Crystallography Open Database
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Searching space group like 'R 3 m :H'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4124624 | CIF | Mo S2 | R 3 m :H | 3.171; 3.171; 18.34499 90; 90; 120 | 159.75 | Bell, R.E.; Herfert, R.E. Preparation and characterization of a new crystalline form of molybdenum bisulfide Journal of the American Chemical Society, 1957, 79, 3351-3354 |
| 4126155 | CIF | C28 H64 Mn4 N8 | R 3 m :H | 34.7647; 34.7647; 10.8425 90; 90; 120 | 11348.5 | Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J. Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex. Journal of the American Chemical Society, 2017, 139, 4675-4681 |
| 4126609 | CIF | C12 H10 Co2 O6 | R 3 m :H | 25.751; 25.751; 6.8192 90; 90; 120 | 3916.1 | Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R. M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations. Journal of the American Chemical Society, 2017 |
| 4127188 | CIF | C14.15 H10.91 Co2 O6.61 | R 3 m :H | 25.8977; 25.8977; 6.7599 90; 90; 120 | 3926.4 | Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R. Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks. Journal of the American Chemical Society, 2018 |
| 4133727 | CIF | C7.28 H7.56 Co O3 | R 3 m :H | 25.982; 25.982; 6.8437 90; 90; 120 | 4001 | Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society, 2019, 141, 18325-18333 |
| 4133728 | CIF | C8.17 H8.28 Co O3 | R 3 m :H | 26.089; 26.089; 6.8483 90; 90; 120 | 4036.7 | Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society, 2019, 141, 18325-18333 |
| 4305348 | CIF | C24 H31 B N9 Tl | R 3 m :H | 16.8644; 16.8644; 8.1583 90; 90; 120 | 2009.4 | Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers Inorganic Chemistry, 2008, 47, 5945-5950 |
| 4305386 | CIF | C15 H24 F6 O3 P Re S3 | R 3 m :H | 11.1729; 11.1729; 14.705 90; 90; 120 | 1589.7 | Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions Inorganic Chemistry, 2008, 47, 5902-5909 |
| 4306275 | CIF | H56 K11 O146 P4 Rb7 Ti9 W27 | R 3 m :H | 29.7444; 29.7444; 13.6254 90; 90; 120 | 10439.8 | Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry, 2008, 47, 8574-8576 |
| 4306276 | CIF | Cs11.5 K1.5 Na1.5 O134 Si3 Ti10 W27 | R 3 m :H | 30.3253; 30.3253; 15.8808 90; 90; 120 | 12647.7 | Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry, 2008, 47, 8574-8576 |
| 4308704 | CIF | C69 H60 Dy N3 O3 Si3 | R 3 m :H | 22.937; 22.937; 12.123 90; 90; 120 | 5523 | Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films Inorganic Chemistry, 2005, 44, 1588-1600 |
| 4309242 | CIF | C33 H96 O44 Zr13 | R 3 m :H | 17.2672; 17.2672; 27.4602 90; 90; 120 | 7090.5 | Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford Methyltriskaidecazirconates, Molecular Forms of Zirconia Inorganic Chemistry, 2005, 44, 5397-5404 |
| 4310717 | CIF | C12 Cl3 Cs7 Mo4 N12 Na4 Se4 | R 3 m :H | 11.5386; 11.5386; 28.264 90; 90; 120 | 3258.9 | Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters Inorganic Chemistry, 2004, 43, 1902-1911 |
| 4312088 | CIF | C23 H29 Cl3 Mo N4 O3 | R 3 m :H | 27.7; 27.7; 9.143 90; 90; 120 | 6075.5 | Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes Inorganic Chemistry, 2004, 43, 7800-7806 |
| 4312579 | CIF | C24 H54 N6 V | R 3 m :H | 16.205; 16.205; 9.355 90; 90; 120 | 2127.5 | Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates Inorganic Chemistry, 2003, 42, 7951-7958 |
| 4319886 | CIF | Na6 P4 Pb3 S16 | R 3 m :H | 19.4527; 19.4527; 6.172 90; 90; 120 | 2022.63 | Jennifer A. Aitken; Mercouri G. Kanatzidis α-Na6Pb3(PS4)4, a Noncentrosymmetric Thiophosphate with the Novel, Saucer-Shaped [Pb3(PS4)4]6- Cluster, and Its Metastable, 3-Dimensionally Polymerized Allotrope β-Na6Pb3(PS4)4 Inorganic Chemistry, 2001, 40, 2938-2939 |
| 4322862 | CIF | C60 H24 Ba N8 | R 3 m :H | 12.223; 12.223; 21.461 90; 90; 120 | 2776.7 | Klaus Himmel; Martin Jansen Synthesis and Single-Crystal Structure Analysis of [Ba(NH3)7]C60.NH3 Inorganic Chemistry, 1998, 37, 3437-3439 |
| 4323083 | CIF | Cl Cu3 S3 Te | R 3 m :H | 7.361; 7.361; 10.401 90; 90; 120 | 488.07 | A. Pfitzner CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman Spectroscopic Characterization of a New Zincblende Derivative Inorganic Chemistry, 1998, 37, 5164-5167 |
| 4323187 | CIF | Mo9 O18 Pr4 | R 3 m :H | 11.36; 11.36; 50.392 90; 90; 120 | 5631.8 | J. Tortelier; P. Gougeon Pr~4~Mo~9~O~18~, an Atypical, Novel, Ternary Reduced Molybdenum Oxide Containing Unusual Mo~7~, Mo~13~ and Mo~19~ Clusters. Synthesis, Crystal Structure, and Physical Properties Inorganic Chemistry, 1998, 37, 6229-6236 |
| 4325385 | CIF | Ba15 O675 Rb29 U90 | R 3 m :H | 55.286; 55.286; 20.523 90; 90; 120 | 54325 | Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra Inorganic Chemistry, 2011, 50, 5509-5516 |
| 4325703 | CIF | B5 Be2 H O13 Sr3 | R 3 m :H | 10.2843; 10.2843; 8.477 90; 90; 120 | 776.5 | Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry, 2011, 50, 6809-6813 |
| 4325704 | CIF | B5 Ba3 Be2 H O13 | R 3 m :H | 10.5615; 10.5615; 8.8574 90; 90; 120 | 855.6 | Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry, 2011, 50, 6809-6813 |
| 4326177 | CIF | C189 H309 B9 Cl9 Cr9 Cu9 N108 O51 | R 3 m :H | 34.6504; 34.6504; 23.2241 90; 90; 120 | 24148.3 | Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]- Inorganic Chemistry, 2011, 50, 8636-8644 |
