scholarly journals Crystal structure of a new polymorphic modification of Na2Mn3(SO4)4

2019 ◽  
Vol 234 (11-12) ◽  
pp. 697-705 ◽  
Author(s):  
Hamdi Ben Yahia
Keyword(s):  
Crystal Structure ◽  
Structure Refinement ◽  
Building Blocks ◽  
Polymorphic Modification ◽  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
Reaction Route ◽  
Accurate Comparison ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractThe new polymorph of Na2Mn3(SO4)4 was prepared via solid state reaction route in a powder form and its crystals were grown by self-flux method. The crystal structure was determined from single crystal X-ray diffraction data. This polymorph crystallizes with an orthorhombic symmetry, space group Pbca, with a = 9.8313(4), b = 8.7467(3), c = 29.6004(11) Å, V = 2545.38(17) Å3, Z = 8. Its structure refinement yielded the residual factors R(F) = 0.025 and wR(F2) = 0.065 for 227 parameters and 2605 independent reflections at 2σ(I) level. The use of group-subgroup schemes in the Bärnighausen formalism enabled an accurate comparison of the Pbca- and Cmc 21-polymorphs of Na2Mn3(SO4)4. Both polymorphs contain similar [Mn3(SO4)4]2− building blocks formed of Mn2O11 dimer units and MnO5 trigonal pyramids that are interconnected by sharing corners with the SO4 tetrahedra. However, the stacking of these building blocks along the longest axes of the Pbca- and Cmc 21-structures is different. This induces differences in the coordination of the sodium atoms and in the orientation of the SO4 tetrahedra.

Crystal Structure of the New Phosphate AgMnPO4

2009 ◽  
Vol 64 (7) ◽  
pp. 875-878 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Etienne Gaudin ◽  
Jacques Darriet
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Reaction Route ◽  
X Ray ◽  
Solid State Reaction Route ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Silver Atoms

The new compound AgMnPO4 has been synthesized by a solid-state reaction route. Its crystal structure was determined from single-crystal X-ray diffraction data. AgMnPO4 crystallizes with triclinic symmetry, space group P1̄, a = 9.6710(6), b = 5.695(2), c = 6.629(3) Å , α = 102.55(3), β = 105.85(2), γ = 80.70(2)◦, and Z = 4. Its structure is built up from MnO6, MnO5 and PO4 polyhedra forming tunnels filled with silver atoms.

scholarly journals Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2Nb2TeO10 / On a Barium-Oxoniobate-Tellurate: Ba2Nb2TeO10

1996 ◽  
Vol 51 (10) ◽  
pp. 1407-1410 ◽  
Author(s):  
B. Wedel ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reactions ◽  
Orthorhombic Symmetry ◽  
X Ray ◽  
Lattice Constants ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of Ba2Nb2TeO10) have been prepared by solid state reactions in air. X-ray investigations led to orthorhombic symmetry, space group D152h-Pbca, a = 7.242(4), b = 12.433(3), c = 9.932(3) Å. Z = 4. Nb5+ and Te6+ show octahedral coordination by O2- . The crystal structure is characterized by planes of edge- and corner-sharing NbO6- and TeO6octahedra. It is shown that in spite of nearly identical lattice constants of Ba2Nb2TeO10 with compounds of the composition M0,5BaNbTe2O9 the so far unknown crystals of these substances may not be derived from the Ba2Nb2TeO10 type.

Gemischtvalente Oxovanadate, I Ein neuer Strukturtyp für die Verbindung BaV10O15/Oxovanadates with Mixed Valence, I A New Crystal Structure of BaV10O15

1980 ◽  
Vol 35 (6) ◽  
pp. 669-671 ◽  
Author(s):  
D. Chales de Beaulieu ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Mixed Valence ◽  
Structure Type ◽  
Orthorhombic Symmetry ◽  
Temperature Reaction ◽  
X Ray ◽  
High Temperature Reaction ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract BaV10O15 was prepared by high temperature reaction of BaO and V2O3 in H2-atmosphere (T > 1800°). X-ray investigations of single crystals show a new structure type with octa-hedral coordination of V3+/V2+ (statistical distribution) and cuboctahedral surrounding of Ba2+ . Orthorhombic symmetry, space group D182h-Ccmb, a = 995,8; b = 1161,8; c = 941,0; Z = 4.

