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北京石油化工学院2026年研究生招生接收调剂公告

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可可5162

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[交流] 无机盐硝酸镉晶胞参数

无机盐硝酸镉晶胞参数是多少

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1楼 2009-08-01 10:22:36

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xi2004

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含水的都在这里了.

*data for ICSD #6185
CopyRight ?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 6185
Rec  Date 1980/01/01
Chem Name Cadmium Nitrate Dihydrate
Structured  Cd (N O3)2 (H2 O)2
Sum       H4 Cd1 N2 O8
ANX       AB2X8
D(calc)    2.84
Title    Cadmium nitrate dihydrate,  Cd (N O3)2 (H2 O)2
Author(s) Milinski, N.;Ribar, B.
Reference Crystal Structure Communications
         (1974), 3, 757-760
Unit Cell 5.972(2) 8.996(4) 12.129(6) 90. 102.19(4) 90.
Vol       636.93
Z          4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson    mP60
Wyckoff    e11
R Value    .063
Red Cell P  5.972 8.996 12.129 90 102.19 90 636.927
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-070-2059
         X-ray diffraction from single crystal
         At least one temperature factor missing in the paper.
         Position of 16 Elements of H Are Undetermined.
Atom  # OX SITE    x          y          z          SOF    H
Cd 1  +2 4 e 0.2342(1) 0.1914(1) 0.3104(1)    1.       0
O 1  -2 4 e 0.0516(13)  0.4264(9) 0.2916(6)    1.       0
O 2  -2 4 e 0.2335(13)  0.4864(9) 0.4567(6)    1.       0
O 3  -2 4 e 0.0406(13)  0.6507(8) 0.3526(6)    1.       0
O 4  -2 4 e 0.5842(15)  -.2068(8) 0.3291(6)    1.       0
O 5  -2 4 e 0.4640(14)  -.0107(9) 0.2298(7)    1.       0
O 6  -2 4 e 0.3769(13)  -.0465(8) 0.3901(6)    1.       0
O 7  -2 4 e 0.0280(14)  0.1542(10)  0.4490(7)    1.       0
O 8  -2 4 e 0.5694(13)  0.2449(8) 0.4377(6)    1.       0
N 1  +5 4 e 0.1114(16)  0.5191(10)  0.3689(8)    1.       0
N 2  +5 4 e 0.4770(17)  -.0895(10)  0.3147(8)    1.       0
*end for ICSD #6185

