Showing papers in "Acta Crystallographica in 1967"
2,966 citations
TL;DR: In this paper, Werner pointed out what he believed to be an error in his paper concerning the physics of diffraction in perfect crystals, and called to the attention of X-ray crystallographers certain aspects of two papers (Werner & Arrott, 1965; Werner, King & Kendrick, 1966) on neutron diffraction which have a direct bearing on the extinction problem.
Abstract: (1) To point out what I believe to be an error in his paper concerning the physics of diffraction in perfect crystals, and (2) to call to the attention of X-ray crystallographers certain aspects of two papers (Werner & Arrott, 1965; Werner, Arrott, King & Kendrick, 1966) a thesis (Werner, 1965) and a laboratory report (Werner & Arrott, 1964) on neutron diffraction which have a direct bearing on the extinction problem.
651 citations
TL;DR: In this article, the authors derived methods for calculations useful in the operation of 3and 4-circle X-ray or neutron singlecrystal diffractometers, and used them to refine cell and orientation parameters by the method of least squares.
Abstract: Methods are derived for calculations useful in the operation of 3and 4-circle X-ray or neutron singlecrystal diffractometers. These include: (1) establishing the sample orientation from the cell parameters and the observed angles for two reflections, or from the observed angles for three reflections only, (2) calculating the angles for observing a given reflection either in a special setting or at a specified azimuthal angle, (3) obtaining the vectors needed for calculating absorption corrections, and (4) u sing observations of several reflections to refine cell and orientation parameters by the method of le ast squares.
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TL;DR: Uiklro et al. as discussed by the authors proposed a method to solve the problem of the lack of data for the purpose of data augmentation in the context of data collection and analysis.
Abstract: H rol I~:0 ), F01 )C tt r01 IC tt ro! )~ U 3 , 0 1 3 R e 0 * 52*(12000 2 9 9 *)U*0~' /? t 0 2 4 4 * 0 0 , 0 1 ;*'¢U 1 1 b 113-041~70 4 b 1 02~.1330" U31402+02400 2 4 3 Ul+0 I l h * 0 1 6 0 ° U4o023(10 2 0 1 03.112110. 0 1 7 2 . 0 2 0 2 0 0 0 1 5 3 O l ' O l / a O170f ) i O P l ~ o O2041 OJ-O27q* 01~9o 07-4JI;~4t 0135+ UP*UI%~0 1 6 3 0 6 * 0 2 0 R * 0296* 04*01811* 0203* ~.~2~ 112-011~0 1 2 4 O6-01PO0 1 9 9 0 4 0 1 7 0 * 0154* O 3 . O I 5 4 0 1 3 2 07 -01172 o 0 1 5 0 0 5 . 0 1 2 0 0137 ° 0 1 0 1 4 3 , 0154* QJ-02HR* U2751 0 U * 0 1 H I " 0199 ° 07"O225* U220* U3"O11130 1 5 5 " 0 5 " 0 2 ~ q ( IP46U8-022~'* 0237* ()9*O~HK)o 0 2 4 7 K : ~ 0 1 " 0 1 4 4 . 0 1 4 5 . / .~12 /.,-116 L=O o8.o i , , I * 0231. UUo01~'O* 0 0 9 0 , O 1 , 0 2 ~ O 0 2 3 5 0 1 , 0 1 lR* 0 1 6 5 , I . ~ O 2 . 0 1 4 3 0 0 9 3 0 2 ~ 0 2 7 0 * 0252* 02*t12@t~* 0205+ OU+OOq;:'0U490 3 . 0 1 7 7 0114o 02-016Ro 0 1 4 3 . 0 3 " 0 1 7 7 0 0 7 3 01,.)41~0 5 1 b 04oU150* 0 1 4 3 . 04°02110 o U I 4 9 " UboU11F,* 0157@ ulou;; '?~l. 0 2 7 2 . 04-023 '4 0205 ° 0 4 " 0 | 4 7 0 1 7 8 " U~* ( l l ?q* Uiklro ¢' 132*011(11;t* 01~J9. 0~-U1.%(lo (1149. i.~'l"~ 07'*01~R0 1 4 b 03*0211 * 0~'921. 05,*0207 o 0239 01,..0241,,, O I 9 9 . 09°UI5~ .* 0 1 1 8 t 0J '02dca" 0 1 1 b 0 6 O I 5 8 . 0123* 0 3 , 0 1 8 0 , 0 1 9 3 . I ~ ] . H4-U335* 0338* .)b*01 ; . )* 0110* 0 8 " O I 5 1 " 0 1 4 3 " 03-024;~0 2 4 4 00 .03~0+ 0402* t)l~*f)2~lq+ UZ4~* ~ ) 0 b ' 0 1 5 9 0 1 2 5 " 0 1 ~ 0 P l 1 . 0 2 0 4 . Oh'01 b~U1160U*~114h0 1 2 2 0~-410H3. 0113* 01"01b.40 1 7 3 00~,02110307 ° U1"014,'R0 1 1 7 I~].8 I12.051140 5 1 5 " OH"O~'Z3* 0 ~ 9 5 t 0 ~ ' ~ 3 3 3 . 030b* 0 2 " 0 1 4 0 , 0 1 4 8 t 0 2 0 3 0 7 U299° .19"OI~R017503,*03680 3 4 5 0 3 . 0 1 ~ 0 0 2 1 1 03-044::>° O452*
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TL;DR: The magnetic structure of LiFePO4 has been determined from neutron diffraction data as mentioned in this paper, and the magnetic susceptibility measurements on polycrystalline material gave pelf= 5"45#m 0= 88 °K, and T~v = 50°K.
Abstract: The magnetic structure of LiFePO4 has been determined from neutron diffraction data. Magnetic susceptibility measurements on polycrystalline material gave pelf= 5"45#m 0= 88 °K, and T~v = 50°K. Below the N6el temperature, the Fe 2÷ spins align in an antiferromagnetic array collinear with b. The magnetic space group is Pnma'. LiFePO4 is isostructural with olivine; the magnetic properties of the transition-metal olivines are summarized.
TL;DR: The molecular packing of the DADA radicals (Figs. 1 and 2) is very similar in the iodide and perchlorate as mentioned in this paper, and it is noteworthy that the tetrahedral group CIO~is oriented with the edge 0(2)-0(2 ') approximately parallel to the plane of DADA radical.
Abstract: The molecular packing of the DADA radicals (Figs. 1 and 2) is very similar in the iodide and the perchlorate. Contrary to the case of the iodide of the DADA radical, we did not find any abnormally short intermolecular distances in the perchlorate, except the distance C(7)-O(1). It is noteworthy that the tetrahedral group CIO~is oriented with the edge 0(2)-0(2 ') approximately parallel to the plane of the DADA radical. The explanation of this remarkable feature is at present not clear.