Crystallography Open Database

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7208162 CIFC18 H18 N2 O5 ZnR 3 2 :H18.23; 18.23; 17.1118
90; 90; 120
4924.9Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan
Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties
CrystEngComm, 2012, 14, 5649
7208247 CIFB15 K6 Li3 O30 Sc2R 3 2 :H12.7186; 12.7186; 14.914
90; 90; 120
2089.3Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng
K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge
CrystEngComm, 2012, 14, 5209
7215134 CIFB45 K21 O90 Yb8R 3 2 :H13.2068; 13.2068; 14.76
90; 90; 120
2229.5Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng
A novel UV nonlinear optical crystal material: K21Yb8B45O90
CrystEngComm, 2013, 15, 5064
7221490 CIFCo0.78 O2.48 SrR 3 2 :H9.5008; 9.5008; 12.386
90; 90; 120
968.238de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.
Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2008, 63, 647-654
7221688 CIFC114 H122 N14 O34 Zn8R 3 2 :H18.985; 18.985; 68.34
90; 90; 120
21332Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri
Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net
CrystEngComm, 2015, 17, 8807
7221689 CIFC366 H318 N12 O52 Zn16R 3 2 :H19.168; 19.168; 67.695
90; 90; 120
21540Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri
Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net
CrystEngComm, 2015, 17, 8807
7227786 CIFC48 H82 K2 O42R 3 2 :H43.367; 43.367; 28.09
90; 90; 120
45751Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227787 CIFC48 H82 K2 O42R 3 2 :H43.643; 43.643; 28.059
90; 90; 120
46284Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227788 CIFC48 H82 K2 O42R 3 2 :H43.26; 43.26; 28.104
90; 90; 120
45548Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227855 CIFC151 H132 Cs0 Cu4 N2 O20R 3 2 :H31.812; 31.812; 79.5235
90; 90; 120
69696Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal
A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties
CrystEngComm, 2017, 19, 2042
7231034 CIFC65 H66 Co N12 O8R 3 2 :H17.079; 17.079; 17.9429
90; 90; 120
4532.6Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis
Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations
CrystEngComm, 2018, 20, 4141
7231037 CIFC57 H44 Fe N12 O5R 3 2 :H17.0059; 17.0059; 17.2491
90; 90; 120
4320.13Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis
Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations
CrystEngComm, 2018, 20, 4141
7231532 CIFC54 H36 Ce3 N3 Na3 O28R 3 2 :H12.8523; 12.8523; 45.7558
90; 90; 120
6545.4Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan
Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture
CrystEngComm, 2018, 20, 6088
7234242 CIFC24 H57 Mo12 N8 O63.5 Te2R 3 2 :H20.8647; 20.8647; 16.3866
90; 90; 120
6177.9Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang
Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties
Journal of Materials Chemistry C, 2015, 3, 4632-4639
7238822 CIFC18 H7 Cl Cu N0 O6R 3 2 :H18.5676; 18.5676; 52.205
90; 90; 120
15586.7He, Yabing; Xiang, Shengchang; Zhang, Zhangjing; Xiong, Shunshun; Wu, Chuande; Zhou, Wei; Yildirim, Taner; Krishna, Rajamani; Chen, Banglin
A microporous metal‒organic framework assembled from an aromatic tetracarboxylate for H2 purification
Journal of Materials Chemistry A, 2013, 1, 2543
7242183 CIFC8 H24 N10 O8 S2R 3 2 :H10.0469; 10.0469; 17.318
90; 90; 120
1513.9Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.
Guanidinium sulfates as directors of noncentrosymmetric structures
CrystEngComm, 2021, 23, 1643-1656
7243561 CIFB12 H12 Na O27 Rb5R 3 2 :H11.1487; 11.1487; 20.6785
90; 90; 120
2225.9Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu
Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks
CrystEngComm, 2021, 23, 7081-7089
7701637 CIFC12 H25 Cl3 Mn N4R 3 2 :H10.628; 10.628; 12.506
90; 90; 120
1223.4Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark
Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15480-15486
7702774 CIFC36 H68 Cu3 N3 O20.5R 3 2 :H15.1559; 15.1559; 37.363
90; 90; 120
7432.52López-Sandoval, Horacio; Contreras, Rosalinda; Escuer, Albert; Vicente, Ramon; Bernès, Sylvain; Nöth, Heinrich; Jeffery Leigh, G.; Barba-Behrens, Noráh
Synthesis, crystal structure and magnetic properties of the triangulo-tricopper(ii) complex [Cu3(cpse)3(H2O)3]·8.5H2O
Journal of the Chemical Society, Dalton Transactions, 2002, 2648
7706272 CIFC19 H23 Cu N3 O9R 3 2 :H18.0487; 18.0487; 36.3959
90; 90; 120
10267.7Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing
An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15672-15681
7712350 CIFB15 O30 Rb7 Sc2 SrR 3 2 :H13.3256; 13.3256; 14.8199
90; 90; 120
2279Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong
Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges
Dalton Transactions, 2023
7712351 CIFB15 Ca O30 Rb7 Sc2R 3 2 :H13.3114; 13.3114; 14.5992
90; 90; 120
2240.3Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong
Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges
Dalton Transactions, 2023
7713419 CIFB15 K7 Lu2 O30 PbR 3 2 :H13.0893; 13.0893; 15.2379
90; 90; 120
2260.94Liu, Juhe; Chen, Yuwei; Sun, Mengran; Liu, Wenhao; Meng, Xianghe; Yao, Jiyong
Synthesis and characterization of a new rare earth borate nonlinear optical crystal K<sub>7</sub>PbLu<sub>2</sub>B<sub>15</sub>O<sub>30</sub>.