*data for ICSD #14315
CopyRight ?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 14315
Rec  Date 1980/01/01
Mod  Date 1988/05/03
Chem Name Cadmium Nitrate Tetrahydrate
Structured  Cd (N O3)2 (H2 O)4
Sum       H8 Cd1 N2 O10
ANX       AB2X10
D(calc)    2.47
Title    Refinement of the Structure of Cd (N O3 2 (H2 O)4
Author(s) Matkovic, B.;Ribar, B.;Zelenko, B.;Peterson, S.W.
Reference Acta Crystallographica (1,1948-23,1967)
         (1966), 21, 719-725
Unit Cell 5.828(5) 25.86(3) 11.002(5) 90. 90. 90.
Vol       1658.13
Z          8
Space Group F d d 2
SG Number 43
Cryst Sys orthorhombic
Pearson    oF168
Wyckoff    b6 a
R Value    .084
Red Cell F  5.828 6.225 13.254 84.093 77.299 62.088 414.534
Trans Red -1.000 0.000 0.000 / -0.500 0.000 -0.500 / -0.500 -0.500 0.000
Comments The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-071-2125
         Structure type : Cd(NO3)2(H2O)4
         X-ray diffraction from single crystal
         Position of 64 Elements of H Are Undetermined.
Atom  # OX SITE    x          y          z          SOF    H
Cd 1  +2 8 a 0          0          0             1.       0
O 1  -2 16 b  0.3412(28)  0.0469(5) -.0645(21)    1.       0
O 2  -2 16 b  0.1427(42)  0.0923(9) 0.0524(32)    1.       0
O 3  -2 16 b  0.4650(31)  0.1225(6) 0.0096(35)    1.       0
O 4  -2 16 b  0.2512(38)  -.0244(8) 0.1456(23)    1.       H2
O 5  -2 16 b  0.1825(35)  -.0498(7) -.1480(21)    1.       H2
N 1  +5 16 b  0.3198(38)  0.0875(7) -.0105(21)    1.       0
Lbl  Type Beta11    Beta22    Beta33    Beta12    Beta13    Beta23
Cd1  Cd2+  0.0191(5) 0.00080(2)  0.0038(1) -.0003(2) 0          0
O1 O2- 0.0215(44)  0.0005(2) 0.0100(17)  0.0005(8) 0.0008(26)  0.0002(5)
O2 O2- 0.0292(70)  0.0018(4) 0.0157(29)  -.0008(13)  0.0064(42)  -.0003(10)
O3 O2- 0.0316(76)  0.0012(2) 0.0109(23)  -.0010(9) 0.0148(45)  0.0009(10)
O4 O2- 0.0378(70)  0.0015(3) 0.0104(20)  0.0020(14)  -.0054(44)  0.0000(7)
O5 O2- 0.0266(58)  0.0013(3) 0.0083(18)  -.0002(10)  -.0029(29)  -.0004(6)
N1 N5+ 0.0233(53)  0.0014(3) 0.0048(15)  -.0005(10)  -.0029(28)  0.0011(6)
*end for ICSD #14315

*data for ICSD #34187
CopyRight ?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 34187
Rec  Date 1980/01/01
Mod  Date 1984/11/02
Chem Name Cadmium Nitrate Tetrahydrate
Structured  Cd (N O3)2 (H2 O)4
Sum       H8 Cd1 N2 O10
ANX       AB2X10
D(calc)    2.48
Title    The crystal structure of cadmium nitrate tetrahydrate
Author(s) Matkovic, B.;Ribar, B.
Reference Documenta Chemica Yugoslavica. Croatica Chemica Acta
         (1963), 35, 147-152
Unit Cell 5.83 25.75 10.99 90. 90. 90.
Vol       1649.85
Z          8
Space Group F d d 2
SG Number 43
Cryst Sys orthorhombic
Pearson    oF168
Wyckoff    b6 a
R Value    .116
Red Cell F  5.83 6.220 13.200 84.060 77.242 62.054 412.462
Trans Red -1.000 0.000 0.000 / -0.500 0.000 -0.500 / -0.500 -0.500 0.000
Comments The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-076-0538
         Structure type prototype : Cd(NO3)2(H2O)4
         Structure type : Cd(NO3)2(H2O)4
         X-ray diffraction from single crystal
         At least one temperature factor missing in the paper.
         Position of 64 Elements of H Are Undetermined.
Atom  # OX SITE    x          y          z          SOF    H
Cd 1  +2 8 a 0          0          0             1.       0
O 1  -2 16 b  0.35       0.046    -.067       1.       0
O 2  -2 16 b  0.133    0.095    0.046       1.       0
O 3  -2 16 b  0.467    0.118    0             1.       0
O 4  -2 16 b  0.227    -.028    0.164       1.       H2
O 5  -2 16 b  0.197    -.056    -.135       1.       H2
N 1  +5 16 b  0.318    0.085    -.006       1.       0
*end for ICSD #34187