Über ein cadmiumreiches Orthovanadat Ba2,5Cd11(VO4)9 mit Cadmium in oktaedrischer und tetragonal pyramidaler Koordination / On a Cadmium Rich Orthovanadate Ba2,5Cd11(VO4)9 Showing Cadmium in Octahedral and Square Pyramidal Coordination

1997 ◽  
Vol 52 (8) ◽  
pp. 989-993 ◽  
Author(s):  
B Mertens ◽  
Hk Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Three Dimensional ◽  
Lattice Energy ◽  
Solid State Reactions ◽  
Orthorhombic Symmetry ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of Ba2,5Cd11(VO4)9 have been prepared by solid state reactions. The new compound crystallizes with orthorhombic symmetry, space group D142h-Pbcn, a = 20.842(6), b = 13.471(3), c = 11.838(9) Å, Z = 4. The crystal structure is characterized and dominated by CdO6 octahedra and unusual square pyramids of O2- around Cd2+ forming a three-dimensional [Cd11O36] network. The interstices are occupied by V5+ and Ba2+ ions. This results in VO4 tetrahedra and irregular BaO10 polyhedra isolated from each other. Occupation of the barium positions is deficient in agreement with the valence state V5+ and calculations of the coulomb terms of lattice energy.

scholarly journals The Crystal Structure and Chemical Properties of U2Al3C4 and Structure Refinement of Al4C3

1995 ◽  
Vol 50 (2) ◽  
pp. 196-200 ◽  
Author(s):  
Thorsten M. Gesing ◽  
Wolfgang Jeitschko
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Refinement ◽  
Chemical Properties ◽  
Variable Parameters ◽  
Higher Symmetry ◽  
Structure Factors ◽  
Hydrolysis Of ◽  
Symmetry Space ◽  
Symmetry Space Group

A well crystallized sample of U2Al3C4 was obtained by melting the elemental components in a carbon crucible in a high frequency furnace. The crystal structure of this compound was determined from single-crystal diffractometer data of a twinned crystal: P63mc, a = 342.2(1) pm. c = 2323.0(3) pm. Z = 2 , R = 0.030 for 537 structure factors and 18 variable parameters. The structure can also be described in the higher symmetry space group P63/mmc with one split aluminum position. It consists of close packed layers of uranium and aluminum atoms with carbon atoms at interstitial sites. The structure is closely related to that of Al4C3, which was refined from single-crystal X-ray data to a residual of R = 0.033 for 135 F-values and 11 variables. The hydrolysis of U2Al3C4 with diluted hydrochloric acid resulted in about 74 (wt-)% methane, 8% ethane and ethylene, and 18% saturated and unsaturated higher hydrocarbons.

Zur Synthese und Kristallstruktur von manganhaltigen Boratoxiden: MnFe(BO3)O und MnAl0,5Yo,5(BO3)O / Synthesis and Crystal Structure of Manganese Borate Oxides: MnFe(BO3)O and MnAl0,5Yo,5(BO3)O

1995 ◽  
Vol 50 (8) ◽  
pp. 1146-1150 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Crystal Structure ◽  
Metal Ions ◽  
Single Crystals ◽  
Orthorhombic Symmetry ◽  
Monoclinic Symmetry ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of the compounds MnFe(BO3)O (I) and MnAl0.5Y0.5(BO3)O (II), were obtained by a B2O3 flux technique. I crystallizes with orthorhombic symmetry, space group D162h -Pnma (Nr.62), a = 939.92; b = 319.41; c = 939.11 pm; Z = 4 and II with monoclinic symmetry, space group C52h-P21/n (Nr. 14). a = 325.6; b = 955.1; c = 929.2 pm; β = 90.70° ; Z = 4. I is isotypic to the mineral Warwickite, while II is a distorded variant of this structure. All metal ions are octahedrally coordinated. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

Schmidite and wildenauerite, two new schoonerite-group minerals from the Hagendorf-Süd pegmatite, Oberpfalz, Bavaria

2018 ◽  
Vol 83 (02) ◽  
pp. 181-190
Author(s):  
Ian E. Grey ◽  
Erich Keck ◽  
Anthony R. Kampf ◽  
John D. Cashion ◽  
Colin M. MacRae ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Tetrahedral Site ◽  
Orthorhombic Symmetry ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Symmetry Space ◽  
Symmetry Space Group

