X-ray powder diffraction analysis of a nonlinear optical material o–chlorobenzol–benzoyl thiourea

A nonlinear optical material, o–chlorobenzol–benzoyl thiourea (C14H11ClN2OS), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 78 observed reflection with 2θ up to 72° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 28 nonoverlapping peaks of the monoclinic compound with a P2 space group are a=13.2797(4) Å, b=12.4058(8) Å, c=8.1561(2) Å, β=95.398(1)°, V=1337.7(4) Å3, Z=4, Dx=1.444 g/cm3. © 1997 International Centre for Diffraction Data.

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X-ray powder diffraction analysis of a nonlinear optical material N-(p-methoxy benzoyl)-N′-(o-methyl phenyl) thiourea

Powder Diffraction ◽

10.1154/1.1468228 ◽

2002 ◽

Vol 17 (3) ◽

pp. 241-243 ◽

Cited By ~ 2

Author(s):

Weiqun Zhou ◽

Zhenjiang Zhang ◽

Zheng Jin ◽

Zong-ming Jin

Keyword(s):

Powder Diffraction ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Experimental Values ◽

Methyl Phenyl

A nonlinear optical material, N-(p-methoxy benzoyl)-N′(o-methyl phenyl) thiourea (C16H16N2O2S), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 90 observed reflections with 2θ up to 88° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The least-squares refined unit cell parameters are a=26.7079(3) Å, b=6.7995(9) Å, c=19.2845(1) Å, β=121.39(4), V=2989.42(3) Å3, Z=8, Dx=1.334(8) g/cm3, space group P2(3).

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X-ray powder diffraction analysis of a nonlinear optical material 3-nitro–4-hydroxy–4′-bromobenzophenone

Powder Diffraction ◽

10.1017/s0885715600014470 ◽

1995 ◽

Vol 10 (2) ◽

pp. 117-119 ◽

Cited By ~ 3

Author(s):

Zong-ming Jin ◽

Zheng Jin ◽

Xiang-yin Zhou

Keyword(s):

Powder Diffraction ◽

Nonlinear Optical ◽

Optical Material ◽

Powder Diffraction Data ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Experimental Values

A nonlinear optical material 3-nitro–4-hydroxy–4′-bromobenzophenone has been characterized by x-ray powder diffraction. Experimental values of 2θ, corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 109 observed reflection with 2θ up to 90° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 34 nonoverlapping peaks of the orthorhombic compound with a P212121 space group are a = 7.619(7) Å, b = 27.651(5) Å, c = 5.650(7) Å, V = 1190.5(9) Å3, Z = 4, and Dx = 1.389 g/cm3.

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X-ray powder diffraction analysis of a nonlinear optical material 1-benzoyl-3-(4-benzyl)thiourea [N-benzoyl-N′-(4-benzyl)thiourea]

Powder Diffraction ◽

10.1017/s088571560000974x ◽

1998 ◽

Vol 13 (1) ◽

pp. 41-43 ◽

Cited By ~ 2

Author(s):

Zong-ming Jin ◽

Weiqun Zhou ◽

Zheng Jin

Keyword(s):

Powder Diffraction ◽

Nonlinear Optical ◽

Optical Material ◽

Powder Diffraction Data ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Experimental Values

A nonlinear optical material, 1-benzoyl-3-(4-benzyl)thiourea (C15H14N2OS), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 82 observed reflections with 2θ up to 80° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The least-squares refined unit cell parameters are a=22.0243(6)Å, b=10.9795(7)Å, c=13.0322(8)Å, β=116.88(2)°, V=2810.8(9)Å3, Z=8, Dx=1.278 g/cm3, space group Pn.