*data for ICSD #34701
CopyRight ?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 34701
Rec  Date 1980/01/01
Mod  Date 2003/04/01
Chem Name Cadmium Nitrate(V) Tetrakis(dideuteriohydrate)
Structured  Cd (N O3)2 (D2 O)4
Sum       D8 Cd1 N2 O10
ANX       AB2X10
D(calc)    2.54
Title    The determination of the crystal structure of cadmium nitrate
         tetradeuterate by means of neutron anomalous dispersion measurements
Author(s) MacDonald, A.C.;Sikka, S.K.
Reference Acta Crystallographica B (24,1968-38,1982)
         (1969), 25, 1804-1811
Unit Cell 5.828 25.86 11.002 90. 90. 90.
Vol       1658.13
Z          8
Space Group F d d 2
SG Number 43
Cryst Sys orthorhombic
Pearson    oF168
Wyckoff    b6 a
R Value    .074
Red Cell F  5.828 6.225 13.254 84.093 77.299 62.088 414.534
Trans Red -1.000 0.000 0.000 / -0.500 0.000 -0.500 / -0.500 -0.500 0.000
Comments y(O4) was misprinted as .3201, cf. 14315
         Neutron diffraction (single crystal)
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-073-6457
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 21-828
         Structure type : Cd(NO3)2(H2O)4
         At least one temperature factor is implausible or
         meaningless but agrees with the value given in the paper.
         The coordinates given in the paper contain an error. The
         values in the database have been corrected.
Atom  # OX SITE    x          y          z          SOF    H
Cd 1  +2 8 a 0          0          0             1.       0
N 1  +5 16 b  0.1791(9) 0.0879(2) 0.5031(14)    1.       0
O 1  -2 16 b  0.1566(15)  0.0468(2) 0.5627(15)    1.       0
O 2  -2 16 b  0.3553(18)  0.0916(4) 0.4434(17)    1.       0
O 3  -2 16 b  0.0292(20)  0.1229(4) 0.5028(15)    1.       0
O 4  -2 16 b  0.4888(22)  0.2301(4) 0.0966(22)    1.       0
O 5  -2 16 b  0.1895(22)  0.0481(4) 0.1437(16)    1.       0
D 1  +1 16 b  0.4947(20)  0.1951(5) 0.0627(15)    1.       0
D 2  +1 16 b  0.5349(26)  0.2509(5) 0.0314(13)    1.       0
D 3  +1 16 b  0.1329(21)  0.0826(4) 0.1587(16)    1.       0
D 4  +1 16 b  0.3455(21)  0.0530(4) 0.1174(15)    1.       0
Lbl  Type Beta11    Beta22    Beta33    Beta12    Beta13    Beta23
Cd1  Cd2+  0.0123(55)  0.0005(2) 0.0014(12)  -.0014(12)  0          0
N1 N5+ 0.0141(18)  0.0005(1) 0.0106(8) 0.0006(3) -.0002(11)  -.0010(2)
O1 O2- 0.0295(31)  0          0.0018(5) 0.0005(4) -.0048(13)  0.0005(2)
O2 O2- 0.0259(48)  0.0015(2) 0.0060(9) -.0002(9) -.0004(17)  0.0008(3)
O3 O2- 0.0366(44)  0.0009(1) 0.0140(13)  0.0018(8) -.0060(21)  0.0013(4)
O4 O2- 0.0386(56)  0.0006(1) 0.0240(24)  -.0016(7) 0.0201(33)  -.0035(5)
O5 O2- 0.0280(49)  0.0011(2) 0.0052(9) -.0001(7) 0.0109(20)  -.0007(3)
D1 D1+ 0.0320(34)  0.0025(3) 0.0040(8) 0.0002(9) 0.0071(17)  0.0006(4)
D2 D1+ 0.0779(82)  0.0026(3) 0.0062(12)  -.0059(15)  0.0149(25)  0.0001(5)
D3 D1+ 0.0456(58)  0.0017(2) 0.0062(10)  0.0026(9) 0.0054(16)  -.0002(3)
D4 D1+ 0.0352(47)  0.0012(2) 0.0067(11)  -.0010(7) 0.0053(19)  -.0003(3)
*end for ICSD #34701

