CRYSTAL CHEMISTRY AND TOPOLOGY OF TWO FLUX-GROWN YTTRIUM SILICATES, BaKYSi2O7 AND Cs3YSi8O19

Kolitsch, Uwe; Wierzbicka‐Wieczorek, Maria; Тиллманнс, Е.

doi:10.3749/canmin.47.2.421

Cited by 33 publications

(24 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The compound KSrScSi 2 O 7 is isotypic with KBaYSi 2 O 7 (Kolitsch et al 2006c(Kolitsch et al , 2009) and KBaREESi 2 O 7 (REE = Yb, Sc) (Wierzbicka-Wieczorek 2007). The framework structure of tetrahedra and octahedra (Fig.…”

Section: Ksrscsi 2 Omentioning

confidence: 97%

“…Comparing the topologies of these compounds shows that K 2 CdP 2 O 7 features only one K and one P site, whereas Na 2 CaP 2 O 7 and K 2 CaAs 2 O 7 have two non-equivalent Na,K and P,As sites. For more details and additional comparative figures, the reader is referred to Kolitsch et al (2009). Among the numerous phosphates, Hamady & Jouini (1996) described the crystal structure of NaYP 2 O 7 (space group P2 1 ), which shows some topological similarities with NaBaScSi 2 O 7 .…”

Section: Comparison With Related Structuresmentioning

confidence: 98%

“…2) and isotypic KBaREESi 2 O 7 (REE = Y, Yb, Sc) (Wierzbicka-Wieczorek 2007, Kolitsch et al 2009). The asymmetric unit of NaBaScSi 2 O 7 contains one Ba, one Na, one Sc, two Si and five O atoms.…”

Section: Nabascsi 2 Omentioning

confidence: 99%

“…The crystal structures of NaBaScSi 2 O 7 and RbBaScSi 3 O 9 were solved using direct methods (SHELXS-97, Sheldrick 2008). The atomic coordinates of KBaYSi 2 O 7 (Kolitsch et al 2009) were used as a starting model for the refinement of isotypic KSrScSi 2 O 7 . Final atomic coordinates and displacement parameters were refined by full-matrix least-squares techniques on F 2 using SHELXL-97 (Sheldrick 2008).…”

Section: Synthesis and Physicochemical Characterizationmentioning

confidence: 99%

See 3 more Smart Citations

The Crystal Structures of Three New Complex Silicates of Scandium

Wierzbicka‐Wieczorek

Kolitsch

Тиллманнс

2010

The Canadian Mineralogist

Self Cite

View full text Add to dashboard Cite

Three new scandium silicates with framework structures made of octahedra and tetrahedra, KSrScSi 2 O 7 , NaBaScSi 2 O 7 and RbBaScSi 3 O 9 , were obtained through a high-temperature flux-growth technique. Their crystal structures have been determined from single-crystal intensity data (MoKa radiation, CCD area detector, 293 K; R(F) = 3.30, 1.82, 2.00%, respectively). The disilicate KSrScSi 2 O 7 is monoclinic, P2 1 /n, with a 9.446(2), b 5.478(1), c 12.537(3) Å, b 104.39(3)°, V 628.4(2) Å 3 , Z = 4. The disilicate NaBaScSi 2 O 7 forms monoclinic crystals with space-group symmetry P2 1 /m, with a 6.845(1), b 5.626(1), c 8.819(2) Å, b 109.33(3)°, V 320.47(10) Å 3 , Z = 2. The cyclosilicate RbBaScSi 3 O 9 crystallizes as pseudohexagonal triplets; it is also monoclinic, P2 1 /n, with a 6.957(1), b 10.199(2), c 11.881(2) Å, b 90.07(3)°, V 843.0(2) Å 3 , Z = 4. The topologies of KSrScSi 2 O 7 and NaBaScSi 2 O 7 show clear similarities, corresponding to isolated Si 2 O 7 groups, bound to octahedrally coordinated Sc 3+ . The pseudohexagonal arrangement in RbBaScSi 3 O 9 is based on isolated ScO 6 octahedra, each of which is corner-linked to Si 3 O 9 rings. In all three compounds, the alkali and alkaline-earth atoms occupy voids in the resulting three-dimensional frameworks. Results of a Raman spectroscopic study of the two disilicates and of five related novel disilicates are also briefly presented, with a focus on the behavior of the Si 2 O 7 group. SOMMairENous avons synthétisé trois nouveaux tectosilicates de scandium, KSrScSi 2 O 7 , NaBaScSi 2 O 7 et RbBaScSi 3 O 9 , ayant des structures construites d'octaèdres et de tétraèdres, en utilisant un fondant à température élevée. Leurs structures cristallines ont été établies par diffraction X sur monocristal [rayonnement MoKa, détecteur à aire CCD, 293 K; R(F) = 3.30, 1.82, 2.00%, respectivement]. Le disilicate KSrScSi 2 O 7 est monoclinique, P2 1 /n, avec a 9.446(2), b 5.478(1), c 12.537(3) Å, b 104.39(3)°, V 628.4(2) Å 3 , Z = 4. Le disilicate NaBaScSi 2 O 7 se présente en cristaux monocliniques ayant une symétrie P2 1 /m, avec a 6.845(1), b 5.626(1), c 8.819(2) Å, b 109.33(3)°, V 320.47(10) Å 3 , Z = 2. Le cyclosilicate RbBaScSi 3 O 9 crystallise sous forme de triplets pseudohexagonaux; il est aussi monoclinique, P2 1 /n, avec a 6.957(1), b 10.199(2), c 11.881(2) Å, b 90.07(3)°, V 843.0(2) Å 3 , Z = 4. Les topologies de KSrScSi 2 O 7 et de NaBaScSi 2 O 7 montrent des ressemblances évidentes, correspondant à des groupes Si 2 O 7 isolés liés au Sc 3+ à coordinence octaédrique. L'agencement pseudohexagonal dans le composé RbBaScSi 3 O 9 est fondé sur les octaèdres ScO 6 isolés, chacun étant lié par coins pour former des anneaux Si 3 O 9 . Dans les trois composés, les alcalins et les alcalino-terreux sont situés dans des trous dans la charpente tridimensionnelle qui en résulte. Les résultats d'une étude des spectres Raman de deux des silicates ainsi que de cinq nouveaux disilicates sont aussi brièvement passés sous revue, avec emphase sur le comportement du groupe Si 2 O ...