Dalton transactions (Cambridge, England : 2003), 2023
7714461 CIFC86 H75 N9 O35 S3 Zr6R 3 2 :H32.5504; 32.5504; 40.8188
90; 90; 120
37454.5Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan
Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks
Dalton Transactions, 2023
7717288 CIFAl3 B4 O12 TbR 3 2 :H9.2986; 9.2986; 7.2542
90; 90; 120
543.19Kuznetsov, Artem B.; Jamous, A. Y.; Rakhmanova, Marianna I.; Simonova, Ekaterina; Svetlichnyi, Valery; Kokh, Alexander E.; Yudin, V. N.; Solodovnikov, Sergey F.; Shevchenko, Vyacheslav; Kokh, Konstantin A.
Nonstoichiometry as a hidden aspect of TbAl3(BO3)4 optical properties
Dalton Transactions, 2024
8103392 CIFAg Ga6 Na Te10R 3 2 :H14.488; 14.488; 17.7219
90; 90; 120
3221.5Deiseroth, H.J.; Kienle, L.
Crystal structure of silver sodium hexagallium decatelluride, NaAgGa~6~Te~10~
Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 19-19
8103477 CIFB Be2 F2 K O3R 3 2 :H4.427; 4.427; 18.744
90; 90; 120
318.135Chen, C.; Wu, B.; Mei, L.; Huang, X.; Wu, Q.; Wang, Y.
Crystal structure of K Be2 B O3 F2
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 93-95
8103817 CIFBa6.68 Ca0.72 Ce2.95 Fe0.55 H24.4 K2.74 Na1.5 Nb0.6 O88.5 Si24 Th0.35 Ti4.92R 3 2 :H10.708; 10.708; 60.073
90; 90; 120
5965.22Krivovichev, S.V.; Yakovenchuk, V.N.; Armbruster, T.; Pakhomovskii, Ya.A.; Depmeier, W.
Crystal structure of the K, Ti analogue of ilimausite-(Ce), (Ba, K,Na, Ca)11-12 (REE, Fe, Th)4 (Ti, Nb)6 (Si6 O18)4 (O H)12 * 4.5(H2 O): revision of structure model and structural formula
Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 392-396
8104025 CIFCa Ga6 Te10R 3 2 :H14.42; 14.42; 17.64999
90; 90; 120
3178.38Cenzual, K.; Penzo, M.; Gelato, M.N.; Parthe, E.
Overlooked trigonal symmetry in structures reported with monoclinic centered Bravais lattices; trigonal description of Li8 Pb3, Pt Te, Pt3 Te4, Pt2 Te3, Li Fe6 Ge4, Li Fe6 Ge5, Ca Ga6 Te10 and La3.266 Mn1.1 S6
Zeitschrift fuer Kristallographie (149,1979-), 1990, 193, 217-242
8104084 CIFGa7 Te10R 3 2 :H14.323; 14.323; 17.855
90; 90; 120
3172.19Deiseroth, H.J.; Mueller, H.D.
Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 57-58
8104085 CIFIn7 Te10R 3 2 :H14.873; 14.873; 18.91
90; 90; 120
3622.59Deiseroth, H.J.; Mueller, H.D.
Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 57-58
8104129 CIFGa3 Na Te5R 3 2 :H14.58; 14.58; 17.761
90; 90; 120
3269.74Kienle, L.; Deiseroth, H.J.
Crystal structure of sodium trigallium pentatelluride, Na Ga3 Te5
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 629-629
8104180 CIFCl6 H16 N5 O3 RhR 3 2 :H6.9514; 6.9514; 24.7739
90; 90; 120
1036.74Reiss, G.J.