| 4333657 | CIF | Au4.27 Zn8.26 | R 3 m :H | 13.1029; 13.1029; 8.041 90; 90; 120 | 1195.57 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333658 | CIF | Au4.84 Zn7.85 | R 3 m :H | 13.1366; 13.1366; 8.103 90; 90; 120 | 1211 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333659 | CIF | Au4.58 Zn8.12 | R 3 m :H | 13.1345; 13.1345; 8.1103 90; 90; 120 | 1211.7 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333660 | CIF | Au4.42 Zn8.19 | R 3 m :H | 13.133; 13.133; 8.096 90; 90; 120 | 1209.3 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4334360 | CIF | C28 H63 Al Ce O7 | R 3 m :H | 15.775; 15.775; 13.208 90; 90; 120 | 2846.5 | Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry, 2013, 52, 4002-4010 |
| 4334361 | CIF | C28 H63 Ce Fe O7 | R 3 m :H | 15.815; 15.815; 13.272 90; 90; 120 | 2874.8 | Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry, 2013, 52, 4002-4010 |
| 4335924 | CIF | C12 H34 N3 Na3 O29 U3 | R 3 m :H | 16.5975; 16.5975; 10.6852 90; 90; 120 | 2549.17 | Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems Inorganic Chemistry, 2013, 52, 10191-10198 |
| 4336235 | CIF | Ge0.6 Li0.2 Sb0.2 Te | R 3 m :H | 4.2459; 4.2459; 10.4382 90; 90; 120 | 162.966 | Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry, 2013, 52, 11288-11294 |
| 4336236 | CIF | Ge0.733 Li0.133 Sb0.133 Te | R 3 m :H | 4.2029; 4.2029; 10.536 90; 90; 120 | 161.178 | Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry, 2013, 52, 11288-11294 |
| 4336406 | CIF | C3 H3 Ce O6 | R 3 m :H | 10.706; 10.706; 4.1205 90; 90; 120 | 409.01 | Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes Inorganic Chemistry, 2013, 52, 11734-11743 |
| 4340360 | CIF | Ag0.067 Ge0.767 Sb0.133 Te | R 3 m :H | 4.20935; 4.20935; 10.4922 90; 90; 120 | 161.001 | Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering. Inorganic chemistry, 2014, 53, 7722-7729 |
| 4343722 | CIF | Cs F O2 S | R 3 m :H | 6.5922; 6.5922; 8.005 90; 90; 120 | 301.268 | Kessler, U.; van Wuellen, L.; Jansen, M. Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F) Inorganic Chemistry, 2001, 40, 7040-7046 |
| 4344206 | CIF | H3 N S2 Ti | R 3 m :H | 3.427; 3.427; 26.55 90; 90; 120 | 270.037 | Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R. Structural studies of the intercalation complexes Ti S2 (N H3) and Ta S2 (N H3) Inorganic Chemistry, 1975, 14, 1691-1696 |
| 4344945 | CIF | C3 H5 I3 N2 Sn | R 3 m :H | 9.2735; 9.2735; 34.924 90; 90; 120 | 2601 | Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73 |
| 4344954 | CIF | C2 H7 I3 N2 Sn | R 3 m :H | 9.2529; 9.2529; 35.06 90; 90; 120 | 2599.6 | Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73 |
| 4349413 | CIF | C32 H72 F6 Mn4 N8 P | R 3 m :H | 13.26; 13.26; 22.193 90; 90; 120 | 3379.4 | Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J. Covalent Metal-Metal-Bonded Mn<sub>4</sub> Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism. Inorganic chemistry, 2017, 56, 3733-3737 |
| 4503531 | CIF | Ga3 O7 P | R 3 m :H | 7.897; 7.897; 6.757 90; 90; 120 | 364.9 | Xu, Guogang; Li, Jing; Wang, Jiyang; Zhao, Hongyang; Liu, Hong Flux Growth and Characterizations of Ga3PO7Single Crystals Crystal Growth & Design, 2008, 8, 3577 |
| 4510302 | CIF | B6 Br K2.87 Na0.13 O10 | R 3 m :H | 10.071; 10.071; 8.824 90; 90; 120 | 775.1 | Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design, 2014, 14, 1794 |
| 4510303 | CIF | B6 Br K2.33 Na0.67 O10 | R 3 m :H | 10.05; 10.05; 8.816 90; 90; 120 | 771.1 | Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design, 2014, 14, 1794 |
| 4514448 | CIF | C24 H5.26 Co6 I2.66 O18 | R 3 m :H | 25.805; 25.805; 6.7837 90; 90; 120 | 3912.1 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4514449 | CIF | C24 H5.06 Co6 I3.49 O18 | R 3 m :H | 25.819; 25.819; 6.742 90; 90; 120 | 3892.2 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4514451 | CIF | C24 H4.54 Co6 I5.71 O18 | R 3 m :H | 25.802; 25.802; 6.784 90; 90; 120 | 3911.3 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4516618 | CIF | C53.25 H44 Cl9 Cr3 N10.5 O44.92 | R 3 m :H | 15.2032; 15.2032; 46.09 90; 90; 120 | 9225.9 | Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K. Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials. ACS applied materials & interfaces, 2016, 8, 28424-28427 |
| 4518280 | CIF | Ag7.75 O108 Si54 | R 3 m :H | 12.912; 12.912; 23.67 90; 90; 120 | 3417.6 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518281 | CIF | Ag9.54 O108.74 Si54 | R 3 m :H | 12.9559; 12.9559; 23.611 90; 90; 120 | 3432.3 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518282 | CIF | Ag13.82 O121.24 Si54 | R 3 m :H | 13.2131; 13.2131; 23.2393 90; 90; 120 | 3513.69 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518284 | CIF | Ag7.8 O108 Si54 | R 3 m :H | 12.943; 12.943; 23.641 90; 90; 120 | 3429.8 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518285 | CIF | Ag7.98 O108 Si54 | R 3 m :H | 12.955; 12.955; 23.623 90; 90; 120 | 3433.5 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518286 | CIF | Ag11.41 O112.23 Si54 | R 3 m :H | 13.115; 13.115; 23.4675 90; 90; 120 | 3495.7 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 5000097 | CIF | Al22.78 B9.11 Ca0.42 F1.81 Fe0.09 H8.62 K0.01 Li3.74 Mn0.84 Na1.69 O91.19 Si17.94 | R 3 m :H | 15.838; 15.838; 7.1032 90; 90; 120 | 1543.1 | Donnay, G; Barton, R Refinement of the Crystal Structure of Elbaite and the Mechanism of Tourmaline Solid Solution Tschermaks Mineralogische und Petrographische Mitteilungen (-1978), 1972, 18, 273-286 |
| 5000114 | CIF | Ni S | R 3 m :H | 9.619; 9.619; 3.1499 90; 90; 120 | 252.4 | Rajamani, V; Prewitt, C T The crystal structure of millerite Canadian Mineralogist, 1974, 12, 253-257 |
| 7003528 | CIF | C14 H30 B10 N2 Ti | R 3 m :H | 25.806; 25.806; 9.888 90; 90; 120 | 5702.7 | Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions, 2008, 1454-1464 |
