Ferri-fluoro-katophorite from Bear Lake diggings, Bancroft area, Ontario, Canada: a new species of amphibole, ideally Na(NaCa)(Mg4Fe3+)(Si7Al)O22F2

2018 ◽  
Vol 83 (03) ◽  
pp. 413-417
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Neil A. Ball ◽  
Robert F. Martin
Keyword(s):  
Microprobe Analysis ◽  
Structure Refinement ◽  
X Ray ◽  
International Mineralogical Association ◽  
Cell Parameters ◽  
Low Viscosity ◽  
Bear Lake ◽  
Sodium Calcium ◽  
Crustal Origin ◽  
A New Species

AbstractFerri-fluoro-katophorite is the second species characterised involving the rootname katophorite in the sodium–calcium subgroup of the amphibole supergroup. The mineral and its name were approved by the International Mineralogical Association Commission on New Minerals, Nomenclature and Classification, IMA2015-096. It was found in the Bear Lake diggings, Bancroft area, Ontario, Canada, where coarse euhedral crystals of amphibole, phlogopite, sanidine solid-solution (now coarsely exsolved to microcline perthite), titanite, augite, zircon and fluorapatite crystallised from a low-viscosity silicocarbonatitic magma of crustal origin. Greenish grey prismatic crystals of ferri-fluoro-katophorite generally protrude from the walls into a body of coarsely crystalline calcite, but they also occur away from the walls, completely enclosed by calcite. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is: A(Na0.55K0.32)Σ0.87B(Na0.79Ca1.18Mn2+0.03)Σ2.00C(Mg3.29Mn2+0.02Fe2+1.19Fe3+0.31Al0.09Ti4+0.08Li0.02)Σ5.00T(Si7.39Al0.61)Σ8.00O22W[F1.23 (OH)0.77]Σ2.00. Ferri-fluoro-katophorite is biaxial (–), with α = 1.640(2), β = 1.652(2), γ = 1.658(2), 2Vmeas. = 68.9(2)° and 2Vcalc.. = 70.1°. The unit-cell parameters are a = 9.887(3), b = 18.023(9), c = 5.292(2) Å, β = 104.66(3)°, V = 912.3(6) Å3, Z = 2 and space group C2/m. The strongest ten lines in the powder X-ray pattern [d values (in Å) I (hkl)] are: 2.708, 100, (151); 2.388, 74, (131); 3.139, 72, (310); 8.449, 69, (110); 2.540, 65, ($\bar{2}$02); 2.591, 53, (061); 2.739, 47, ($\bar{3}$31); 2.165, 45, (261); 3.279, 44, ($\bar{2}$40); 2.341, 43, ($\bar{3}$51).

Potassic-jeanlouisite from Leucite Hill, Wyoming, USA, ideally K(NaCa)(Mg4Ti)Si8O22O2: the first species of oxo amphibole in the sodium–calcium subgroup

2019 ◽  
Vol 83 (4) ◽  
pp. 587-593
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Giancarlo Della Ventura ◽  
Gunnar Färber
Keyword(s):  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
International Mineralogical Association ◽  
Cell Parameters ◽  
Mineralogical Association ◽  
Sodium Calcium