show abstract

Section: Ksrscsi 2 Omentioning

confidence: 97%

Section: Comparison With Related Structuresmentioning

confidence: 98%

Section: Nabascsi 2 Omentioning

confidence: 99%

Section: Synthesis and Physicochemical Characterizationmentioning

confidence: 99%

See 2 more Smart Citations

The Crystal Structures of Three New Complex Silicates of Scandium

Wierzbicka‐Wieczorek

Kolitsch

Тиллманнс

2010

The Canadian Mineralogist

Self Cite

View full text Add to dashboard Cite

show abstract

“…For junitoite-related minerals and compounds, see: Lin et al (1999);Fleet & Liu (2001); Kolitsch et al (2009);Yang et al (2012). Parameters for bond-valence calculations were taken from Brese & O'Keeffe (1991).…”

Section: Related Literaturementioning

confidence: 99%

Redetermination of junitoite, CaZn₂Si₂O₇·H₂O

Yang¹,

Jenkins²,

Downs³

2012

Acta Cryst E

View full text Add to dashboard Cite

The crystal structure of the mineral junitoite, ideally CaZn2Si2O7·H2O (calcium dizinc disilicate monohydrate), was first determined by Hamilton & Finney [Mineral. Mag. (1985), 49, 91–95] based on the space group Ama2, yielding a reliability factor R of 0.10, with isotropic displacement parameters for all non-H atoms. The present study reports a structure redetermination of junitoite using single-crystal X-ray diffraction data from a natural sample, demonstrating that the space group of this mineral is actually Aea2, which can be attained simply by shifting the origin. Topologically, the structure models in the space groups Aea2 and Ama2 are analogous, consisting of chains of corner-sharing ZnO4 tetrahedra parallel to the b axis, cross-linked by Si2O7 tetrahedral dimers (the site symmetry of the bridging O atom is ..2) along a and c, forming a three-dimensional framework. The Ca2+ cations (site symmetry ..2) are situated in cavities of the framework and are bonded to five O atoms and one H2O molecule (site symmetry ..2) in a distorted octahedral coordination environment. However, some bond lengths, especially for the SiO4 tetrahedron, are noticeably different between the two structure models. Hydrogen bonding in junitoite is found between the water molecule and a framework O atom.

show abstract

Crystallographic and Spectroscopic Investigations on Nine Metal–Rare‐Earth Silicates with the Apatite Structure Type

et al. 2015

View full text Add to dashboard Cite

Nine silicates with the apatite structure type (space group P6 3 /m) containing both rare-earth elements (REEs: Pr, Nd, Sm, Tb, Ho and Er) and various metals (K, Sr, Ba and Cd) were synthesised by high-temperature flux-growth techniques and characterised by single-crystal X-ray diffraction, scanning electron microscopy, Raman spectroscopy and laser-induced photoluminescence spectroscopy. In all of the compounds, the 6h Wyckoff position is predominantly or solely occupied by REE 3+ cations, whereas the cations shows a mixed occupancy at the larger, nine-coordinate 4f site with 55-75 % of REE 3+ cations and 45-25 % of other metal cations. The O4 ("free" oxygen) site is fully occupied by O 2anions, [a] . Changes in the metaprism twist angle (φ) and correlations between the unit-cell parameters, average cationic radii (of M + /M 2+ -REE 3+ pairs) and the chemistry of both the synthesised M + /M 2+ -REE 3+ silicate apatites and those reported previously are evaluated. Photoluminescence measurements of undoped samples yielded emission bands in the visible region from green to red; therefore, these compounds are potential candidates for luminescent materials.

show abstract

CRYSTAL CHEMISTRY AND TOPOLOGY OF TWO FLUX-GROWN YTTRIUM SILICATES, BaKYSi2O7 AND Cs3YSi8O19

Cited by 33 publications

References 25 publications

The Crystal Structures of Three New Complex Silicates of Scandium

The Crystal Structures of Three New Complex Silicates of Scandium

Redetermination of junitoite, CaZn₂Si₂O₇·H₂O

Crystallographic and Spectroscopic Investigations on Nine Metal–Rare‐Earth Silicates with the Apatite Structure Type

Contact Info

Product

Resources

About

CRYSTAL CHEMISTRY AND TOPOLOGY OF TWO FLUX-GROWN YTTRIUM SILICATES, BaKYSi2O7 AND Cs3YSi8O19

Cited by 33 publications

References 25 publications

The Crystal Structures of Three New Complex Silicates of Scandium

The Crystal Structures of Three New Complex Silicates of Scandium

Redetermination of junitoite, CaZn2Si2O7·H2O

Crystallographic and Spectroscopic Investigations on Nine Metal–Rare‐Earth Silicates with the Apatite Structure Type

Contact Info

Product

Resources

About

Redetermination of junitoite, CaZn₂Si₂O₇·H₂O