| 7003529 | CIF | C15 H32 B10 N2 Ti | R 3 m :H | 26.0448; 26.0448; 9.8439 90; 90; 120 | 5782.8 | Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions, 2008, 1454-1464 |
| 7004547 | CIF | C3 H3 Nd O6 | R 3 m :H | 10.5916; 10.5916; 4.0637 90; 90; 120 | 394.8 | Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions, 2008, 6165-6169 |
| 7004548 | CIF | C3 H3 O6 Pr | R 3 m :H | 10.6344; 10.6344; 4.0806 90; 90; 120 | 399.651 | Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions, 2008, 6165-6169 |
| 7005816 | CIF | C6 H18 Cl I N3 P | R 3 m :H | 8.2595; 8.2595; 16.5475 90; 90; 120 | 977.62 | Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003), 2007, 3252-3258 |
| 7005818 | CIF | C6 H18 Br0.5 Cl0.5 I N3 P | R 3 m :H | 8.2719; 8.2719; 16.646 90; 90; 120 | 986.4 | Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003), 2007, 3252-3258 |
| 7012553 | CIF | C35 H53 Li N2 O3 | R 3 m :H | 32.123; 32.123; 9.273 90; 90; 120 | 8287 | Carey, David T.; Cope-Eatough, Elaine K.; Vilaplana-Mafé, Eva; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J. Structures and reactions of monomeric and dimeric lithium diazapentadienyl complexes with electrophiles: synthesis of α-C,C'-dialkyl-β-diimines, and dissolution-reversible synthesis of an α-alkoxylithium-β-diimine Dalton Transactions, 2003, 1083 |
| 7021728 | CIF | C12 H57 Cu Mo16 N3 Na5 O76 V2 | R 3 m :H | 37.0306; 37.0306; 18.3039 90; 90; 120 | 21736.8 | Li, Fengyan; Meng, Fanzhi; Ma, Lifang; Xu, Lin; Sun, Zhixia; Gao, Qiao 3D pure inorganic framework based on polymolybdovanadate possessing photoelectric properties. Dalton transactions (Cambridge, England : 2003), 2013, 42, 12079-12082 |
| 7027051 | CIF | C3 H12 Ga N | R 3 m :H | 9.2971; 9.2971; 6.6646 90; 90; 120 | 498.88 | Brain, Paul T.; Brown, Helen E.; Downs, Anthony J.; Greene, Tim M.; Johnsen, Emma; Parsons, Simon; Rankin, David W. H.; Smart, Bruce A.; Tang, Christina Y. Molecular structure of trimethylamine‒gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies † Journal of the Chemical Society, Dalton Transactions, 1998, 3685 |
| 7035576 | CIF | C H92 K9 Mn6 O156 Si3 W30 | R 3 m :H | 30.13; 30.13; 13.5343 90; 90; 120 | 10641 | Yang, Ling; Liu, Qisen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping A CO3(2-)-containing, dimanganese-substituted silicotungstate trimer, K9[H14{SiW10Mn(II)Mn(III)O38}3(CO3)]·39H2O. Dalton transactions (Cambridge, England : 2003), 2015, 44, 13469-13472 |
| 7040323 | CIF | Cs10 H42 Mn Na3 Nb9 O138 Si3 W27 | R 3 m :H | 30.722; 30.722; 16.0353 90; 90; 120 | 13107.1 | Wang, Haiying; Liang, Zhijie; Wang, Yaya; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang Insight into the reactivity of in situ formed {(NbO2)3SiW9}: synthesis, structure, and solution properties of a trimeric polytungstosilicate trapping a {MnNb9} core. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15236-15241 |
| 7040599 | CIF | C10 H33 Cl3 Mo3 O10 | R 3 m :H | 16.8738; 16.8738; 6.7163 90; 90; 120 | 1656.1 | Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S. Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16309-16316 |
| 7044055 | CIF | Co2 H3 O9 P3 Pb | R 3 m :H | 5.3145; 5.3145; 25.494 90; 90; 120 | 623.6 | Kovrugin, Vadim M.; Colmont, Marie; Siidra, Oleg I.; Krivovichev, Sergey V.; Colis, Silviu; Mentré, Olivier The First Lead Cobalt Phosphite, PbCo2(HPO3)3 Dalton Trans., 2017 |
| 7045817 | CIF | C22 H34 Cu N7 O2 | R 3 m :H | 16.177; 16.177; 8.509 90; 90; 120 | 1928.4 | Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N. Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 5335-5341 |
| 7056068 | CIF | B3 Be3 F4 Li O9 Sr3 | R 3 m :H | 10.3062; 10.3062; 8.3458 90; 90; 120 | 767.7 | Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers New J. Chem., 2017 |
| 7100121 | CIF | C48 H57 Cl6 Ir3 N6 | R 3 m :H | 24.096; 24.096; 7.479 90; 90; 120 | 3761 | Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications, 2005 |
| 7101561 | CIF | Cs6 H8 Hg4 O4 Sn3 Te13 | R 3 m :H | 15.88; 15.88; 17.367 90; 90; 120 | 3793 | Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6} Chemical Communications, 2006 |
| 7102647 | CIF | Cd4 K6 Se13 Sn3 | R 3 m :H | 15.0338; 15.0338; 16.512 90; 90; 120 | 3231.9 | Mercouri Kanatzidis; Duck-Young Chung; Nan Ding K6Cd4Sn3Se13: A polar open-framework compound based on the partially destroyed supertetrahedral [Cd4Sn4Se17]10- cluster Chemical communications (Cambridge, England), 2004, 1170-1171 |
| 7109719 | CIF | C53.25 H98.33 Cl9 Cr3 N13 O52.4 | R 3 m :H | 15.2032; 15.2032; 46.09 90; 90; 120 | 9225.9 | Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks Chem.Commun., 2013, 49, 8154 |
| 7111137 | CIF | C B4 Cl6 O | R 3 m :H | 11.15; 11.15; 7.586 90; 90; 120 | 816.8 | Jeffery, John C.; Norman, Nicholas C.; Pardoe, Jennifer A. J.; Timms, Peter L. Synthesis and structures of carbonyl adducts of the boranes B(BX2)3 (X = F, Cl) Chemical Communications, 2000, 2367 |
| 7111871 | CIF | C30 H18 Cu2 O10 | R 3 m :H | 26.2119; 26.2119; 36.423 90; 90; 120 | 21672 | Jianfeng Cai; Xingtang Rao; Yabing He; Jancan Yu; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian A highly porous NbO type metal-organic framework constructed from an expanded tetracarboxylate Chem.Commun., 2014, 50, 1552 |
| 7126095 | CIF | C26 H51 Cl4 Co8 N5 O12 | R 3 m :H | 14.8782; 14.8782; 16.9496 90; 90; 120 | 3249.3 | Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube. Chemical communications (Cambridge, England), 2020, 56, 4236-4239 |