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X-ray powder diffraction analysis of a nonlinear optical material 4-chlorocinnamylidenyl-4′ -phenylacetophenone

Powder Diffraction ◽

10.1017/s0885715600014913 ◽

1995 ◽

Vol 10 (4) ◽

pp. 248-249 ◽

Cited By ~ 1

Author(s):

Zong-ming Jin ◽

Jin Zheng ◽

Yuan Ai-hua

Keyword(s):

Powder Diffraction ◽

Nonlinear Optical ◽

Optical Material ◽

Powder Diffraction Data ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Experimental Values

A nonlinear optical material, 4-chlorocinnamylidenyl-4′ -phenylacetophenone (C23H17ClO), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 94 observed reflections with 2θ up to 60° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 30 nonoverlapping peaks of the orthorhombic compound with a P21212 space group are a =14.756(3) Å, b = 20.647(8) Å, c = 5.840(1) Å, V = 1779.3(9) Å3, Z = 4, and Dx = 1.287 g/cm3.

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X-ray powder diffraction analysis of a nonlinear optical material N-(p-methoxy benzoyl)-N′-(p-methyl phenyl) thiourea

Powder Diffraction ◽

10.1154/1.1348003 ◽

2002 ◽

Vol 17 (3) ◽

pp. 238-240 ◽

Cited By ~ 4

Author(s):

Weiqun Zhou ◽

Chao Xie ◽

Zheng Jin ◽

Zong-ming Jin

Keyword(s):

Powder Diffraction ◽

Figure Of Merit ◽

Nonlinear Optical ◽

Optical Material ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Experimental Values ◽

Methyl Phenyl

A nonlinear optical material, N-(p-methoxy benzoyl)-N′-(p-methyl phenyl) thiourea (C16H16N2O2S), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 94 observed reflections with 2θ up to 66° are reported. The powder diffraction data and the figure-of-merit are reported. The least-squares refined unit cell parameters are a=25.3291(3) Å, b=11.9478(1) Å, c=10.1407(4) Å, β=103.10(2)°, V=2988.97(6) Å3, Z=8, Dx=1.335(0) g/cm3, with space group P21(4).

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X-ray powder diffraction analysis of an organic material for nonlinear optics 3-methyl-4-methoxy-4′-nitrostilbene

Powder Diffraction ◽

10.1017/s0885715600009581 ◽

1997 ◽

Vol 12 (3) ◽

pp. 136-137 ◽

Cited By ~ 1

Author(s):

Zong-ming Jin ◽

Zheng Jin ◽

Fang Huang

Keyword(s):

Powder Diffraction ◽

Crystal Structure Data ◽

Powder Diffraction Data ◽

Nonlinear Optical Material ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Overlapping Peaks ◽

Experimental Values

An organic nonlinear optical material, 3-methyl-4-methoxy-4′-nitrostilbene (C16H15NO3), has been characterized by X-ray powder diffraction. Experimental values of 2θ corrected for systematic errors, relative peak intensities, values of d, and the Miller indices of 77 observed reflections with 2θ up to 82° are reported. The powder diffraction data have been evaluated, and the figures-of-merit are reported. The unit cell parameters least-squares refined from 30 non-overlapping peaks of the orthorhombic compound with a Aba2 space group are a=15.7882(3) Å, b=13.4892(4) Å, c=13.3940(2) Å, V=2852.5(4) Å3, Z=8, Dx=1.254 g/cm3. The powder diffraction results are in a agreement with those obtained from single-crystal structure data.

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X-ray powder diffraction data for cobalt tris-ethylenediamine bromide trihydrate and cobalt tris-ethylenediamine iodide hemihydrate

Powder Diffraction ◽

10.1017/s0885715600010319 ◽

1999 ◽

Vol 14 (1) ◽

pp. 49-52

Author(s):

Hongxiang Wu ◽

Lidun Ma

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Orthorhombic Space Group ◽

Space Group ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit

X-ray powder data are given for cobalt tris-ethylenediamine bromide trihydrate, [Co(en)3]Br3·3H2O, and cobalt tris-ethylenediamine iodide hemihydrate, [Co(en)3]I3·0.5H2O. Refined unit-cell parameters for [Co(en)3]Br3·3H2O are a=11.6949(4) Å and c=16.0640(12) Å in trigonal space group P3¯c1(165) or P3c1(158); volume =1902.72 Å3; figures of merit: M20=29, F30=55 (0.0138, 40). Refined unit-cell parameters for [Co(en)3]I3·0.5H2O are a=23.3580(14) Å, b=13.4739(4) Å, and c=11.5421(5) Å in orthorhombic space group Pca21(29) or Pcam(57); volume =3632.57 Å3; figures of merit: M20=37, F30=81 (0.0058, 64).