*data for ICSD #109014
CopyRight ?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
         Commerce on behalf of the United States.  All rights reserved.
Coll Code 109014
Rec  Date 2007/04/01
Chem Name Cadmium Dinitrate(V) Tetrakis(dideuteriohydrate)
Structured  Cd (N O3)2 (D2 O)4
Sum       D8 Cd1 N2 O10
ANX       AB2X10
D(calc)    2.51
Title    The determination of the crystal structure of Cd (N O3)2 (D2 O)4 by
         means od neutron anomalous dispersion measurements
Author(s) McDonald, A.C.;Sikka, S.K.
Reference Acta Crystallographica B (24,1968-38,1982)
         (1969), 25, 1804-1811
Unit Cell 5.868(5) 25.86(3) 11.002(5) 90. 90. 90.
Vol       1669.51
Z          8
Space Group F d d 2
SG Number 43
Cryst Sys orthorhombic
Pearson    oF168
Wyckoff    b6 a
R Value    .074
Red Cell F  5.868 6.234 13.258 84.022 77.215 61.926 417.379
Trans Red -1.000 0.000 0.000 / -0.500 0.000 -0.500 / -0.500 -0.500 0.000
Comments Neutron diffraction (single crystal)
         Structure type : Cd(NO3)2(H2O)4
         Unusual difference between calculated and measured density
         At least one temperature factor is implausible or
         meaningless but agrees with the value given in the paper.
Atom  # OX SITE    x          y          z          SOF    H
Cd 1  +2 8 a 0          0          0             1.       0
O 1  -2 16 b  0.1566(15)  0.0468(2) 0.5627(15)    1.       0
O 2  -2 16 b  0.3553(18)  0.0916(4) 0.4434(17)    1.       0
O 3  -2 16 b  0.0292(20)  0.1229(4) 0.5028(15)    1.       0
O 4  -2 16 b  0.4888(22)  0.3201(4) 0.0966(22)    1.       H2
O 5  -2 16 b  0.1895(22)  0.0481(4) 0.1437(16)    1.       H2
N 1  +5 16 b  0.1791(9) 0.0879(2) 0.5031(14)    1.       0
D 1  +1 16 b  0.4947(20)  0.1951(5) 0.0627(15)    1.       0
D 2  +1 16 b  0.5349(26)  0.2509(5) 0.0314(13)    1.       0
D 3  +1 16 b  0.1329(21)  0.0826(4) 0.1587(16)    1.       0
D 4  +1 16 b  0.3455(21)  0.0530(4) 0.1174(15)    1.       0
Lbl  Type Beta11    Beta22    Beta33    Beta12    Beta13    Beta23
Cd1  Cd2+  .0123(55) .0005(2) .0014(12) -.0014(12)  0          0
O1 O2- .0295(31) 0          .0018(5) .0005(4) -.0048(13)  .0005(2)
O2 O2- .0259(48) .0015(2) .0060(9) -.0002(9) -.0004(17)  .0008(3)
O3 O2- .0366(44) .0009(1) .0140(13) .0018(8) -.0060(21)  .0013(4)
O4 O2- .0386(56) .0006(1) .0240(24) -.0016(7) .0201(33) -.0035(5)
O5 O2- .0280(49) .0011(2) .0051(9) -.0001(7) .0109(20) -.0007(3)
N1 N5+ .0141(18) .0005(1) .0106(8) .0006(3) -.0002(11)  .0010(2)
D1 D1+ .0320(34) .0025(3) .0040(8) .0002(9) .0071(17) .0006(4)
D2 D1+ .0779(82) .0026(3) .0062(12) -.0059(15)  .0149(25) .0001(5)
D3 D1+ .0456(58) .0017(2) .0062(10) .0026(9) .0054(16) -.0002(3)
D4 D1+ .0352(47) .0012(2) .0067(11) -.0010(7) .0053(19) -.0003(3)
*end for ICSD #109014