| 7127115 | CIF | Cu3 F N O10 Pb Se2 | R 3 m :H | 6.6973; 6.6973; 18.5548 90; 90; 120 | 720.753 | Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen Pb(OF)Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>2</sub>(NO<sub>3</sub>): a selenite fluoride nitrate with a breathing kagomé lattice. Chemical communications (Cambridge, England), 2020, 56, 11965-11968 |
| 7130222 | CIF | C6 H80 Gd3 K3 Na21 O147 P Sb3 W28 | R 3 m :H | 30.6714; 30.6714; 14.4221 90; 90; 120 | 11749.7 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130223 | CIF | C6 H82 K3 Na21 O148 P Sb3 W28 Y3 | R 3 m :H | 30.6654; 30.6654; 14.5899 90; 90; 120 | 11881.7 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130224 | CIF | C6 H82 K3 Na21 O148 P Sb3 W28 Y3 | R 3 m :H | 30.5911; 30.5911; 14.5883 90; 90; 120 | 11822.9 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130225 | CIF | C6 H80 K3 Na21 O147 P Sb3 W28 Yb3 | R 3 m :H | 30.5334; 30.5334; 14.4965 90; 90; 120 | 11704.3 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130695 | CIF | Ge2 O4 Sr3 Te3 | R 3 m :H | 10.5223; 10.5223; 8.68 90; 90; 120 | 832.3 | Sun, Mengran; Xing, Wenhao; Lee, Ming-Hsien; Yao, Jiyong Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr<sub>3</sub>Ge<sub>2</sub>O<sub>4</sub>Te<sub>3</sub>. Chemical communications (Cambridge, England), 2022, 58, 11167-11170 |
| 7153524 | CIF | C57 H51 N6 O10.5 | R 3 m :H | 31.0859; 31.0859; 4.6544 90; 90; 120 | 3895.12 | Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J. Building blocks for cyclotriveratrylene-based coordination networks Organic & Biomolecular Chemistry, 2004, 2, 2958-2964 |
| 7205749 | CIF | B6 Br K3 O10 | R 3 m :H | 10.1153; 10.1153; 8.8592 90; 90; 120 | 785.02 | Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br CrystEngComm, 2011, 13, 2899 |
| 7207099 | CIF | C13.5 H21 O3 | R 3 m :H | 15.8078; 15.8078; 9.2047 90; 90; 120 | 1991.97 | Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion Solid state supramolecular assemblies of triol podands through H-bonds CrystEngComm, 2012, 14, 632 |
| 7209396 | CIF | Au P0.96 Si0.92 | R 3 m :H | 3.459; 3.459; 17.2 90; 90; 120 | 178.222 | Jeitschko, W.; Kaiser, P. Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1997, 52, 462-468 |
| 7210683 | CIF | C12 H31 Cu3 N7 O8 | R 3 m :H | 24.401; 24.401; 11.5733 90; 90; 120 | 5967.6 | Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties CrystEngComm, 2013, 15, 3484 |
| 7210684 | CIF | C9 H24 Cu3 N6 O9 | R 3 m :H | 24.9131; 24.9131; 10.8608 90; 90; 120 | 5837.8 | Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties CrystEngComm, 2013, 15, 3484 |
| 7215988 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4241; 7.4241; 8.7784 90; 90; 120 | 419.02 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215989 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4121; 7.4121; 8.65 90; 90; 120 | 411.6 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215990 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4031; 7.4031; 8.5486 90; 90; 120 | 405.74 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215996 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5595; 7.5595; 8.7694 90; 90; 120 | 434 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215997 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5534; 7.5534; 8.6935 90; 90; 120 | 429.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215998 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.531; 7.531; 8.4767 90; 90; 120 | 416.35 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215999 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5123; 7.5123; 8.3522 90; 90; 120 | 408.2 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7216000 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.4965; 7.4965; 8.2508 90; 90; 120 | 401.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7218932 | CIF | B3 Be3 F4 Na O9 Sr3 | R 3 m :H | 10.4466; 10.4466; 8.3093 90; 90; 120 | 785.3 | Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4 CrystEngComm, 2015, 17, 925 |
| 7221391 | CIF | Li5 Na Sn4 | R 3 m :H | 4.71; 4.71; 31.72 90; 90; 120 | 609.404 | Volk, K.; Mueller, W. Li5 Na Sn4 -eine Phase mit gewellten Sn-Sechsecknetzen Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1978, 33, 593-596 |
| 7223343 | CIF | C12 H15 Cd3 Cl N6 O10 | R 3 m :H | 14.6793; 14.6793; 9.5183 90; 90; 120 | 1776.24 | Wang, Jia; Yao, Shuo; Li, Guanghua; Huo, Qisheng; Zhang, Lirong; Liu, Yunling A Novel Trinuclear Cd(II) Cluster-based Metal‒Organic Framework: Synthesis, Structure and Luminescence Property RSC Adv., 2015 |
| 7227021 | CIF | B6 Br0.67 Cl0.33 K3 O10 | R 3 m :H | 10.099; 10.099; 8.858 90; 90; 120 | 782.39 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227022 | CIF | B6 Br0.79 Cl0.21 K3 O10 | R 3 m :H | 10.1051; 10.1051; 8.855 90; 90; 120 | 783.07 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227023 | CIF | B6 Br0.53 Cl0.47 K3 O10 | R 3 m :H | 10.0938; 10.0938; 8.8593 90; 90; 120 | 781.7 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227024 | CIF | B6 Br0.25 Cl0.75 K3 O10 | R 3 m :H | 10.0855; 10.0855; 8.8613 90; 90; 120 | 780.59 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227025 | CIF | B6 Br0.43 Cl0.57 K3 O10 | R 3 m :H | 10.0907; 10.0907; 8.8573 90; 90; 120 | 781.04 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227026 | CIF | B6 Cl K3 O10 | R 3 m :H | 10.0748; 10.0748; 8.8641 90; 90; 120 | 779.18 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227720 | CIF | C3 H3 Cl Li N3 O3 | R 3 m :H | 7.7079; 7.7079; 9.4483 90; 90; 120 | 486.135 | Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366 |