AbstractPotassic-jeanlouisite, ideally K(NaCa)(Mg4Ti)Si8O22O2, is the first characterised species of oxo amphibole related to the sodium–calcium group, and derives from potassic richterite via the coupled exchange CMg–1W${\rm OH}_{{\rm \ndash 2}}^{\ndash}{} ^{\rm C}{\rm Ti}_1^{{\rm 4 +}} {} ^{\rm W}\!{\rm O}_2^{2\ndash} $. The mineral and the mineral name were approved by the International Mineralogical Association Commission on New Minerals, Nomenclature and Classification, IMA2018-050. Potassic-jeanlouisite was found in a specimen of leucite which is found in the lava layers, collected in the active gravel quarry on Zirkle Mesa, Leucite Hills, Wyoming, USA. It occurs as pale yellow to colourless acicular crystals in small vugs. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is: A(K0.84Na0.16)Σ1.00B(Ca0.93Na1.02Mg0.04${\rm Mn}_{{\rm 0}{\rm. 01}}^{2 +} $)Σ2.00C(Mg3.85${\rm Fe}_{{\rm 0}{\rm. 16}}^{2 +} $Ni0.01${\rm Fe}_{{\rm 0}{\rm. 33}}^{3 +} {\rm V}_{{\rm 0}{\rm. 01}}^{3 +} $Ti0.65)Σ5.01T(Si7.76Al0.09Ti0.15)Σ8.00O22W[O1.53F0.47]Σ2.00. The holotype crystal is biaxial (–), with α = 1.674(2), β = 1.688(2), γ = 1.698(2), 2Vmeas. = 79(1)° and 2Vcalc. = 79.8°. The unit-cell parameters are a = 9.9372(10), b = 18.010(2), c = 5.2808(5) Å, β = 104.955(2)°, V = 913.1(2) Å3, Z = 2 and space group C2/m. The strongest eight reflections in the powder X-ray pattern [d values (in Å) (I) (hkl)] are: 2.703 (100) (151); 3.380 (87) (131); 2.541 (80) ($\bar 2$02); 3.151 (70) (310); 3.284 (68) (240); 8.472 (59) (110); 2.587 (52) (061); 2.945 (50) (221,$\bar 1$51).

Clino-suenoite, a newly approved magnesium-iron-manganese amphibole from Valmalenco, Sondrio, Italy

2018 ◽  
Vol 82 (1) ◽  
pp. 189-198
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Marco E. Ciriotti ◽  
Olav Revheim ◽  
...  
Keyword(s):  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Refinement ◽  
Type Specimen ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Iron Manganese

ABSTRACTClino-suenoite, ideally □${\rm Mn}_{2}^{2 +} $Mg5Si8O22(OH)2 is a new amphibole of the magnesium-iron-manganese subgroup of the amphibole supergroup. The type specimen was found at the Lower Scerscen Glacier, Valmalenco, Sondrio, Italy, where it occurs in Mn-rich quartzite erratics containing braunite, rhodonite, spessartine, carbonates and various accessory minerals. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is: ANa0.04B(${\rm Mn}_{1.58}^{2 +} $Ca0.26Na0.16)Σ2.00C(Mg4.21${\rm Mn}_{0. 61}^{2 +} {\rm Fe}_{0.04}^{2 +} $Zn0.01Ni0.01${\rm Fe}_{0.08}^{3 +} $Al0.04)Σ5.00TSi8.00O22W[(OH1.94F0.06)]Σ=2.00. Clino-suenoite is biaxial (+), with α = 1.632(2), β = 1.644(2), γ = 1.664(2) and 2Vmeas. = 78(2)° and 2Vcalc. = 76.3°. The unit-cell parameters in the C2/m space group are a = 9.6128(11), b = 18.073(2), c = 5.3073(6) Å, β = 102.825(2)° and V = 899.1(2) Å3 with Z = 2. The strongest ten reflections in the powder X-ray diffraction pattern [d (in Å), I, (hkl)] are: 2.728, 100, (151); 2.513, 77, ($\bar 2$02); 3.079, 62, (310); 8.321, 60, (110); 3.421, 54, (131); 2.603, 42, (061); 2.175, 42, (261); 3.253, 41, (240); 2.969, 40, (221); 9.036, 40, (020).

