀBi (6) 5.082 (1) Bi (1)ÀBi (2) 3.801(5)** Bi (3)ÀBi (4) 3.839(5)** Bi(1)ÀBi(2) 3.893(1)* Bi(2)ÀBi (5) 3.912(1)* Bi(4)ÀBi (4) 5.166 (1) Bi (1)ÀBi (3) 3.808(4)** Bi (3)ÀBi (4) 4.960 (4) Bi(1)ÀBi(6) 4.542 (1) Bi (2)ÀBi (2) 5.140 (1) Bi (4)ÀBi (4) 5.322 (1) Bi (1)ÀBi (5) 4.597 (4) Bi (4)ÀBi (4) 4.611 (6) Bi(1)ÀBi(2) 4.695 (1) Bi (3)ÀBi (4) 3.969(1)* Bi(4)ÀBi (5) 5.452 (1) Bi (2)ÀBi (3) 3.495 (5) Bi (5)ÀBi (6) 3.798(4)**…”

Section: Coordination Polyhedramentioning

confidence: 99%

“…Including the latter, the coordination of Bi(3) and Bi(4) can be described as a distorted pentagonal bipyramid with the axis of the pyramid parallel to [100]. The volume distortions for the Bi(3) and Bi(4) coordinations compared to the ideal pentagonal bipyramid are 9% and 25%, respectively ( (Aurivillius, 1988 Bismuth atoms belonging to the third group are Bi(1) and Bi(5), which are located at the ends of the larger base of the Bi 5 trapezoids. These Bi atoms are bonded to one oxo oxygen at 2.08 and 2.09 Å , respectively, and an additional four sulfate oxygens at distances of 2.28 to 2.49 Å .…”

Section: Coordination Polyhedramentioning

confidence: 99%

“…The detailed investigation of the balićžunićite crystal structure performed in the present study and its comparison with the monoclinic hightemperature polymorph investigated by Aurivillius (1988) give some insight into structural features and relationships among the lowand high-temperature form of Bi 2 O(SO 4 ) 2 , clarifying the nature of the phase transition.…”

Section: Introductionmentioning

confidence: 98%

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The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate

2015

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The crystal structure of balićžunićite, Bi 2 O(SO 4 ) 2 , a new mineral species from the La Fossa crater of Vulcano (Aeolian Islands, Italy), was solved from single-crystal X-ray diffraction data and refined to R = 0.0507. The structure is triclinic, space group P1, with a = 6.7386(3), b = 11.1844(5), c = 14.1754(7) Å , a = 80.082(2), b = 88.462(2)º, g = 89.517(2)º, V = 1052.01(8) Å 3 and Z = 6. The crystal structure consists of six independent Bi sites, six S sites and 27 O sites of which three are oxo oxygen atoms not bonded to sulfur. Bismuth and S atoms are arranged close to a eutectic pattern parallel to the (100) plane. The planes are stacked atom on atom such that Bi always overlays S and vice versa. This structural feature is shared with the known structure of the high-temperature polymorph of the same compound, stable at T >535 o C. However, the sequences of Bi and S atoms in the two structures are different and so are the arrangements of oxygen atoms. Characteristic building blocks in the structure of balićžunićite are clusters of five Bi atoms which form nearly planar trapezoidal Bi 5 groups with oxo oxygens located in the centres of the three Bi 3 triangles, which form the trapezoids. The trapezoidal Bi 5 O 3 9+ ions are joined along [100] with SO 4 2À groups by means of strong bismuth-sulfate oxygen bonds, forming infinite [100] rods with composition Bi 5 O 3 (SO 4 ) 5 À . One sixth of the Bi atoms do not participate in trapezoids, but form, with additional SO 4 2À groups, rows of composition BiSO 4 + , also parallel to [100]. [Bi 5 O 3 (SO 4 ) 5 À ] rods form infinite layers parallel to (010) with [BiSO 4 +] rows located on the irregular surface of contact between adjacent layers. Bi atoms occur in four different coordination types, all showing the stereochemical influence of the Bi 3+ lone electron pair. In this respect the crystal structure of balićžunićite shows greater variability than its high-temperature polymorph which has only two types of the Bi coordination spheres present in balićžunićite.