| 7228728 | CIF | Cs12 H20 Nb9 O130 Si3 W28 | R 3 m :H | 30.4555; 30.4555; 15.9433 90; 90; 120 | 12806.8 | Wang, Haiying; Hou, Lili; Li, Chen; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang Synthesis, structure, and photocatalytic hydrogen evolution of a trimeric Nb/W addendum cluster RSC Adv., 2017, 7, 36416 |
| 7234483 | CIF | Ge0.77 Sb0.15 Te | R 3 m :H | 4.2348; 4.2348; 10.373 90; 90; 120 | 161.1 | Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples Journal of Materials Chemistry C, 2015, 3, 10525-10533 |
| 7242064 | CIF | C24 H27 Br3 N6 | R 3 m :H | 16.647; 16.647; 7.749 90; 90; 120 | 1859.7 | Ma, Shuai; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; Chen, Yun-Rui; Zhang, Jie Boosting activity of molecular oxygen by pyridinium-based photocatalysts for metal-free alcohol oxidation Green Chemistry, 2021, 23, 1337-1343 |
| 7701228 | CIF | C37 H30 Mg2 N O14.57 P | R 3 m :H | 25.5448; 25.5448; 21.0016 90; 90; 120 | 11868.3 | Stein, Timo; Hoffmann, Frank; Fröba, Michael A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15127-15135 |
| 7705076 | CIF | C6 H121 Na17 O162 Sb3 Tb3 W28 | R 3 m :H | 30.8691; 30.8691; 14.8152 90; 90; 120 | 12226 | Xu, Xin; Lu, Changtong; Xie, Saisai; Chen, Lijuan; Zhao, Junwei A trimeric tri-Tb<sup>3+</sup> including antimonotungstate and its Eu<sup>3+</sup>/Tb<sup>3+</sup>/Dy<sup>3+</sup>/Gd<sup>3+</sup>-codoped species with luminescence properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12401-12410 |
| 7707455 | CIF | C63 H81 Cl3 Cu3 N9 | R 3 m :H | 14.7196; 14.7196; 8.367 90; 90; 120 | 1569.97 | Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties. Dalton transactions (Cambridge, England : 2003), 2021, 50, 8889-8898 |
| 8000282 | CIF | C8 H13 Be Br N O3 ad ar at2 be2 ca co d2 de di2 dr e5 ec en er ff h hy ic2 io ld n nn of og om ou rd re s sh si so t te th4 to tu ul us wh wi | R 3 m :H | 8.4155; 8.4155; 11.6376 90; 90; 120 | 713.76 | Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S. High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation. The journal of physical chemistry letters, 2019, 6650-6655 |
| 8103511 | CIF | Al0.42 Ca8.5 Ce1.13 Cl Fe0.93 H9.84 Mn2.13 Na34.43 O152.34 Si50.68 Sr0.77 Ti3.51 Zr3.63 | R 3 m :H | 14.153; 14.153; 60.72 90; 90; 120 | 10533.2 | Rastsvetaeva, R.K.; Khomyakov, A.P.; Chapuis, G. Crystal structure and crystal-chemical features of a new Ti-rich member of the eudialyte family Zeitschrift fuer Kristallographie (149,1979-), 1999, 214, 271-278 |
| 8103688 | CIF | Nb1.95 O7.31004 Pb2.25 | R 3 m :H | 7.472; 7.472; 66.75 90; 90; 120 | 3227.42 | Bernotat-Wulf, H.; Hoffmann, W. Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117 |
| 8103689 | CIF | Nb2 O7.44 Pb2.44 | R 3 m :H | 7.46; 7.46; 96.26 90; 90; 120 | 4639.32 | Bernotat-Wulf, H.; Hoffmann, W. Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117 |
| 8103710 | CIF | In2 S4 Zn | R 3 m :H | 3.85; 3.85; 37.06 90; 90; 120 | 475.727 | Lappe, F.; Niggli, A.; Nitsche, R.; White, J.G. The crystal structure of In2 Zn S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1962, 117, 146-152 |
| 8104026 | CIF | La3.258 Mn1.1 S6 | R 3 m :H | 14.081; 14.081; 21.79999 90; 90; 120 | 3743.29 | Cenzual, K.; Gelato, M.N.; Penzo, M.; 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 |
| 8104027 | CIF | Fe1.1 La3.22 S6 | R 3 m :H | 13.983; 13.983; 21.68999 90; 90; 120 | 3672.74 | Cenzual, K.; Gelato, M.N.; Parthe, E.; Penzo, M. 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 |
| 8104227 | CIF | C Si | R 3 m :H | 3.078; 3.078; 279.5 90; 90; 120 | 2293.24 | Krishna, P.; Verma, A.R. An X-Ray diffraction study of silicon carbide structure types ((33)n 34)3 R Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1962, 117, 1-15 |
| 8104265 | CIF | Ni S | R 3 m :H | 9.476; 9.476; 3.148 90; 90; 120 | 244.802 | Kolkmeijer, N.H.; Moesveld, A.L.T. Ueber die Dichte und Struktur des Millerits (rhomboedrischen Nickelsulfids) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1931, 80, 91-102 |
| 8104345 | CIF | C Si | R 3 m :H | 3.079; 3.079; 370.0198 90; 90; 120 | 3037.91 | Ram, U.S.; Dubey, M.; Singh, G. Structure and growth of an unusual silicon carbide polytype 147R Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 137, 341-351 |
| 8104367 | CIF | Ca3 O5 Si | R 3 m :H | 7.135; 7.135; 25.586 90; 90; 120 | 1128.03 | Nishi, F.; Takeuchi, Y. The rhombohedral structure of tricalcium silicate at 1200 degrees C Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 197-212 |
| 8106809 | CIF | C38 H45 Cl N4 O Pd | R 3 m :H | 30.1968; 30.1968; 11.4611 90; 90; 120 | 9050.6 | Wang, Xin-Ling; Li, Hong-Mei Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2 C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 145-147 |
| 9000028 | CIF | C7 Si7 | R 3 m :H | 3.073; 3.073; 52.78 90; 90; 120 | 431.643 | Ramsdell, L. S. The crystal structure of alpha-SiC, type IV American Mineralogist, 1944, 29, 431-442 |
| 9000029 | CIF | C11 Si11 | R 3 m :H | 3.073; 3.073; 82.94 90; 90; 120 | 678.297 | Ramsdell, L. S. The crystal structure of alpha-SiC, type VI American Mineralogist, 1944, 29, 519-525 |
| 9000031 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.15 90; 90; 120 | 1048.03 | Ramsdell, L. S. The crystal structure of alpha-SiC, type V American Mineralogist, 1946, 31, 205-205 |
| 9000035 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.17 90; 90; 120 | 1048.19 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000036 | CIF | C29 Si29 | R 3 m :H | 3.073; 3.073; 218.65 90; 90; 120 | 1788.16 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000042 | CIF | Al6 B3 H4 Mg3 Na O31 Si6 | R 3 m :H | 15.951; 15.951; 7.24 90; 90; 120 | 1595.31 | Hamburger, G. E.; Buerger, M. J. The structure of tourmaline American Mineralogist, 1948, 33, 532-540 |