Magnesio-riebeckite from the Varenche mine (Aosta Valley, Italy): crystal-chemical characterization of a grandfathered end-member

2017 ◽  
Vol 81 (6) ◽  
pp. 1431-1437 ◽  
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Marco E. Ciriotti
Keyword(s):  
Crystal Structure ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Refinement ◽  
Chemical Characterization ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
D Values

AbstractMagnesio-riebeckite from the dumps of the abandoned mine of Varenche (45°47’22’’ N, 7°29’17’’ E), Saint-Barthélemy, Nus, Aosta Valley (Italy), was studied to provide the complete mineral description (including crystal structure) and insights into the crystal-chemistry of riebeckite. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is A(Na0.09K0.01)Σ=0.10B(Na1.77Ca0.11Mg0.08Mn2+ 0:04)Σ=2.00C(Mg2.93Mn2+0:13Fe2+0:07Zn0.01Ni0.12Fe3+1:25Al0.48Ti0.01)Σ=5.00T(Si7.92Al0.08)Σ=8.00 O22W(OH1.88F0.12)Σ=2.00. Magnesio-riebeckite is biaxial (+), with α = 1.678(2), β = 1.682(2), γ = 1.688(2) and 2V (meas.) = 80.2(1.7)°, 2V (calc.) = 78.7°. The unit-cell parameters are a = 9.6481(14), b = 17.873(3), c = 5.3013(7) Å, β = 103.630(2)°, V = 888.4 (2)Å3, Z = 2, space group C2/m. The strongest ten reflections in the powder X-ray pattern [d values (in Å), I, (hkl)] are: 2.701, 100, (151); 8.303, 83, (110); 3.079, 62, (310); 3.391, 53, (131); 4.467, 50, (040,021); 2.522, 50, (̅202); 2.578, 35, (061); 2.155, 30, (261), 4.855, 30, (̅111), 2.300, 29, (̅351).

Magnesio-hornblende from Lüderitz, Namibia: mineral description and crystal chemistry

2018 ◽  
Vol 82 (6) ◽  
pp. 1253-1259
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Marco E. Ciriotti
Keyword(s):  
Crystal Structure ◽  
Electron Microprobe ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Structure Refinement ◽  
Sand Dunes ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

ABSTRACTMagnesio-hornblende (IMA2017-059) has been characterized in a specimen collected in the sand dunes of Lüderitz, Karas Region, Namibia. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement is A(□0.73Na0.22K0.05)Σ1.00B(Ca1.79Fe2+0.10Mg0.04Mn2+0.03Na0.04)Σ2.00C(Mg3.48Fe2+0.97Al0.28Fe3+0.23Cr3+0.01Ti0.03)Σ5.00T(Si7.18Al0.82)Σ8.00O22W[(OH)1.93F0.05Cl0.02]Σ2.00. Magnesio-hornblende is biaxial (–), with α = 1.640(2), β = 1.654(2), γ = 1.666(2) (measured with gel-filtered Na light, λ = 589.9 nm), 2V (meas.) = 82(1)° and 2V (calc.) = 84.9°. The unit-cell parameters are a = 9.8308(7), b = 18.0659(11), c = 5.2968(4) Å, β = 104.771(6)° and V = 909.64 (11) Å3 with Z = 2 and space group C2/m. The strongest eight reflections in the X-ray powder pattern [d values (in Å), I, (hkl)] are: 2.709, 100, (151); 8.412, 74, (110); 3.121, 73, (310); 2.541, 58, ($\bar{2}$02); 3.386, 49, (131); 2.596, 45, (061); 2.338, 41, ($\bar{3}$51); and 2.164, 39, (261).

scholarly journals Ferro-ferri-hornblende from the Traversella mine (Ivrea, Italy): occurrence, mineral description and crystal-chemistry

2016 ◽  
Vol 80 (7) ◽  
pp. 1233-1242 ◽  
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Neil A. Ball ◽  
Fernando Cámara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Rock Specimen ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Wide Range

