Improved Crystallographic Data for AlNbO4

1991 ◽  
Vol 6 (1) ◽  
pp. 48-49 ◽  
Author(s):  
C. J. Rawn ◽  
R. S. Roth ◽  
H. F. McMurdie
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystallographic Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Powder diffraction data and Rietveid refinement of the compound Ba2Cl2Cu3O4

1995 ◽  
Vol 10 (4) ◽  
pp. 282-287 ◽  
Author(s):  
W. Pitschke ◽  
G. Krabbes ◽  
N. Mattern
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Indexed X-ray powder diffraction data are reported for the semiconducting compound Ba2Cl2Cu3O4. The structure was refined by the Rietveid technique on the basis of the space group I4/mmm. Refined unit cell dimensions are a = 5.5156(1) Å, c = 13.8221(3) Å, V = 420.49 Å3Dx = 4.74 g/cm3, F30 = 129(0.0075,30), M20 = 121, Rp = 6.58, Rwp = 8.66, and RB = 4.49.

Powder Diffraction Data of Potassium Calcium Phosphate KCa PO4.H2O

1987 ◽  
Vol 2 (4) ◽  
pp. 253-254 ◽  
Author(s):  
D. Louër ◽  
F. Deneuve ◽  
N. Ouillon
Keyword(s):  
Calcium Phosphate ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractPotassium calcium phosphate, KCa PO4.H2O, has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined from diffractometer data obtained with strictly monochromatized Cu Kα1 radiation, by indexing programs. A C-centered monoclinic cell was found: a =7.5834(9) Å, b = 8.1568(11) Å, c = 7.6541(8) Å, β= 102.975 (9)°.

X-Ray structure of tris(acetonitrile)tricarbonylrhenium(I) tetrafluoroborate

1977 ◽  
Vol 55 (1) ◽  
pp. 111-114 ◽  
Author(s):  
Lillian Y. Y. Chan ◽  
E. E. Isaacs ◽  
W. A. G. Graham
Keyword(s):  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
The Mean ◽  
Unit Cell Dimensions ◽  
Cell Data ◽  
Unit Cell Data

Reaction of [n-Bu4N]2[Re4(CO)16] with AgBF4 in acetonitrile affords the compound [(CH3CN)3Re(CO)3][BF4]. The latter crystallizes in monoclinic space group P21/c with unit cell dimensions a = 11.021(5) Å, b = 11.136(5) Å, c = 12.980(6) Å, β = 96.906(25)°, and four molecules per unit cell. Data were collected by counter methods and the structure was refined using least-squares procedures to give R = 0.041. The rhenium cation is approximately octahedrally coordinated by six facially arranged ligands. The mean rhenium–nitrogen distance is 2.13 Å, and the mean rhenium–nitrogen–carbon angle in the coordinated acetonitrile is 174.7°.

X-ray powder diffraction pattern for lactitol and lactitol monohydrate

1994 ◽  
Vol 9 (3) ◽  
pp. 213-216 ◽  
Author(s):  
J. Valkonen ◽  
P. Perkkalainen ◽  
I. Pitkänen ◽  
H. Rautiainen
Keyword(s):  
Powder Diffraction ◽  
Least Squares Method ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Diffraction Patterns ◽  
Unit Cell Dimensions

Diffraction patterns were recorded, and unit cell dimensions refined by the least-squares method, for lactitol and lactitol monohydrate. Refined unit cell parameters for lactitol are: a =7.622(1) Å, b = 10.764(2) Å, c = 9.375(1) Å, β= 108.25(1)° in space group P21, and those for lactitol monohydrate a =7.844(1) Å, b = 12.673(2) Å, c = 15.942(2) Å in space group P212121.

Powder diffraction data and Rietveld refinement of metastable t-ZrO2 at low temperature

1997 ◽  
Vol 12 (2) ◽  
pp. 96-98 ◽  
Author(s):  
J. Málek ◽  
L. Beneš ◽  
T. Mitsuhashi
Keyword(s):  
Low Temperature ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Indexed X-ray powder diffraction data are reported for the low temperature tetragonal ZrO2 obtained by crystallization of zirconia gel. The structure was refined by the Rietveld technique on the basis of space group P42/nmc. Refined unit cell dimensions are a = 3.5984(5) Å, c = 5.152(1) Å, V = 66.71 Å3, Dx=6.135 g/cm3, F18=62 (0.012, 24), RP=8.99, Rwp=11.48, RB=3.13.