| 9000216 | CIF | Al6 B3 F Fe3 H3 Na O30 Si6 | R 3 m :H | 15.869; 15.869; 7.188 90; 90; 120 | 1567.61 | Tippe, A.; Hamilton, W. C. A neutron-diffraction study of the ferric tourmaline, buergerite American Mineralogist, 1971, 56, 101-113 |
| 9000726 | CIF | Al5.94 B3 Ca0.36 Cr0.18 Fe0.18 H3 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11 | R 3 m :H | 15.967; 15.967; 7.191 90; 90; 120 | 1587.69 | Foit, F. F.; Rosenberg, P. E. The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions American Mineralogist, 1979, 64, 788-798 |
| 9001206 | CIF | Al6.966 B3 Fe1.902 H3 Na0.54 O30.333 Si5.856 | R 3 m :H | 15.963; 15.963; 7.148 90; 90; 120 | 1577.41 | Foit, F. F. Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships American Mineralogist, 1989, 74, 422-431 |
| 9001513 | CIF | Al6.078 B3 Ca0.009 Cr0.006 Fe0.612 K0.014 Mg2.274 Mn0.003 Na0.814 O34 Si6 Ti0.03 | R 3 m :H | 15.947; 15.947; 7.214 90; 90; 120 | 1588.78 | Hawthorne, F. C.; MacDonald, D. J.; Burns, P. C. Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the crystal structure of dravite American Mineralogist, 1993, 78, 265-270 |
| 9001517 | CIF | B3 Fe9 H1.998 Na O31 Si6 | R 3 m :H | 16.186; 16.186; 7.444 90; 90; 120 | 1688.95 | Grice, J. D.; Ercit, T. S.; Hawthorne, F. C. Povondraite, a redefinition of the tourmaline ferridravite Note: Atomic parameters updated by Grice on 11/20/2001. American Mineralogist, 1993, 78, 433-436 |
| 9001571 | CIF | Al6.891 B3 Fe1.599 Li0.219 Mg0.051 Mn0.24 Na0.25 O31 Si6 | R 3 m :H | 15.967; 15.967; 7.126 90; 90; 120 | 1573.34 | MacDonald, D. J.; Hawthorne, F. C.; Grice, J. D. Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1993, 78, 1299-1303 |
| 9001968 | CIF | Al8.16 B3 Li0.84 Na0.43 O31 Si6 | R 3 m :H | 15.77; 15.77; 7.085 90; 90; 120 | 1525.93 | Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K. Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1998, 83, 896-900 |
| 9002170 | CIF | Al7.014 B3 Ca0.1 F0.302 Fe1.233 H3.465 K0.043 Li0.006 Mg0.846 Na0.711 O30.698 Si5.832 Ti0.048 V0.006 Zn0.006 | R 3 m :H | 15.939; 15.939; 7.146 90; 90; 120 | 1572.23 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample 108749 American Mineralogist, 1999, 84, 922-928 |
| 9002171 | CIF | Al6.576 B3 Ca0.031 F0.355 Fe1.764 H3.2 K0.03 Li0.021 Mg0.528 Mn0.015 Na0.608 O30.645 Si6 Ti0.081 | R 3 m :H | 15.963; 15.963; 7.154 90; 90; 120 | 1578.73 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample DLux1 American Mineralogist, 1999, 84, 922-928 |
| 9002172 | CIF | Al6.072 B3 Ca0.37 Cr0.009 F0.134 Fe0.549 H3.018 K0.027 Li0.006 Mg2.538 Na0.418 O30.866 Si6 Ti0.036 V0.009 | R 3 m :H | 15.915; 15.915; 7.187 90; 90; 120 | 1576.49 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample LCW2356 American Mineralogist, 1999, 84, 922-928 |
| 9002173 | CIF | Al6.639 B3 Ca0.027 F0.204 Fe1.671 H3.396 K0.025 Mg0.636 Mn0.012 Na0.54 O30.796 Si6 Ti0.009 V0.006 Zn0.006 | R 3 m :H | 15.946; 15.946; 7.157 90; 90; 120 | 1576.03 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample HP2-1 American Mineralogist, 1999, 84, 922-928 |
| 9002174 | CIF | Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.029 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006 | R 3 m :H | 15.935; 15.935; 7.16 90; 90; 120 | 1574.52 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample O-T16-92 American Mineralogist, 1999, 84, 922-928 |
| 9002175 | CIF | Al6.567 B3 Ca0.016 F0.301 Fe1.05 H3.234 K0.015 Li0.006 Mg1.305 Mn0.018 Na0.684 O30.699 Si6 Ti0.024 V0.006 | R 3 m :H | 15.934; 15.934; 7.167 90; 90; 120 | 1575.86 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample SmFalls American Mineralogist, 1999, 84, 922-928 |
| 9002176 | CIF | Al6.606 B3 Ca0.017 F0.106 Fe1.047 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015 | R 3 m :H | 15.935; 15.935; 7.164 90; 90; 120 | 1575.4 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T17-92 American Mineralogist, 1999, 84, 922-928 |
| 9002177 | CIF | Al6.318 B3 Ca0.061 Cr0.006 F0.331 Fe0.789 H2.682 K0.031 Li0.006 Mg1.734 Mn0.006 Na0.626 O30.669 Si6 Ti0.123 V0.009 | R 3 m :H | 15.945; 15.945; 7.169 90; 90; 120 | 1578.48 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T18-92 American Mineralogist, 1999, 84, 922-928 |
| 9002178 | CIF | Al5.439 B3 Ca0.368 F0.495 Fe1.158 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033 | R 3 m :H | 15.965; 15.965; 7.199 90; 90; 120 | 1589.06 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample #32008 American Mineralogist, 1999, 84, 922-928 |
| 9002794 | CIF | Al0.177 As1.19 B4 Ca8.01 Ce2.328 F8.749 Fe0.823 H La2.214 Na0.583 O38.461 P0.227 Si6 Th2.448 | R 3 m :H | 10.8112; 10.8112; 27.3296 90; 90; 120 | 2766.38 | Ballirano, P.; Callegari, A.; Caucia, F.; Maras, A.; Mazzi, F.; Ungaretti, L. The crystal structure of vicanite - (Ce), a borosilicate showing an unusual (Si3B3O18) polyanion American Mineralogist, 2002, 87, 1139-1143 |
| 9002824 | CIF | Al4.56 B3 Ca0.48 F0.18 Fe2.04 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21 | R 3 m :H | 16.017; 16.017; 7.256 90; 90; 120 | 1612.09 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1 from Madagascar Note: intermediate between feruvite and schorl American Mineralogist, 2000, 87, 1437-1442 |
| 9002825 | CIF | Al6.75 B3 Ca0.03 F0.15 Fe2.01 H6.85 K0.01 Li0.33 Mg0.06 Mn0.18 Na0.64 O30.85 Si5.76 Ti0.06 Zn0.03 | R 3 m :H | 15.983; 15.983; 7.152 90; 90; 120 | 1582.25 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 2 from Alto Lighona pegmatite field, Zambezia, Mozambique American Mineralogist, 2000, 87, 1437-1442 |