AbstractFerro-ferri-hornblende is a new member of the amphibole supergroup (IMA-CNMNC 2015-054). It has been found in a rock specimen from the historical collection of Leandro De Magistris, which was collected at the Traversella mine (Val Chiusella, Ivrea, Piemonte, Italy). The specimen was catalogued as ‘speziaite', and contains a wide range of amphibole compositions from tremolite/actinolite to magnesio-hastingsite. The end-member formula of ferro-ferri-hornblende is A□BCa2c(Fe+Fe3+)T(Si7Al) O22W(OH)2 , which requires SiO2 43.41, Al2O3 5.26, FeO 29.66, Fe2O3 8.24 CaO 11.57, H2O 1.86, total 100.00 wt.%. The empirical formula derived from electron microprobe analysis and single-crystal structure refinement for the holotype crystal is A(Na0.10K0.13) Σ=0.23B(Ca 1.93Na0.07)Σ=2.00C(Mg1.16Fe2+3.21Mn0.O6Fe3+0.45 Al0.12Ti 0.01)Σ=5.01T(Si7.26Al0. 74)Σ=8.00 O22W(OH1.89F0.01C10.10)Σ=2.00- Ferro-ferri-hornblende is biaxial (-), with α = 1.697(2), P = 1 .722(5), γ = 1.726(5) and 2V (meas.) = 35.7(1.4)°, 2V (calc.) = 43.1°. The unit-cell parameters are a = 9.9307(5), b = 18.2232(10), c = 5.3190(3) Å, β = 104.857(1)°, V= 930.40 (9) Å3, Z= 2, space group C2/m. The a:b:c ratio is 0.545:1:0.292. The strongest eight reflections in the powder X-ray pattern [d values (in Å), I, (hkl)] are: 8.493, 100, (110); 2.728, 69, (151); 3.151, 47, (310); 2.555, 37, (); 2.615, 32, (061); 2.359, 28, (); 3.406, 26, (131); 2.180, 25, (261). Type material is deposited in the collections of the Museo di Mineralogia, Dipartimento di Scienze della Terra e dell'Ambiente, Università di Pavia, under the catalogue number 2015-01. Sample M/U15285 from the historical collection of Luigi Colomba, presently at the Museo Regionale di Scienze Naturali di Torino, was also checked, and the presence of ferro-ferri-hornblende was confirmed.

Katophorite from the Jade Mine Tract, Myanmar: mineral description of a rare (grandfathered) endmember of the amphibole supergroup

2015 ◽  
Vol 79 (2) ◽  
pp. 355-363 ◽  
Author(s):  
Roberta Oberti ◽  
Massimo Boiocchi ◽  
Frank C. Hawthorne ◽  
Neil A. Ball ◽  
George E. Harlow
Keyword(s):  
Microprobe Analysis ◽  
Structure Refinement ◽  
Polarized Light ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
X Ray ◽  
International Mineralogical Association ◽  
Compositional Field ◽  
The Ideal

AbstractKatophorite has the ideal formula ANaB(NaCa)C(Mg4Al)T(Si7Al)O22W(OH)2 (Hawthorne et al., 2012). No published analyses of amphiboles fall in the katophorite compositional field, except that of Harlow and Olds (1987) for an amphibole from near Hpakan in the Jade Mine Tract, Myanmar. This amphibole was approved by the International Mineralogical Association Commission on New Minerals, Nomenclature and Classification (vote 2013-140) as katophorite, and is reported here. Holotype katophorite is monoclinic, space group C2/m, a = 9.8573(8), b = 17.9617(15), c = 5.2833(4) Å, β = 104.707(2)°, V = 904.78(13) Å3, Z = 2. The calculated density is 3.091 g cm–3. In plane-polarized light, katophorite is pleochroic, X = pale blue (medium), Y = light blue-green (strongest), Z = colourless; X ∧ a = 30.6° (β obtuse), Y || b, Z ∧ c = 15.8 (β acute). It is biaxial negative, α = 1.638, β = 1.642, γ = 1.644, all ± 0.002; 2Vobs = 73(1)°, 2Vcalc = 70°. The eight strongest lines in the powder X-ray diffraction pattern are [d in Å (I)(hkl)]: 2.700 (100)(151), 3.129 (69)(310), 2.536 (65)(202), 3.378 (61)(131), 8.421 (55)(110), 2.583 (46)(061), 2.942 (43)(221) and 2.334 (41)(351). Electron-microprobe analysis of the refined crystal gave SiO251.74, Al2O37.38, TiO2 0.14, FeO 1.55, Fe2O3 2.82, MgO 18.09, CaO 8.17, Na2O 6.02, K2O 0.24, F 0.06, H2Ocalc. 1.80, Li2Ocalc. 0.09, sum 100.55 wt.% (Li2O and H2O based on the results of single-crystal structure refinement). The formula unit, calculated on the basis of 24 (O,OH,F) with (OH + F + O) = 2 is: A(Na0.85K0.04)Σ=0.89B(Ca1.22Na0.78)Σ=2.00C(Mg3.76Al0.43Fe0.303+Cr0.273+Fe0.182+Li0.05Ti0.014+)Σ=5.00T(Si7.21Al0.79)Σ=8.00O22W[(OH)1.67O0.30F0.03)]Σ=2.00.

Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley

2016 ◽  
Vol 72 (5) ◽  
pp. 744-752 ◽  
Author(s):  
Sergey M. Aksenov ◽  
Nikita V. Chukanov ◽  
Vyacheslav S. Rusakov ◽  
Taras L. Panikorovskii ◽  
Ramiza K. Rastsvetaeva ◽  
...  
Keyword(s):  
Octahedral Site ◽  
Structure Refinement ◽  
Optical Measurements ◽  
Transition Elements ◽  
X Ray ◽  
Cell Parameters ◽  
Tetragonal Unit Cell ◽  
Northern Areas ◽  
Shigar Valley

Vesuvianite containing 5.85 wt% TiO2from an Alpine-cleft-type assemblage outcropped near Alchuri, Shigar Valley, Northern Areas, has been investigated by means of electron microprobe analyses, gas-chromatographic analysis of H2O, X-ray powder diffraction, single-crystal X-ray structure refinement,27Al NMR,57Fe Mössbauer spectroscopy, IR spectroscopy and optical measurements. Tetragonal unit-cell parameters are:a= 15.5326 (2),c= 11.8040 (2) Å, space groupP4/nnc. The structure was refined to finalR1= 0.031,wR2= 0.057 for 11247I> 2σ(I). A general crystal-chemical formula of studied sample can be written as follows (Z= 2):[8–9](Ca17.1Na0.9)[8]Ca1.0[5](Fe2+0.44Fe3+0.34Mg0.22)[6](Al3.59Mg0.41)[6](Al4.03Ti2.20Fe3+1.37Fe2+0.40) (Si18O68) [(OH)5.84O2.83F1.33]. The octahedral siteY2 is Al-dominant and does not contain transition elements. Another octahedral siteY3 is also Al-dominant and contains Fe2+, Fe3+and Ti. The siteY1 is split intoY1aandY1bpredominantly occupied by Fe2+and Fe3+, respectively. The role of theY1 site in the diversity of vesuvianite-group minerals is discussed.

Arrheniusite-(Ce), CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11, a New Member of the Vicanite Group, from the Östanmossa Mine, Norberg, Sweden

2021 ◽  
Author(s):  
Dan Holtstam ◽  
Luca Bindi ◽  
Paola Bonazzi ◽  
Hans-Jürgen Förster ◽  
Ulf B. Andersson
Keyword(s):  
Structure Refinement ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Epma Data ◽  
X Ray ◽  
Cell Parameters ◽  
Greenish Yellow ◽  
The Ideal

