Crystallography Open Database

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2017772 CIF
HKL
Paper
Ga5.61 La3 O14 Ta0.41P 3 2 18.224; 8.224; 5.126
90; 90; 120
300.2Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017773 CIF
HKL
Paper
Ga5.34 La3 O14 Si0.36 Ta0.29P 3 2 18.195; 8.195; 5.118
90; 90; 120
297.7Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017774 CIF
HKL
Paper
Ga5.48 La3 O14 Ta0.03 Zr0.5P 3 2 18.256; 8.256; 5.141
90; 90; 120
303.5Chitra, R.; Choudhury, R. R.
Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study
Acta Crystallographica Section B, 2010, 66, 497-502
2017775 CIF
HKL
Paper
C41 H77.77 N2 O15.88P 21 21 2111.624; 16.748; 24.018
90; 90; 90
4675.8Holstein, J. J.; Luger, P.; Kalinowski, R.; Mebs, S.; Paulman, C.; Dittrich, B.
Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin
Acta Crystallographica Section B, 2010, 66, 568-577
2017776 CIF
Paper
C22 H8 Br2 O2P 1 21/c 13.865; 19.424; 10.113
90; 92.56; 90
758.5Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017777 CIF
Paper
C22 H8 I2 O2P 1 21/c 14.202; 20.956; 9.276
90; 100.63; 90
802.8Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017778 CIF
Paper
C22 H8 Cl2 O2P -13.795; 9.527; 10.662
105.78; 93.27; 95.26
368.04Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M.
Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones
Acta Crystallographica Section B, 2010, 66, 515-526
2017779 CIF
Paper
C24 H30 N6P -19.697; 12.2426; 13.9365
87.182; 81.257; 82.062
1618.9Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017780 CIF
Paper
C24 H30 N6P -19.8236; 9.9337; 12.1088
92.421; 98.77; 107.011
1112Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017781 CIF
Paper
C76 H96 N20 O0.68P -112.2369; 12.5634; 13.0094
87.378; 68.153; 79.441
1824.4Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele
Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study
Acta Crystallographica Section B, 2010, 66, 527-543
2017782 CIF
Paper
C H6 N O3 PP b c a8.977; 9.186; 10.003
90; 90; 90
824.9Janicki, Rafał; Starynowicz, Przemysław
Charge density distribution in aminomethylphosphonic acid
Acta Crystallographica Section B, 2010, 66, 559-567
2017783 CIF
HKL
Paper
C19 H35 Cl P RhP 1 21/n 18.43502; 13.97075; 16.67516
90; 103.563; 90
1910.26Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K.
Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl]
Acta Crystallographica Section B, 2010, 66, 503-514
2017784 CIF
HKL
Paper
C25 H41 Cl P RhP 1 21/n 110.21309; 15.82275; 14.64123
90; 97.7784; 90
2344.24Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K.
Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl]
Acta Crystallographica Section B, 2010, 66, 503-514
2104666 CIF
Paper
Ge9 O33 Pb15P 310.22887; 10.22887; 10.66337
90; 90; 120
966.23Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104667 CIF
Paper
Bi1.5 Ge9 Na1.5 O33 Pb12P 310.13385; 10.13385; 10.52045
90; 90; 120
935.651Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104668 CIF
Paper
Bi3 Ge9 Na3 O33 Pb9P 310.08745; 10.08745; 10.40506
90; 90; 120
916.934Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104669 CIF
Paper
Ca8 Cl3.8 O42.1 Pb12 Si12P 63/m10.0898; 10.0898; 13.2506
90; 90; 120
1168.24Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.