A reinvestigation of Wilm's salt, (N H4)4 (Rh Cl6) N O3 - structure, spectrocopy and thermal analysis
Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 550-556
9000312 CIFB2 H5 Na O6R 3 2 :H11.09; 11.09; 21.07
90; 90; 120
2244.18Giacovazzo, C.; Menchetti, S.; Scordari, F.
The crystal structure of tincalconite
American Mineralogist, 1973, 58, 523-530
9002675 CIFB4 H8.667 Na2 O11.667R 3 2 :H11.1402; 11.1402; 21.207
90; 90; 120
2279.27Luck, R. L.; Wang, G.
On the nature of tincalconite
American Mineralogist, 2002, 87, 350-354
9004846 CIFBa7.9 Ce3.7 Fe1.6 H28 K3.42 Na5.82 Nb3.72 O88 Si21 Sr0.1 Th0.3 Ti1.98R 3 2 :H10.77; 10.77; 61.05
90; 90; 120
6132.64Ferraris, G.; Gula, A.; Zubkova, N. V.; Pushcharovsky, D. Y.; Gobetchiya, E. R.; Pekov, I. V.; Eldjarn, K.
The crystal structure of ilimaussite-(Ce), (Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, and the "ilimaussite" problem
The Canadian Mineralogist, 2004, 42, 787-795
9009550 CIFH12 Na3.634 O24 Si6 Zr2R 3 2 :H10.556; 10.556; 15.855
90; 90; 120
1530.02Ilyushin, G. D.; Voronkov, A. A.; Nevskii, N. N.; Ilyukhin, V. V.; Belov, N. V.
Crystal structure of hilairite, Na2ZrSi3O9*3H2O
Doklady Akademii Nauk SSSR, 1981, 260, 1118-1120
9009557 CIFBa H4.5 O11.43 Si3 ZrR 3 2 :H10.526; 10.526; 15.736
90; 90; 120
1509.91Sokolova, E. V.; Araktscheeva, A. V.; Voloshin, A. V.
Crystal structure of komkovite
Doklady Akademii Nauk SSSR, 1991, 320, 1384-1388
9009804 CIFCl16 H14 O20 Sn21R 3 2 :H10.018; 10.018; 44.03
90; 90; 120
3826.85Schnering, H. G.; Nesper, R.; Pelshenke, H.
Sn21Cl16(OH)14O6, das sogenannte basische zinn(II)-clorid
Zeitschrift fur Naturforschung B, 1981, 36, 1551-1560
9009935 CIFC2 Ba Mg O6R 3 2 :H5.017; 5.017; 16.77
90; 90; 120
365.554Lippmann, F.
Die kristallstruktur des norsethit, BaMg(CO3)2, im vergleich zum dolomit, CaMg(CO3)2
Naturwissenschaften, 1967, 54, 514-514
9011459 CIFC2 Ba Mg O6R 3 2 :H5.022; 5.022; 16.77
90; 90; 120
366.283Effenberger, H.; Zemann, J.
Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: one more mineral with an aplanar carbonate group Sample: Model 2
Zeitschrift fur Kristallographie, 1985, 171, 275-280
9011777 CIFDy0.1 Gd0.1 H12 K0.6 Na4.4 Nb0.1 O24 Si6 Ti0.2 Y0.8 Zr0.7R 3 2 :H10.825; 10.825; 15.809
90; 90; 120
1604.32Rastsvetaeva, R. K.; Khomyakov, A. P.
Crystal structure of a rare earth analog of hilairite
Kristallografiya, 1992, 37, 1561-1563
9012654 CIFCa0.333 H4 Na0.333 O11 Si3 ZrR 3 2 :H10.498; 10.498; 7.975
90; 90; 120
761.157Pushcharovsky, D. Y.; Pekov, I. V.; Pasero, M.; Gobechiya, E. R.; Merlino, S.; Zubkova, N. V.
Crystal structure of cation-deficient calciohilairite and possible mechanisms of decationization in mixed-framework minerals Locality: Lovozero massif, Kola Peninsula, Russia
Crystallography Reports, 2002, 47, 748-752
9012744 CIFDy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5R 3 2 :H10.696; 10.696; 15.728
90; 90; 120
1558.29Rastsvetaeva, R. K.; Khomyakov, A. P.
Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the hilairite group: crystal structure
Doklady Chemistry, 1996, 351, 283-286
9012820 CIFBa H6 O11.43 Si3 ZrR 3 2 :H10.526; 10.526; 15.736
90; 90; 120
1509.91Sokolova, E. V.; Arakcheeva, A. V.; Voloshin, A. V.
Crystal structure of komkovite
Soviet Physics Doklady, 1991, 36, 666-668
9016358 CIFAl36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36R 3 2 :H12.877; 12.877; 95.244
90; 90; 120
13677.2Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A.
Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure
American Mineralogist, 2012, 97, 1494-1504

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