Crystal data and X-ray powder diffraction data of two derivatives of 4-chloro-2,2′-iminodibenzoic acid: diethyl 4-chloro-2,2′-iminodibenzoate, C18H18ClNO4, and dimethyl 4-chloro-2,2′-iminodibenzoate, C16H14ClNO4

1998 ◽  
Vol 13 (3) ◽  
pp. 175-177
Author(s):  
Héctor Novoa de Armas ◽  
Armando Paneque Quevedo ◽  
José Antonio Henao Martínez
Keyword(s):  
Powder Diffraction ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
The One ◽  
Unit Cell Dimensions ◽  
Derivatives Of ◽  
Monoclinic Cell ◽  
Good Agreement

Two derivatives of 4-chloro-2,2′-iminodibenzoic acid: diethyl 4-chloro-2,2′-iminodibenzoate, C18H18ClNO4, and dimethyl 4-chloro-2,2′-iminodibenzoate C16H14ClNO4, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for diethyl 4-chloro-2,2′-iminodibenzoate was a=21.332(3) Å, b=7.889(2) Å, c=10.156(2) Å, β=91.43(1)°, Z=4, space group P2 (No. 3), Pm (No. 6), or P2/m (No. 10), Dx=1.351 mg/m3. The cell found for this compound is in good agreement with the one obtained from single crystal X-ray diffractometry. The monoclinic cell found for dimethyl 4-chloro-2,2′-iminodibenzoate has the dimensions a=15.962(2) Å, b=5.151(2) Å, c=12.590(2) Å, β=98.35(1)°. Z=4, space group P2 (No. 3), Pm (No. 6), or P2/m (No. 10), Dx=2.073 mg/m3.

Crystal Data for Nickel Cimetidine Chloride: Ni (CM)2 CL2·2H2O

1989 ◽  
Vol 4 (4) ◽  
pp. 225-226
Author(s):  
J.M. Amigó ◽  
L.E. Ochando ◽  
M.M. Reventós ◽  
A. Sancho ◽  
L. Soto-Tuero
Keyword(s):  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractNickel Cimetidine Chloride, Ni(C10H16SN6)2Cl2·2H2O has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs, from diffractometer data obtained with copper radiation. A primitive monoclinic cell was found: a = 11.836(3)Å, b = 13.322(5)Å, c = 10.487(2)Å, β = 113.08 (2)°, Z = 2, Dx = 1.462 g/cm3, M.W. = 670.32. These data are consistent with values reported in the literature for other cimetidine complexes.

X-Ray Powder Structural Analysis of the Complexes of Benzo-15-Crown-5 with NaClO4 and KI: [C14H20O5]NaClO4 and [C14H20O5]2KI

1987 ◽  
Vol 2 (2) ◽  
pp. 99-101
Author(s):  
G. Shoham ◽  
N. Cohen ◽  
S. Schneider ◽  
I. Mayer
Keyword(s):  
Crown Ether ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Crystal System ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractX-ray powder diffraction analysis of the complex of Benzo-15-Crown-5 (B-15-Crown-5) with NaClO4 displays a monoclinic crystal system with refined unit cell parameters of a = 8.829(3)Å, b = 8.327(3)Å, c = 24.21(2)Å, ß = 99.18(1)Å, V = 1757.1(1)Å3, Z = 4, and Dx = 1.48 g/cm3. The space group, P21/c, and the unit cell dimensions, determined by a single crystal diffraction analysis, agree well with those of the powder analysis. X-ray powder diffraction analysis of the complex of B-15-Crown-5 with KI displays a tetragonal crystal system with refined unit cell dimensions of a = b = 17.869(3)Å, c = 9.761(3)Å, V = 3116.7(1)Å3, Z = 4, and Dx = 1.50 g/cm3. The space group, P4/n, and the unit cell dimensions, determined by a single crystal diffraction analysis, agree well with those of die powder diffraction analysis. The powder and single crystal analyses of the two complexes indicate that in the solid phase, B-15-Crown-5 forms a 1:1 complex with Na+ and a 2:1 complex with K+. The variation in the complexation mode of B-15-Crown-5 with different cations, partially explains the lack of selectivity of this crown ether towards Na+, while from considerations of the cavity size alone this crown ether was expected to be considerably selective towards this cation.

Powder Diffraction Data of Neodymium Hydroxynitrate Nd(OH)2(NO3).H2O

1986 ◽  
Vol 1 (3) ◽  
pp. 263-264 ◽  
Author(s):  
D. Louër ◽  
F. Deneuve ◽  
C. Herviou ◽  
C. Gourlaouen
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe neodymium hydroxynitrate, Nd(OH)2(NO3).H2O, (PDF #37-1841) has been investigated by means of X-ray powder diffraction data. The unit cell dimensions were determined from diffractometer methods, using strictly monochromatized CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found was a = 19.381(4)Å, b = 3.884(1)Å, c = 6.291(1)Å, β = 96.43(2)°.

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