Polysomatic apatites
Acta Crystallographica Section B, 2010, 66, 1-16
2104670 CIF
HKL
Paper
F4 Mo N2 O2C m c m5.9672; 14.4798; 7.1105
90; 90; 90
614.37Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~
Acta Crystallographica Section B, 2010, 66, 34-39
2104671 CIF
HKL
Paper
F4 Mo N2 O2P n m a7.1452; 5.8979; 14.2737
90; 90; 90
601.52Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~
Acta Crystallographica Section B, 2010, 66, 34-39
2104672 CIF
HKL
Paper
Mn0.729 O1.458 RbFddd(00\g)ss012.207; 20.1548; 3.9753
90; 90; 90
978.04Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin
Structures of incommensurate and commensurate composite crystals Rb~<i>x~</i>MnO~2~ (<i>x</i> = 1.3711, 1.3636)
Acta Crystallographica Section B, 2010, 66, 27-33
2104673 CIF
HKL
Paper
Mn0.733 O1.467 RbFddd(00\g)ss012.1639; 20.1013; 3.9865
90; 90; 90
974.74Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin
Structures of incommensurate and commensurate composite crystals Rb~<i>x~</i>MnO~2~ (<i>x</i> = 1.3711, 1.3636)
Acta Crystallographica Section B, 2010, 66, 27-33
2104674 CIF
Paper
Li0.94 Ni1.04 O7 Ti2.67P -3 c 15.059105; 5.059105; 32.53711
90; 90; 120
721.202Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic
Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction
Acta Crystallographica Section B, 2010, 66, 60-68
2104675 CIF
Paper
Li Ni0.5 O4 Ti1.5F d -3 m :28.36437; 8.36437; 8.36437
90; 90; 90
585.194Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic
Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction
Acta Crystallographica Section B, 2010, 66, 60-68
2104676 CIF
Paper
Cs2 Cu O12 Si5P b c a13.58943; 13.57355; 13.62296
90; 90; 90
2512.85Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N.
Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i>
Acta Crystallographica Section B, 2010, 66, 51-59
2104677 CIF
Paper
Cs8 Cu4 O48 Si20I a -3 d13.6322; 13.6322; 13.6322
90; 90; 90
2533.37Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N.
Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i>
Acta Crystallographica Section B, 2010, 66, 51-59
2104678 CIF
Paper
C13 H18 O2P 1 21/c 112.3794; 5.8723; 17.5615
90; 94.873; 90
1272.03Derollez, Patrick; Dudognon, Emeline; Affouard, Frédéric; Danède, Florence; Correia, Natália T.; Descamps, Marc
<i>Ab initio</i> structure determination of phase II of racemic ibuprofen by X-ray powder diffraction
Acta Crystallographica Section B, 2010, 66, 76-80
2104679 CIF
Paper
C74 H48 Ag2 F12 N2 P4 S2P 1 21/n 18.7406; 15.4925; 24.5352
90; 91.2; 90
3321.7Omondi, Bernard; Meijboom, Reinout
Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(tri-<i>p</i>-fluorophenylphosphine-κ<i>P</i>)silver(I)]
Acta Crystallographica Section B, 2010, 66, 69-75
2104680 CIF
Paper
C74 H48 Ag2 F12 N2 P4 S2P 1 21/c 118.5885; 14.0668; 38.275
90; 96.551; 90
9942.8Omondi, Bernard; Meijboom, Reinout
Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(tri-<i>p</i>-fluorophenylphosphine-κ<i>P</i>)silver(I)]
Acta Crystallographica Section B, 2010, 66, 69-75
2104681 CIF
HKL
Paper
C24 H17.2 Fe Na2 O4.6P b c a36.4368; 11.5998; 45.8014
90; 90; 90
19358.4Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.
1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]
Acta Crystallographica Section B, 2010, 66, 196-205
2104682 CIF
HKL
Paper
C28 H26 Fe O4P -19.1028; 9.6826; 25.3805
83.683; 82.2; 89.46
2202.82Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.
1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]
Acta Crystallographica Section B, 2010, 66, 196-205
2104683 CIF
Paper
Cr2 O7 P2C2/m(\a0\g)-1s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Li, Liang; Schönleber, Andreas; van Smaalen, Sander
Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Acta Crystallographica Section B, 2010, 66, 130-140
2104684 CIF
HKL
Paper
Cr2 O7 P2C2/m(\a0\g)0s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Li, Liang; Schönleber, Andreas; van Smaalen, Sander
Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Acta Crystallographica Section B, 2010, 66, 130-140
2104686 CIF
Paper
Bi35.66 O66.51 W4.34I 4112.5576; 12.5576; 11.274
90; 90; 90
1777.83Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D.
Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction
Acta Crystallographica Section B, 2010, 66, 165-172
2104688 CIF
HKL
Paper
Ca O6 Sr2 WP 1 21/n 15.8; 5.813; 8.207
90; 89.966; 90
276.7Madariaga, G.; Faik, A.; Breczewski, T.; Igartua, J. M.