AbstractSchmidite, Zn(Fe3+0.5Mn2+0.5)2ZnFe3+(PO4)3(OH)3(H2O)8 and wildenauerite, Zn(Fe3+0.5Mn2+0.5)2Mn2+Fe3+(PO4)3(OH)3(H2O)8 are two new oxidised schoonerite-group minerals from the Hagendorf-Süd pegmatite, Hagendorf, Oberpfalz, Bavaria, Germany. Schmidite occurs as radiating sprays of orange–brown to copper-red laths on and near to altered phosphophyllite in a corroded triphylite nodule, whereas wildenauerite forms dense compacts of red laths, terminating Zn-bearing rockbridgeite. The minerals are biaxial (+) with α = 1.642(2), β = 1.680(1), γ = 1.735(2) and 2Vmeas = 81.4(8)° for schmidite, and with α = 1.659(3), β = 1.687(3), γ = 1.742(3) and 2Vmeas = 73(1)° for wildenauerite. Electron microprobe analyses, with H2O from thermal analysis and FeO/Fe2O3 from Mössbauer spectroscopy, gave FeO 0.4, MgO 0.3, Fe2O3 23.5, MnO 9.0, ZnO 15.5, P2O5 27.6, H2O 23.3, total 99.6 wt.% for schmidite, and FeO 0.7, MgO 0.3, Fe2O3 25.2, MnO 10.7, ZnO 11.5, P2O5 27.2, H2O 24.5, total 100.1 wt.% for wildenauerite. The empirical formulae, scaled to 3 P and with OH– adjusted for charge balance are Zn1.47Mn2+0.98Mg0.05Fe2+0.04Fe3+2.27(PO4)3(OH)2.89(H2O)8.54 for schmidite and Zn1.11Mn2+1.18Mg0.05Fe2+0.08Fe3+2.47(PO4)3(OH)3.25(H2O)9.03 for wildenauerite. The two minerals have orthorhombic symmetry, space group Pmab and Z = 4. The unit-cell parameters from refinement of powder X-ray diffraction data are a = 11.059(1), b = 25.452(1) and c = 6.427(1) Å for schmidite, and a = 11.082(1), b = 25.498(2) and c = 6.436(1) Å for wildenauerite. The crystal structures of schmidite and wildenauerite differ from that of schoonerite in having minor partitioning of Zn from the [5]Zn site to an adjacent vacant tetrahedral site [4]Zn, separated by ~1.0 Å from [5]Zn. The two minerals are distinguished by the cation occupancies in the octahedral M1 to M3 sites. Schmidite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Zn and wildenauerite has M1 = M2 = (Fe3+0.5Mn2+0.5) and M3 = Mn2+.

Zur Kenntnis eines Barium-Lanthanoid-Oxomanganats(IV, V): Ba3ErMn2O9 / On a Barium Rare-Earth Oxomanganate(IV, V): Ba3ErMn2O9

1994 ◽  
Vol 49 (9) ◽  
pp. 1277-1281 ◽  
Author(s):  
Ch. Rabbow ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
High Temperature ◽  
Metal Oxides ◽  
Single Crystals ◽  
Precious Metal ◽  
Orthorhombic Symmetry ◽  
High Temperature Reactions ◽  
Symmetry Space ◽  
Symmetry Space Group

High temperature reactions of BaCO3/MnO/Er2O3 (3:1:1) led to single crystals of Ba3ErMn2O9. The product shows the structure of the hexagonal precious metal oxides Ba3LnRu2O9, but crystallizes with orthorhombic symmetry, space group C122v-Cmc21, a = 5.823 Å, b - 10.099 Å, c = 14.409 Å; Z = 4. The crystal structure is characterized by ErO6 octahedra, Mn2O9 face shared double octahedra and Ba2+ within cuboctahedral and anticuboctahedral coordination by O2-, respectively. In contrast to precious metal oxides the Mn-Mn distances inside the Mn2O9 double octahedra are elongated

Zur Kristallstruktur von ( Cu ,Mn )3,66Mo3O12/On the Crystal Structure of (Cu ,Mn)3,66Mo3O12

1996 ◽  
Vol 51 (3) ◽  
pp. 447-449 ◽  
Author(s):  
O. Sedello ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Orthorhombic Symmetry ◽  
Space Group ◽  
X Ray ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of (Cu,Mn)3.66Mo3O12 have been prepared in sealed copper tubes. X-ray investiga­tions lead to orthorhombic symmetry, space group D2h16-Pnma, a = 5.1541(9), b = 10.788(2), c = 18.114(3)) Å , Z = 4. (Cu,Mn)3.66Mo3O12 is iso­typic to NaCo2.31Mo3O12 and (Cu,Co)3.75Mo3O12 with split positions for two of the metals.

Synthese und röntgenographische Charakterisierung von zwei neuen Verbindungen des Ludwigit-Strukturtyps: Co5Sn(BO3)2O4 und Co5Mn(BO3 )2O4/Synthesis and X -Ray Characterization of Two New Compounds with Ludwigite-Structure: Co5Sn(BO3)2O4 and Co5Mn(BO3)2O4

1996 ◽  
Vol 51 (3) ◽  
pp. 305-308 ◽  
Author(s):  
Anne Utzolino ◽  
Karsten Bluhm
Keyword(s):  
Orthorhombic Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Coordination ◽  
New Compounds ◽  
Octahedral Oxygen ◽  
Group D ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract The compounds Co5Sn(BO3)2O4 (I) and Co5Mn(BO3)2O4 (II) were prepared by using a B2O3 flux technique. Single crystals were investigated by X-ray diffraction and showed orthorhombic symmetry, space group D2h9-Pbam (No. 55), I a = 944.4; b = 1233.8; c = 310.5 pm; Z = 2 and II a = 925.07; b = 1241.67; c = 305.24 pm; Z = 2. Both compounds are isotypic to the mineral Ludwigite. All metal point positions show an octahedral oxygen coordination. Co2+ and M4+ (M = Sn or Mn) occupy one point position statistically. Both structures contain isolated, trigonal planar BO3 units and oxygen atoms that are not coordinated to boron.

Sign in / Sign up

Export Citation Format

Share Document