两无机物晶体结构 Ag2S； AgInS2 画结构用。
【求助】两无机物晶体结构 Ag2S (JCPDS No. 140072) AgInS2 (JCPDS No. 251328) 主要想知道其晶胞和原子坐标。
【物质】Ag2S ：monoclinic primitive , P21/n(14), a 4.229 b 6.931, c 7.862,
AgInS2 : orthorhombic primitive Pna21(33) a 7.001, b 8.278, c 6.698
【数据库】 Inorganic Crystal Structure Database
【数据库连接】 http://icsd.ill.fr/icsd/index.php
【求助者联系方式】 zhuguoxing1982@yahoo.com.cn
非常感谢！！
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*data for ICSD #44507
Coll Code 44507
Rec Date 2000/12/16
Mod Date 2002/04/01
Chem Name Silver Sulfide - Lt
Structured Ag2 S
Sum Ag2 S1
ANX A2X
Min Name Acanthite
D(calc) 7.25
Title The crystallography of silver sulfide, Ag2 S
Author(s) Frueh, A.J.jr.
Reference Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
(1958), 110, 136-144
Phase Transition
(1992), 38, 127-220
Unit Cell 4.23 6.91 7.87 90. 99.58 90.
Vol 226.83
Z 4
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP12
Wyckoff e3
R Value .27
Red Cell P 4.23 6.91 7.87 90 99.58 90 226.827
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Low-temperature polymorph of argentite, stable below 446 K
Stable up to 450 K (2nd ref.)
Compound with mineral name: Acanthite
The structure has been assigned a PDF number: 14-72
Atom # OX SITE x y z SOF H ITF(B)
Ag 1 +1 4 e 0.758 0.015 0.305 1. 0 1.01
Ag 2 +1 4 e 0.285 0.32 0.435 1. 0 1.16
S 1 -2 4 e 0.359 0.239 0.134 1. 0 0.93
*end for ICSD #44507，
*data for ICSD #44507
Coll Code 44507
Rec Date 2000/12/16
Mod Date 2002/04/01
Chem Name Silver Sulfide - Lt
Structured Ag2 S
Sum Ag2 S1
ANX A2X
Min Name Acanthite
D(calc) 7.25
Title The crystallography of silver sulfide, Ag2 S
Author(s) Frueh, A.J.jr.
Reference Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
(1958), 110, 136-144
Phase Transition
(1992), 38, 127-220
Unit Cell 4.23 6.91 7.87 90. 99.58 90.
Vol 226.83
Z 4
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP12
Wyckoff e3
R Value .27
Red Cell P 4.23 6.91 7.87 90 99.58 90 226.827
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments Low-temperature polymorph of argentite, stable below 446 K
Stable up to 450 K (2nd ref.)
Compound with mineral name: Acanthite
The structure has been assigned a PDF number: 14-72
Atom # OX SITE x y z SOF H ITF(B)
Ag 1 +1 4 e 0.758 0.015 0.305 1. 0 1.01
Ag 2 +1 4 e 0.285 0.32 0.435 1. 0 1.16
S 1 -2 4 e 0.359 0.239 0.134 1. 0 0.93
*end for ICSD #44507
非常感谢！！AgInS2 查不到吗？
*data for ICSD #51618
Coll Code 51618
Rec Date 2003/10/01
Chem Name Silver Indium Sulfide
Structured Ag In S2
Sum Ag1 In1 S2
ANX ABX2
D(calc) 4.91
Title Simultaneous Rietveld refinement of three phases in the Ag-In-S
semiconducting system from x-ray powder diffraction
Author(s) Delgado, G.;Mora, A.J.;Pineda, C.;Tinoco, T.
Reference Materials Research Bulletin
(2001), 36, 2507-2517
Unit Cell 6.9972(6) 8.2733(6) 6.6939(6) 90 90 90
Vol 387.51
Z 4
Space Group P n a 21
SG Number 33
Cryst Sys orthorhombic
Pearson oP16
Wyckoff a4
R Value .052
Red Cell P 6.693 6.997 8.273 90 90 90 387.509
Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments Rietveld profile refinement applied
Structure type : NaFeO2(beta)
X-ray diffraction (powder)
Atom # OX SITE x y z SOF H ITF(B)
Ag 1 +1 4 a 0.409(2) 0.128(4) 0.113(5) 1. 0 1.8(2)
In 1 +3 4 a 0.067(2) 0.129(5) 0.618(5) 1. 0 1.8(2)
S 1 -2 4 a 0.096(7) 0.620(9) 0.019(5) 1. 0 1.8(2)
S 2 -2 4 a 0.078(8) 0.108(9) 0.965(5) 1. 0 1.8(2)
*end for ICSD #51618
谢谢， 好人一生平安！