Crystal growth and twinned crystal structure of Sr~2~CaWO~6~
Acta Crystallographica Section B, 2010, 66, 109-116
2104689 CIF
Paper
B2 Ga4 O9C 1 2/m 115.3658; 5.72177; 10.9987
90; 135.237; 90
680.936Cong, Rihong; Yang, Tao; Li, Kuo; Li, Hongmei; You, Liping; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua
Mullite-type Ga~4~B~2~O~9~: structure and order‒disorder phenomenon
Acta Crystallographica Section B, 2010, 66, 141-150
2104690 CIF
Paper
C4 H12 SiP n m a13.131; 8.198; 6.329
90; 90; 90
681.3Wolf, Alexandra K.; Glinnemann, Jürgen; Fink, Lothar; Alig, Edith; Bolte, Michael; Schmidt, Martin U.
Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane
Acta Crystallographica Section B, 2010, 66, 229-236
2104691 CIF
HKL
Paper
C4 H9 N O2P 1 21 19.614; 5.227; 21.385
90; 100.326; 90
1057.2Görbitz, Carl Henrik
<small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4
Acta Crystallographica Section B, 2010, 66, 253-259
2104692 CIF
HKL
Paper
C4 H9 N O2I 1 2 19.646; 5.2145; 42.885
90; 100.295; 90
2122.3Görbitz, Carl Henrik
<small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4
Acta Crystallographica Section B, 2010, 66, 253-259
2104693 CIF
HKL
Paper
Ga0.25 O1.25 Zn0.75Cmmm(00\g)0s03.2465; 19.64; 3.0979
90; 90; 90
197.53Michiue, Yuichi; Kimizuka, Noboru
Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i>
Acta Crystallographica Section B, 2010, 66, 117-129
2104694 CIF
HKL
Paper
Ga0.1818 O1.0909 Zn0.8181Cmcm(00\g)0003.2494; 19.722; 3.0513
90; 90; 90
195.54Michiue, Yuichi; Kimizuka, Noboru
Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i>
Acta Crystallographica Section B, 2010, 66, 117-129
2104695 CIF
HKL
Paper
H8 Na2 O23 Si8 Sr2C 1 2/c 122.7681; 6.9352; 13.5789
90; 92.578; 90
2141.96Cadoni, Marcella; Ferraris, Giovanni
Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework
Acta Crystallographica Section B, 2010, 66, 151-157
2104696 CIF
Paper
H8 Na4 O23 Si8 SrP 1 2/c 122.4102; 7.0292; 13.314
90; 92.538; 90
2095.24Cadoni, Marcella; Ferraris, Giovanni
Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework
Acta Crystallographica Section B, 2010, 66, 151-157
2104697 CIF
Paper
Ce H4.5 K0.26 Na2.74 O17.25 Si6C m m 27.4128; 30.9652; 7.1756
90; 90; 90
1647.08Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni
New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets
Acta Crystallographica Section B, 2010, 66, 158-164
2104698 CIF
Paper
H4.5 K0.28 La Na2.72 O17.25 Si6C m m 27.4217; 31.0393; 7.1962
90; 90; 90
1657.75Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni
New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets
Acta Crystallographica Section B, 2010, 66, 158-164
2104699 CIF
Paper
H4.5 La Na3 O17.25 Si6C m m 27.4153; 31.0018; 7.1532
90; 90; 90
1644.43Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni
New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets
Acta Crystallographica Section B, 2010, 66, 158-164
2104700 CIF
Paper
Eu0.32 H5.28 La0.68 Na2.74 O17.51 Si6C m m 27.3907; 30.8726; 7.1271
90; 90; 90
1626.19Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni
New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets
Acta Crystallographica Section B, 2010, 66, 158-164
2104701 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -17.1699; 13.2151; 17.3664
107.673; 96.0833; 103.76
1494.34Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104702 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -17.1247; 13.1767; 17.2946
107.732; 96.0184; 103.566
1475.84Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104703 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -17.0855; 13.1506; 17.251
107.936; 95.762; 103.432
1461.58Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104704 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -16.897; 13.1061; 17.5747
107.295; 94.5678; 105.338
1440.99Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104705 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -16.8625; 13.068; 17.5693
107.271; 94.0866; 105.75
1428.17Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104706 CIF
HKL
Paper
C20 H26 Cl2 Cu N6 O14P -16.8472; 13.0645; 17.5942
107.211; 93.712; 105.976
1426.92Kilner, Colin A.; Halcrow, Malcolm A.
Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
Acta Crystallographica Section B, 2010, 66, 206-212
2104707 CIF
HKL
Paper
C10 H40 Al N3 O24P -19.8642; 11.7922; 12.8064
99.1087; 112.27; 92.3805
1352.72Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
Acta Crystallographica Section B, 2010, 66, 213-221
2104708 CIF
HKL
Paper
C10 H40 Al N3 O24C 1 2/c 118.6039; 9.3611; 31.5795
90; 99.3468; 90
5426.65Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
Acta Crystallographica Section B, 2010, 66, 213-221
2104709 CIF
HKL
Paper
C30 H77.44 Cr2 N6 O45.32P 1 21/c 118.0939; 9.4487; 19.0682
90; 116.086; 90
2927.9Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
Acta Crystallographica Section B, 2010, 66, 213-221
2104710 CIF
HKL
Paper
C10 H24 N2 O13 PdP -17.4649; 9.5487; 13.3944
73.8388; 88.0601; 73.6959
879.13Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
Acta Crystallographica Section B, 2010, 66, 213-221
2104711 CIF
HKL
Paper
C20 H50 N4 O26 PdP -17.0048; 9.8871; 13.844
79.8454; 87.7567; 70.4587
889.21Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
Acta Crystallographica Section B, 2010, 66, 213-221
2104712 CIF
Paper
C6 H6 Cl N O6P 1 21/c 17.4; 16.996; 7.865
90; 112.717; 90
912.4Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen
Reversible phase transition of pyridinium-3-carboxylic acid perchlorate
Acta Crystallographica Section B, 2010, 66, 387-395
2104713 CIF
Paper
C6 H6 Cl N O6P 1 21/c 17.404; 16.793; 7.751
90; 112.817; 90
888.3Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen
Reversible phase transition of pyridinium-3-carboxylic acid perchlorate
Acta Crystallographica Section B, 2010, 66, 387-395
2104714 CIF
Paper
C6 H6 Cl N O6P 1 21/c 17.4564; 16.5261; 7.1282
90; 79.754; 90
864.37Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen
Reversible phase transition of pyridinium-3-carboxylic acid perchlorate
Acta Crystallographica Section B, 2010, 66, 387-395
2104715 CIF
Paper
O3 Pb Sc0.5 Ta0.5P m -3 m4.08125; 4.08125; 4.08125
90; 90; 90
67.9798Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104716 CIF
Paper
O3 Pb Sc0.5 Ta0.5P m -3 m4.08028; 4.08028; 4.08028
90; 90; 90
67.9313Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104717 CIF
Paper
O3 Pb Sc0.5 Ta0.5P m -3 m4.07639; 4.07639; 4.07639
90; 90; 90
67.7372Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104718 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7515; 5.7515; 14.095
90; 90; 120
403.79Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104719 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7444; 5.7444; 14.078
90; 90; 120
402.31Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104720 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7374; 5.7374; 14.056
90; 90; 120
400.7Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104721 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7275; 5.7275; 14.024
90; 90; 120
398.41Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104722 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7147; 5.7147; 13.996
90; 90; 120
395.84Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104723 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7002; 5.7002; 13.935
90; 90; 120
392.12Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104724 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.7001; 5.7001; 13.901
90; 90; 120
391.15Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104725 CIF
Paper
O3 Pb Sc0.5 Ta0.5R -3 c :H5.6828; 5.68276; 13.8439
90; 90; 120
387.18Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104726 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5P m -3 m4.08373; 4.08373; 4.08373
90; 90; 90
68.1038Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104727 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5P m -3 m4.08121; 4.08121; 4.08121
90; 90; 90
67.9778Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104728 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5P m -3 m4.07621; 4.07621; 4.07621
90; 90; 90
67.7282Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104729 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5P m -3 m4.07168; 4.07168; 4.07168
90; 90; 90
67.5027Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104730 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5P m -3 m4.05291; 4.05291; 4.05291
90; 90; 90
66.5734Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104731 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5R -3 c :H5.7209; 5.7209; 14.016
90; 90; 120
397.27Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104732 CIF
Paper
Ba0.23 O3 Pb0.77 Sc0.5 Ta0.5R -3 c :H5.6797; 5.6797; 13.919
90; 90; 120
388.86Maier, Bernd J.; Angel, Ross J.; Marshall, William G.; Mihailova, Boriana; Paulmann, Carsten; Engel, Jens M.; Gospodinov, Marin; Welsch, Anna-Maria; Petrova, Dimitrina; Bismayer, Ulrich
Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure
Acta Crystallographica Section B, 2010, 66, 280-291
2104733 CIF
HKL
Paper
C24 H86 F7 Ga14 N8 O72 P16 Zn2P 21 21 224.814; 18.458; 10.2575
90; 90; 90
4698Helliwell, M.; Helliwell, J. R.; Kaucic, V.; Zabukovec Logar, N.; Teat, S. J.; Warren, J. E.; Dodson, E. J.
