Synthesis and crystal structure of the pyrovanadate Na2ZnV2O7

2005 ◽  
Vol 20 (3) ◽  
pp. 189-192 ◽  
Author(s):  
Alexander P. Tyutyunnik ◽  
Vladimir G. Zubkov ◽  
Ludmila L. Surat ◽  
Boris V. Slobodin ◽  
Gunnar Svensson
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Type Structure ◽  
Powder Diffraction Data ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Neutron Powder Diffraction Data ◽  
Tetragonal Unit Cell

The compound Na2ZnV2O7 with an åkermanite-type structure has been synthesized. It has a tetragonal unit cell, a=8.2711(4), c=5.1132(2) Å, and crystallizes with P-421m symmetry, Z=2. Its crystal structure has been refined from a combination of X-ray and neutron powder diffraction data. The structure contains layers of corner-sharing VO4 and ZnO4 tetrahedra, the former in pairs forming pyrovanadate V2O7 units. The sodium atoms are positioned between the layers, with a distorted antiprismatic coordination of oxygen atoms.

BaCeN2, ein Bariumnitridocerat(IV) mit einer Struktur vom anti-TiP-Typ / BaCeN2, a Bariumnitridocerate(IV ) with a Structure of the anti-TiP Type

1994 ◽  
Vol 49 (9) ◽  
pp. 1169-1174 ◽  
Author(s):  
Oliver Seeger ◽  
Joachim Strähle
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Type Structure ◽  
Stoichiometric Ratio ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Neutron Powder Diffraction Data ◽  
Moisture Sensitive ◽  
Trigonal Prismatic

Reaction of Ba3N2 with CeN in the stoichiometric ratio 1:3 at 850 °C under an atmosphere of N2 followed by quenching yields air and moisture sensitive BaCeN2. The product crystallizes isotypically to β-RbScO2 with the anti-TiP type structure in the hexagonal space group P63/mmc with a = 365.06(2), c = 1266.03(3) pm, Z = 2. The structure was determined using X-ray and neutron powder diffraction data. In the structure the Ba2+ cations occupy trigonal prismatic holes with distances Ba-N = 288(1) pm while the Ce atoms are in octahedral positions with distances C e -N = 242.4(8) pm

A grid search procedure of positioning a known molecule in an unknown crystal structure with the use of powder diffraction data

1998 ◽  
Vol 213 (1) ◽  
pp. 1-3 ◽  
Author(s):  
V. V. Chernyshev ◽  
H. Schenk
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Molecular Structures ◽  
Search Procedure ◽  
Grid Search ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Neutron Powder Diffraction Data

AbstractAn efficient grid search procedure successfully applied to the solution of three unknown molecular structures from X-ray and neutron powder diffraction data is presented.

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