| 9002826 | CIF | Al6.78 B3 Ca0.01 F0.55 Fe0.9 H3.42 K0.01 Li0.66 Mg0.6 Na0.81 O30.45 Si5.76 Ti0.06 | R 3 m :H | 15.921; 15.921; 7.137 90; 90; 120 | 1566.7 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 3 from a pegmatite at Minas Gerais, Brazil American Mineralogist, 2000, 87, 1437-1442 |
| 9003067 | CIF | Al7.308 B3 Ca0.011 Fe0.021 H3 K0.002 Li0.378 Mn1.233 Na0.693 O31 Si5.928 | R 3 m :H | 15.9466; 15.9466; 7.1384 90; 90; 120 | 1572.06 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample BT from Eibenstein an der Thaya, Lower Austria American Mineralogist, 2003, 88, 1369-1376 |
| 9003068 | CIF | Al7.407 B3 Ca0.032 Fe0.018 H3 K0.004 Li0.483 Mn1.143 Na0.773 O31 Si5.826 Ti0.006 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample P6 from Eibenstein an der Thaya, Lower Austria American Mineralogist, 2003, 88, 1369-1376 |
| 9003356 | CIF | Al8.622 B3.648 H3 Na0.91 O31 Si5.352 | R 3 m :H | 15.7537; 15.7537; 7.0707 90; 90; 120 | 1519.7 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1 American Mineralogist, 2004, 89, 447-454 |
| 9003357 | CIF | Al8.718 B3.57 H3 Na0.92 O31 Si5.43 | R 3 m :H | 15.7713; 15.7713; 7.076 90; 90; 120 | 1524.24 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2 American Mineralogist, 2004, 89, 447-454 |
| 9003358 | CIF | Al8.904 B3.51 H3 Na0.94 O31 Si5.49 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3 American Mineralogist, 2004, 89, 447-454 |
| 9003359 | CIF | Al9 B3.378 H3 Na0.99 O31 Si5.622 | R 3 m :H | 15.8472; 15.8472; 7.0988 90; 90; 120 | 1543.91 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 American Mineralogist, 2004, 89, 447-454 |
| 9003360 | CIF | Al9 B3.354 H6 Na0.9 O31 Si5.646 | R 3 m :H | 15.9013; 15.9013; 7.1213 90; 90; 120 | 1559.39 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5 American Mineralogist, 2004, 89, 447-454 |
| 9003558 | CIF | B3 Ca2.64 Ce4.41 F10 Fe0.77 H4 Na O38 P0.6 Si6.4 Th0.39 Ti0.23 Y7.56 | R 3 m :H | 10.7108; 10.7108; 27.0398 90; 90; 120 | 2686.45 | Boiocchi, M.; Callegari, A.; Ottolini, L.; Maras, A. The chemistry and crystal structure of okanoganite-(Y) and comparison with vicanite-(Ce) Sample: Golden Horn batholith near Washington Pass, Okanogan County American Mineralogist, 2004, 89, 1540-1545 |
| 9003640 | CIF | Al8.982 B3.324 H5 Na0.484 O31 Si5.676 | R 3 m :H | 15.8031; 15.8031; 7.0877 90; 90; 120 | 1532.92 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9003641 | CIF | Al9 B3.39 H3 Na0.478 O31 Si5.61 | R 3 m :H | 15.8171; 15.8171; 7.0935 90; 90; 120 | 1536.9 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9003817 | CIF | Al7.665 B3.09 Ca0.125 F0.51 Fe0.042 H3.637 Li1.248 Mn0.045 Na0.558 O30.49 Si5.91 | R 3 m :H | 15.8232; 15.8232; 7.096 90; 90; 120 | 1538.62 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Elb2rim American Mineralogist, 2005, 90, 1661-1668 |
| 9003818 | CIF | Al7.23 B3.006 Ca0.021 F0.648 H3.352 K0.008 Li0.849 Mn0.897 Na0.786 O30.352 Si5.976 Ti0.033 Zn0.009 | R 3 m :H | 15.9055; 15.9055; 7.127 90; 90; 120 | 1561.46 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2y American Mineralogist, 2005, 90, 1661-1668 |
| 9003819 | CIF | Al7.251 B3.024 Ca0.025 F0.525 H3.388 K0.004 Li0.78 Mn0.978 Na0.776 O30.475 Si5.922 Ti0.033 Zn0.012 | R 3 m :H | 15.9137; 15.9137; 7.1302 90; 90; 120 | 1563.78 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2z American Mineralogist, 2005, 90, 1661-1668 |
| 9003820 | CIF | Al7.269 B3 Ca0.029 F0.538 H3.393 K0.009 Li0.711 Mn1.074 Na0.758 O30.462 Si5.904 Ti0.042 | R 3 m :H | 15.9243; 15.9243; 7.1323 90; 90; 120 | 1566.32 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2w American Mineralogist, 2005, 90, 1661-1668 |
| 9003821 | CIF | Al7.305 B3 Ca0.022 F0.429 H3.382 K0.003 Li0.573 Mn1.161 Na0.737 O30.571 Si5.922 Ti0.039 | R 3 m :H | 15.9303; 15.9303; 7.1341 90; 90; 120 | 1567.9 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: sl2x American Mineralogist, 2005, 90, 1661-1668 |
| 9003822 | CIF | Al7.233 B3 Ca0.025 F0.388 H3.252 K0.004 Li0.444 Mn1.299 Na0.686 O30.612 Si5.982 Ti0.042 | R 3 m :H | 15.9398; 15.9398; 7.1363 90; 90; 120 | 1570.25 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2m American Mineralogist, 2005, 90, 1661-1668 |
| 9003823 | CIF | Al7.278 B3 Ca0.016 F0.409 H3.392 K0.007 Li0.447 Mn1.311 Na0.673 O30.591 Si5.922 Ti0.042 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2g American Mineralogist, 2005, 90, 1661-1668 |
| 9003825 | CIF | Al7.606 B3 Ca0.018 F0.319 H3.762 Li1.363 Mn0.031 Na0.549 O30.681 Si6 | R 3 m :H | 15.8318; 15.8318; 7.0998 90; 90; 120 | 1541.12 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 66c American Mineralogist, 2005, 90, 1784-1792 |
| 9003826 | CIF | Al7.587 B3 Ca0.04 F0.381 H3.632 K0.009 Li1.385 Mn0.029 Na0.515 O30.619 Si6 | R 3 m :H | 15.8343; 15.8343; 7.1007 90; 90; 120 | 1541.81 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 61Rda American Mineralogist, 2005, 90, 1784-1792 |
| 9003827 | CIF | Al7.514 B3.044 F0.626 Fe0.194 H3.573 Li1.25 Mn0.043 Na0.674 O30.374 Si5.956 | R 3 m :H | 15.8468; 15.8468; 7.1058 90; 90; 120 | 1545.35 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 60fc American Mineralogist, 2005, 90, 1784-1792 |
| 9003828 | CIF | Al7.459 B3.034 F0.503 Fe0.121 H3.713 Li1.282 Mg0.125 Mn0.096 Na0.625 O30.497 Si5.966 | R 3 m :H | 15.8528; 15.8528; 7.1083 90; 90; 120 | 1547.06 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 62ha American Mineralogist, 2005, 90, 1784-1792 |
| 9003829 | CIF | Al7.356 B3.004 Ca0.032 F0.516 Fe0.106 H6.484 K0.005 Li1.107 Mn0.43 Na0.661 O33.484 Si6 | R 3 m :H | 15.8801; 15.8801; 7.1169 90; 90; 120 | 1554.28 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 64gh American Mineralogist, 2005, 90, 1784-1792 |