Determination of zinc incorporation in the Zn-substituted gallophosphate ZnULM-5 by multiple wavelength anomalous dispersion techniques
Acta Crystallographica Section B, 2010, 66, 345-357
2104734 CIF
Paper
Fe9 S10P 1 21/c 16.89339; 28.67216; 6.88524
90; 119.967; 90
1178.93Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104735 CIF
Paper
Fe9 S10P 1 21/c 16.89268; 28.67214; 6.8852
90; 119.956; 90
1178.93Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104736 CIF
Paper
B6 LaP m -3 m4.15706; 4.15706; 4.15706
90; 90; 90
71.8388Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104737 CIF
Paper
SiF d -3 m5.43096; 5.43096; 5.43096
90; 90; 90
160.188Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104738 CIF
Paper
Fe9 S10P 1 21/c 16.89967; 28.66865; 6.88177
90; 120.007; 90
1178.79Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104739 CIF
Paper
Fe7 S8C 1 2/c 111.91383; 6.87079; 12.91089
90; 118.034; 90
932.85Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104740 CIF
Paper
Fe7 S8C 1 2/c 111.938; 6.85191; 12.94671
90; 117.832; 90
936.51Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104741 CIF
Paper
As Fe SP -15.74339; 5.66981; 5.78711
90; 112.191; 90
174.49Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104742 CIF
Paper
Cu Fe S2I -4 2 d5.2888; 5.2888; 10.4221
90; 90; 90
291.52Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104743 CIF
Paper
O2 SnP 42/m n m4.7357; 4.7357; 3.18732
90; 90; 90
71.482Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104744 CIF
Paper
Ca5 F O12 P3P 63/m9.37245; 9.37245; 6.88302
90; 90; 120
523.62Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104745 CIF
Paper
Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6R 3 m :H15.9607; 15.9607; 7.19
90; 90; 120
1586.2Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104746 CIF
Paper
C Fe O3R -3 c :H4.68658; 4.68658; 15.3832
90; 90; 120
292.61Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104747 CIF
Paper
B6 LaP m -3 m4.15706; 4.15706; 4.15706
90; 90; 90
71.8388Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104749 CIF
Paper
Fe9 S10P 1 21/c 16.88904; 28.66859; 6.88286
90; 119.869; 90
1178.79Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104750 CIF
Paper
Fe7 S8C 1 2/c 111.91356; 6.87062; 12.91102
90; 118.034; 90
932.82Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104751 CIF
Paper
Fe7 S8C 1 2/c 111.9381; 6.85202; 12.9461
90; 117.831; 90
936.5Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104752 CIF
Paper
As Fe SP -15.74336; 5.66981; 5.78711
90; 112.19; 90
174.49Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104754 CIF
Paper
O2 SnP 42/m n m4.73576; 4.73576; 3.18726
90; 90; 90
71.482Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104755 CIF
Paper
Ca5 F O12 P3P 63/m9.37243; 9.37243; 6.88313
90; 90; 120
523.63Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279
2104756 CIF
Paper
Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6R 3 m :H15.9608; 15.9608; 7.19
90; 90; 120
1586.2Elliot, Alexander Dean
Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Acta Crystallographica Section B, 2010, 66, 271-279

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