ABSTRACT Arrheniusite-(Ce) is a new mineral (IMA 2019-086) from the Östanmossa mine, one of the Bastnäs-type deposits in the Bergslagen ore region, Sweden. It occurs in a metasomatic F-rich skarn, associated with dolomite, tremolite, talc, magnetite, calcite, pyrite, dollaseite-(Ce), parisite-(Ce), bastnäsite-(Ce), fluorbritholite-(Ce), and gadolinite-(Nd). Arrheniusite-(Ce) forms anhedral, greenish-yellow translucent grains, exceptionally up to 0.8 mm in diameter. It is optically uniaxial (–), with ω = 1.750(5), ε = 1.725(5), and non-pleochroic in thin section. The calculated density is 4.78(1) g/cm3. Arrheniusite-(Ce) is trigonal, space group R3m, with unit-cell parameters a = 10.8082(3) Å, c = 27.5196(9) Å, and V = 2784.07(14) Å3 for Z = 3. The crystal structure was refined from X-ray diffraction data to R1 = 3.85% for 2286 observed reflections [Fo > 4σ(Fo)]. The empirical formula for the fragment used for the structural study, based on EPMA data and results from the structure refinement, is: (Ca0.65As3+0.35)Σ1(Mg0.57Fe2+0.30As5+0.10Al0.03)Σ1[(Ce2.24Nd2.13La0.86Gd0.74Sm0.71Pr0.37)Σ7.05(Y2.76Dy0.26Er0.11Tb0.08Tm0.01Ho0.04Yb0.01)Σ3.27Ca4.14]Σ14.46(SiO4)3[(Si3.26B2.74)Σ6O17.31F0.69][(As5+0.65Si0.22P0.13)Σ1O4](B0.77O3)F11; the ideal formula obtained is CaMg[(Ce7Y3)Ca5](SiO4)3(Si3B3O18)(AsO4)(BO3)F11. Arrheniusite-(Ce) belongs to the vicanite group of minerals and is distinct from other isostructural members mainly by having a Mg-dominant, octahedrally coordinated site (M6); it can be considered a Mg-As analog to hundholmenite-(Y). The threefold coordinated T5 site is partly occupied by B, like in laptevite-(Ce) and vicanite-(Ce). The mineral name honors C.A. Arrhenius (1757–1824), a Swedish officer and chemist, who first discovered gadolinite-(Y) from the famous Ytterby pegmatite quarry.

Crystal structure of potassium tetraperoxomolybdate (VI) K2[Mo(O2)4]

2005 ◽  
Vol 20 (3) ◽  
pp. 203-206 ◽  
Author(s):  
M. Grzywa ◽  
M. Różycka ◽  
W. Łasocha
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Potassium tetraperoxomolybdate (VI) K2[Mo(O2)4] was prepared, and its X-ray powder diffraction pattern was recorded at low temperature (258 K). The unit cell parameters were refined to a=10.7891(2) Å, α=64.925(3)°, space group R−3c (167), Z=6. The compound is isostructural with potassium tetraperoxotungstate (VI) K2[W(O2)4] (Stomberg, 1988). The sample of K2[Mo(O2)4] was characterized by analytical investigations, and the results of crystal structure refinement by Rietveld method are presented; final RP and RWP are 9.79% and 12.37%, respectively.

scholarly journals Redetermination of Sr2PdO3 from single-crystal X-ray data

2019 ◽  
Vol 75 (1) ◽  
pp. 30-32
Author(s):  
Gohil S. Thakur ◽  
Hans Reuter ◽  
Claudia Felser ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Structure Type ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Displacement Parameters

The crystal structure redetermination of Sr2PdO3 (distrontium palladium trioxide) was carried out using high-quality single-crystal X-ray data. The Sr2PdO3 structure has been described previously in at least three reports [Wasel-Nielen & Hoppe (1970). Z. Anorg. Allg. Chem. 375, 209–213; Muller & Roy (1971). Adv. Chem. Ser. 98, 28–38; Nagata et al. (2002). J. Alloys Compd. 346, 50–56], all based on powder X-ray diffraction data. The current structure refinement of Sr2PdO3, as compared to previous powder data refinements, leads to more precise cell parameters and fractional coordinates, together with anisotropic displacement parameters for all sites. The compound is confirmed to have the orthorhombic Sr2CuO3 structure type (space group Immm) as reported previously. The structure consists of infinite chains of corner-sharing PdO4 plaquettes interspersed by SrII atoms. A brief comparison of Sr2PdO3 with the related K2NiF4 structure type is given.

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