| 9003830 | CIF | Al7.082 B3.014 F0.754 Fe0.795 H3.332 K0.005 Li0.927 Mg0.106 Mn0.072 Na0.841 O30.246 Si5.969 Ti0.035 | R 3 m :H | 15.901; 15.901; 7.1238 90; 90; 120 | 1559.88 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4e American Mineralogist, 2005, 90, 1784-1792 |
| 9003831 | CIF | Al7.208 B3.026 Ca0.049 F0.542 Fe0.962 H3.355 K0.008 Li0.649 Mn0.149 Na0.823 O30.458 Si5.871 Ti0.015 Zn0.15 | R 3 m :H | 15.9285; 15.9285; 7.1286 90; 90; 120 | 1566.33 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 61Vbh American Mineralogist, 2005, 90, 1784-1792 |
| 9003832 | CIF | Al7.045 B3 F0.433 Fe1.438 H3.346 K0.007 Li0.299 Mg0.017 Mn0.191 Na0.649 O30.567 Si5.893 Ti0.009 Zn0.108 | R 3 m :H | 15.9569; 15.9569; 7.1369 90; 90; 120 | 1573.76 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4c American Mineralogist, 2005, 90, 1784-1792 |
| 9003833 | CIF | Al6.933 B3 Ca0.036 F0.235 Fe1.908 H3.303 K0.008 Li0.121 Mg0.06 Mn0.098 Na0.602 O30.765 Si5.834 Ti0.027 Zn0.047 | R 3 m :H | 15.9784; 15.9784; 7.1495 90; 90; 120 | 1580.79 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L3h American Mineralogist, 2005, 90, 1784-1792 |
| 9003834 | CIF | Al6.898 B3 Ca0.009 F0.295 Fe1.774 H3.363 K0.009 Li0.172 Mg0.012 Mn0.124 Na0.632 O30.705 Si5.929 Ti0.023 Zn0.067 | R 3 m :H | 15.9658; 15.9658; 7.1487 90; 90; 120 | 1578.12 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4b American Mineralogist, 2005, 90, 1784-1792 |
| 9003835 | CIF | Al6.904 B3 Ca0.022 F0.201 Fe1.982 H3.347 K0.007 Mg0.137 Mn0.043 Na0.556 O30.799 Si5.883 Ti0.019 Zn0.033 | R 3 m :H | 15.9768; 15.9768; 7.1534 90; 90; 120 | 1581.33 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4d American Mineralogist, 2005, 90, 1784-1792 |
| 9003836 | CIF | Al6.757 B3 Ca0.048 F0.201 Fe2.03 H3.367 K0.01 Li0.04 Mg0.251 Mn0.032 Na0.647 O30.799 Si5.831 Ti0.032 Zn0.026 | R 3 m :H | 15.9825; 15.9825; 7.1596 90; 90; 120 | 1583.83 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L1v American Mineralogist, 2005, 90, 1784-1792 |
| 9003837 | CIF | Al6.705 B3 Ca0.071 F0.249 Fe2.014 H3.321 K0.007 Li0.05 Mg0.296 Mn0.036 Na0.629 O30.751 Si5.832 Ti0.034 Zn0.031 | R 3 m :H | 15.9842; 15.9842; 7.1581 90; 90; 120 | 1583.84 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L1z American Mineralogist, 2005, 90, 1784-1792 |
| 9004019 | CIF | Ag0.18 Al6.981 B3 F0.47 H6.53 Mg2.121 Na0.58 O30.53 Si5.898 | R 3 m :H | 15.8995; 15.8995; 7.1577 90; 90; 120 | 1567.01 | London, D.; Ertl, A.; Hughes, J. M.; Morgan VI G B; Fritz, E. A.; Harms, B. S. Synthetic Ag-rich tourmaline: Structure and chemistry Note: Y(B) adjusted to satisfy symmetry constraint American Mineralogist, 2006, 91, 680-684 |
| 9004078 | CIF | Ni S | R 3 m :H | 9.6071; 9.6071; 3.1434 90; 90; 120 | 251.255 | Grice, J. D.; Ferguson, R. B. Crystal structure refinement of millerite (B-NiS) The Canadian Mineralogist, 1974, 12, 248-252 |
| 9004090 | CIF | Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06 | R 3 m :H | 15.992; 15.992; 7.19 90; 90; 120 | 1592.45 | Fortier, S.; Donnay, G. Schorl refinement showing composition dependence of the tourmaline structure The Canadian Mineralogist, 1975, 13, 173-177 |
| 9004203 | CIF | Al4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291 | R 3 m :H | 16.012; 16.012; 7.245 90; 90; 120 | 1608.65 | Grice, J. D.; Robinson, G. W. Feruvite, a new member of the tourmaline group, and its crystal structure The Canadian Mineralogist, 1989, 27, 199-203 |
| 9004272 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.34 K0.01 Li1.05 Mn0.81 Na0.67 O30.34 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004273 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.3 K0.01 Li1.05 Mn0.81 Na0.67 O30.3 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004274 | CIF | Al7.14 B3 Ca0.16 F0.64 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004275 | CIF | Al7.14 B3 Ca0.16 F0.66 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004276 | CIF | Al6.96 B3 Ca0.15 F0.56 Fe0.66 H3.44 K0.01 Li0.9 Mn0.48 Na0.69 O30.44 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004277 | CIF | Al6.96 B3 Ca0.15 F0.54 Fe0.66 H3.42 K0.01 Li0.9 Mn0.48 Na0.69 O30.42 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004278 | CIF | Al7.11 B3 Ca0.06 F0.65 H3.35 K0.01 Li1.05 Mn0.81 Na0.77 O30.35 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004279 | CIF | Al7.11 B3 Ca0.06 F0.66 H3.3 K0.01 Li1.05 Mn0.81 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004280 | CIF | Al7.2 B3 Ca0.05 F0.56 H3.44 K0.01 Li0.99 Mn0.84 Na0.74 O30.44 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004281 | CIF | Al7.2 B3 Ca0.05 F0.54 H3.42 K0.01 Li0.99 Mn0.84 Na0.74 O30.42 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004282 | CIF | Al7.05 B3 Ca0.04 F0.68 Fe0.06 H3.32 K0.01 Li0.99 Mn0.87 Na0.77 O30.32 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004283 | CIF | Al7.05 B3 Ca0.04 F0.66 Fe0.06 H3.3 K0.01 Li0.99 Mn0.87 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004284 | CIF | Al7.32 B3 Ca0.08 F0.67 Fe0.3 H3.33 Li1.23 Mn0.15 Na0.7 O30.33 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004285 | CIF | Al7.32 B3 Ca0.08 F0.66 Fe0.3 H3.3 Li1.23 Mn0.15 Na0.7 O30.3 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004286 | CIF | Al7.74 B3 Ca0.17 F0.52 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004287 | CIF | Al7.74 B3 Ca0.17 F0.48 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
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