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Section: Methodsmentioning

confidence: 99%

Section: Coordination Polyhedramentioning

confidence: 96%

Section: Coordination Polyhedramentioning

confidence: 99%

Section: Coordination Polyhedramentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

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The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate

2015

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Die ersten zwei Bismutborosulfate – eines davon enthält Oxonium und ein tektosilicatanaloges Anion

Hämmer

Bayarjargal²,

Höppe

2020

Angewandte Chemie

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The first bismuth borosulfate (H 3 O)Bi[B(SO 4) 2 ] 4 is only the second featuring a three-dimensional anion, the first tectosilicate-analogous borosulfate synthesised solvothermally without a precursor (from Bi(NO 3) 3 •5 H 2 O and B(OH) 3 in oleum); moreover, it is the first comprising two differently charged cations and crystallises in a new structure type in space group I4 (no. 82) (a = 11.857(1), c = 8.149(1) , 1947 refl., 111 param., wR2 = 0.037), confirmed by a second harmonic generation (SHG) measurement. The B(SO 4) 4 supertetrahedra are connected via all four sulfate tetrahedra resulting in a threedimensional anion with both H 3 O + and Bi 3+ cations in channels. Additionally, the crystal structure of a further bismuth borosulfate, Bi 2 [B 2 (SO 4) 6 ], is elucidated crystallising isotypically to the rare-earth borosulfates R 2 [B 2 (SO 4) 6 ] in space group C2/c (No. 15) (a = 13.568(2), b = 11.490(2), c = 11.106(2) , 3127 refl., 155 param., wR2 = 0.035). Moreover, the optical and thermal properties of both compounds are discussed.

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The First Bismuth Borosulfates Comprising Oxonium and a Tectosilicate‐Analogous Anion

2020

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The first bismuth borosulfate (H 3 O)Bi[B(SO 4 ) 2 ] 4 is only the second featuring a three‐dimensional anion, the first tectosilicate‐analogous borosulfate synthesised solvothermally without a precursor (from Bi(NO 3 ) 3 ⋅5 H 2 O and B(OH) 3 in oleum); moreover, it is the first comprising two differently charged cations and crystallises in a new structure type in space group I (no. 82) (a=11.857(1), c=8.149(1) Å, 1947 refl., 111 param., wR2=0.037), confirmed by a second harmonic generation (SHG) measurement. The B(SO 4 ) 4 supertetrahedra are connected via all four sulfate tetrahedra resulting in a three‐dimensional anion with both H 3 O + and Bi 3+ cations in channels. Additionally, the crystal structure of a further bismuth borosulfate, Bi 2 [B 2 (SO 4 ) 6 ], is elucidated crystallising isotypically to the rare‐earth borosulfates R 2 [B 2 (SO 4 ) 6 ] in space group C2/c (No. 15) (a=13.568(2), b=11.490(2), c=11.106(2) Å, 3127 refl., 155 param., wR2=0.035). Moreover, the optical and thermal properties of both compounds are discussed.

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Pyrolysis Products of Bi2(SO4)3. II. Crystal Structure of Bi2O(SO4)2.

Cited by 17 publications

References 0 publications

The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate

The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate

Die ersten zwei Bismutborosulfate – eines davon enthält Oxonium und ein tektosilicatanaloges Anion

The First Bismuth Borosulfates Comprising Oxonium and a Tectosilicate‐Analogous Anion

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Pyrolysis Products of Bi2(SO4)3. II. Crystal Structure of Bi2O(SO4)2.

Cited by 17 publications

References 0 publications

The crystal structure of balićžunićite, Bi2O(SO4)2, a new natural bismuth oxide sulfate

The crystal structure of balićžunićite, Bi2O(SO4)2, a new natural bismuth oxide sulfate

Die ersten zwei Bismutborosulfate – eines davon enthält Oxonium und ein tektosilicatanaloges Anion

The First Bismuth Borosulfates Comprising Oxonium and a Tectosilicate‐Analogous Anion

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Product

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The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate

The crystal structure of balićžunićite, Bi₂O(SO₄)₂, a new natural bismuth oxide sulfate