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5楼2009-08-01 20:43:37

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seh.123

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★
小木虫(金币+0.5):给个红包，谢谢回帖交流

Cd(NO3)2.有多种晶体结构
每种晶胞参数参数都不一样,不知道你说的是那种

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2楼2009-08-01 18:43:22

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可可5162

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那怎么查呢我想要所有的

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3楼2009-08-01 20:22:27

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

xi2004

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★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
paopaomeng(金币+1,VIP+0):谢谢交流 8-10 20:41

ICSD有.
无水的只有下面这个

*data for ICSD #297
Coll Code 297
Rec  Date 1980/01/01
Mod  Date 2005/10/01
Chem Name Cadmium Dinitrate(V)
Structured  Cd (N O3)2
Sum       Cd1 N2 O6
ANX       AB2X6
D(calc)    3.62
Title    Structure cristalline et polymorphisme du nitrate de cadmium anhydre
Author(s) Louer, M.;Louer, D.;Grandjean, D.
Reference Journal of Solid State Chemistry
         (1976), 17, 231-237
         Golden Book of Phase Transitions, Wroclaw
         (2002), 1, 1-123
Unit Cell 7.5073(14) 15.3692(35) 7.5073(14) 90. 90. 90.
Vol       866.2
Z          8
Space Group P c a 21
SG Number 29
Cryst Sys orthorhombic
Pearson    oP72
Wyckoff    a18
R Value    .044
Red Cell P  7.507 7.507 15.369 89.999 89.999 90 866.201
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments Stable up to 433 K (2nd ref., Tomaszewski), above cubic
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-070-0155
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 27-1051
         X-ray diffraction from single crystal
Atom  # OX SITE    x          y          z          SOF    H       ITF(B)
Cd 1  +2 4 a 0.9729(4) 0.1245(2) 0.25          1.       0             0
Cd 2  +2 4 a 0.4824(4) 0.3785(2) 0.2698(3)    1.       0             0
N 1  +5 4 a 0.3426(26)  0.2928(13)  0.6312(24)    1.       0          0.78
O 1  -2 4 a 0.2422(23)  0.2683(11)  0.7459(35)    1.       0          2.35
O 2  -2 4 a 0.3156(28)  0.3611(14)  0.5623(30)    1.       0          2.56
O 3  -2 4 a 0.4661(26)  0.2472(12)  0.5926(22)    1.       0          1.9
N 2  +5 4 a 0.1731(35)  0.5537(15)  0.9380(29)    1.       0          1.24
O 4  -2 4 a 0.1972(26)  0.5051(13)  0.8083(25)    1.       0          1.48
O 5  -2 4 a 0.2800(28)  0.6086(15)  0.9742(28)    1.       0          1.65
O 6  -2 4 a 0.0333(35)  0.5425(13)  0.0254(31)    1.       0          1.91
N 3  +5 4 a 0.8709(27)  0.2128(15)  0.5959(27)    1.       0          1.27
O 7  -2 4 a 0.8414(21)  0.2544(11)  0.7337(22)    1.       0          1.39
O 8  -2 4 a 0.7832(30)  0.1448(13)  0.5754(32)    1.       0          2.35
O 9  -2 4 a 0.982(3) 0.2428(12)  0.4714(21)    1.       0          2.49
N 4  +5 4 a 0.1731(36)  0.0479(17)  0.9242(32)    1.       0          1.43
O 10 -2 4 a 0.206(3) -.0062(15)  0.7958(30)    1.       0          2.29
O 11 -2 4 a 0.0315(38)  0.0428(14)  0.0152(23)    1.       0          2.3
O 12 -2 4 a 0.2789(33)  0.1088(18)  0.9521(32)    1.       0          2.67
Lbl  Type Beta11    Beta22    Beta33    Beta12    Beta13    Beta23
Cd1  Cd2+  0.0098(5) 0.0018(1) 0.0064(5) -.0007(2) -.0013(6) -.0007(2)
Cd2  Cd2+  0.0059(4) 0.0019(1) 0.0084(6) -.0002(2) -.0011(5) 0.0005(2)
*end for ICSD #297

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