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New X-ray powder diffraction data for thallium pentaborates Tl[B5O6(OH)4]·2H2O and TlB5O8

Powder Diffraction ◽

10.1017/s0885715600010605 ◽

1999 ◽

Vol 14 (3) ◽

pp. 237-239 ◽

Cited By ~ 2

Author(s):

M. Touboul ◽

N. Penin ◽

L. Seguin

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Diffraction Patterns

Precise X-ray powder diffraction patterns of hydrated and anhydrous thallium pentaborates have been collected on a D5000 diffractometer with a primary monochromated beam (λ Cu Kα1=1.5406 Å). Refinement of indexed reflections led to the following unit cell parameters: a=11.279(1)Å, b=7.1507(6)Å, c=13.953(1)Å, β=94.164(7)° in the P21/c space group with Z=4, Dx=2.713 gcm−3, Dm=2.6 gcm−3 for Tl[B5O6(OH)4]·2H2O and a=7.5698(5)Å, b=11.9509(6)Å, c=14.759(1)Å in the Pbca space group with Z=8, Dx=3.844 gcm−3, Dm=3.6 gcm−3 for TlB5O8. Very good Smith and Snyder figures of merit have been obtained: F30=139.7 (0.0043, 50) for Tl[B5O6(OH)4]·2H2O and F30=139.3 (0.0054, 40) for TlB5O8.

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Powder diffraction data for the germanides CoGe and Co5Ge7

Powder Diffraction ◽

10.1017/s0885715600010964 ◽

2000 ◽

Vol 15 (2) ◽

pp. 120-122 ◽

Cited By ~ 9

Author(s):

N. Audebrand ◽

M. Ellner ◽

E. J. Mittemeijer

Keyword(s):

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell ◽

Defect Structures ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Figures Of Merit ◽

Pearson Symbol

Precise X-ray powder diffraction data are given for two germanides, CoGe and Co5Ge7. The refined unit cell parameters for CoGe are a=11.630(1) Å, b=3.8014(3) Å, c=4.9347(3) Å and β=100.889(8)° (space group C2/m, Pearson symbol mC16) with volume of the unit cell 214.24(2) Å3; the figures of merit are M20=96, F30=77 (0.0085, 46). The refined unit cell parameters for Co5Ge7 are a=7.6262(4) Å and c=5.8017(5) Å (I4mm, tI24) with volume of the unit cell 337.42(3) Å3; the figures of merit are M20=204 and F22=130(0.0068, 25). The dependence on composition of the unit cell parameters of CoGe is discussed in terms of specific defect structures.

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X-ray powder diffraction data for tetrazene nitrate monohydrate, C2H9N11O4

Powder Diffraction ◽

10.1017/s0885715621000579 ◽

2021 ◽

pp. 1-3

Author(s):

J. Maixner ◽

J. Ryšavý

Keyword(s):

Cell Volume ◽

Powder Diffraction ◽

Diffraction Data ◽

Unit Cell Volume ◽

Unit Cell ◽

Powder Diffraction Data ◽

Unit Cell Parameters ◽

Space Group ◽

X Ray ◽

Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for tetrazene nitrate monohydrate, C2H9N11O4, are reported [a = 5.205(1) Å, b = 13.932(3) Å, c = 14.196(4) Å, β = 97.826(3)°, unit-cell volume V = 1019.8(4) Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

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