Crystallography Open Database

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4124624 CIFMo S2R 3 m :H3.171; 3.171; 18.34499
90; 90; 120
159.75Bell, 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 CIFC28 H64 Mn4 N8R 3 m :H34.7647; 34.7647; 10.8425
90; 90; 120
11348.5Vaddypally, 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 CIFC12 H10 Co2 O6R 3 m :H25.751; 25.751; 6.8192
90; 90; 120
3916.1Bachman, 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 CIFC14.15 H10.91 Co2 O6.61R 3 m :H25.8977; 25.8977; 6.7599
90; 90; 120
3926.4Gonzalez, 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 CIFC7.28 H7.56 Co O3R 3 m :H25.982; 25.982; 6.8437
90; 90; 120
4001Barnett, 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 CIFC8.17 H8.28 Co O3R 3 m :H26.089; 26.089; 6.8483
90; 90; 120
4036.7Barnett, 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 CIFC24 H31 B N9 TlR 3 m :H16.8644; 16.8644; 8.1583
90; 90; 120
2009.4Ningfeng 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 CIFC15 H24 F6 O3 P Re S3R 3 m :H11.1729; 11.1729; 14.705
90; 90; 120
1589.7Brenton 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 CIFH56 K11 O146 P4 Rb7 Ti9 W27R 3 m :H29.7444; 29.7444; 13.6254
90; 90; 120
10439.8Ghada 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 CIFCs11.5 K1.5 Na1.5 O134 Si3 Ti10 W27R 3 m :H30.3253; 30.3253; 15.8808
90; 90; 120
12647.7Ghada 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 CIFC69 H60 Dy N3 O3 Si3R 3 m :H22.937; 22.937; 12.123
90; 90; 120
5523Timothy 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 CIFC33 H96 O44 Zr13R 3 m :H17.2672; 17.2672; 27.4602
90; 90; 120
7090.5Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford
Methyltriskaidecazirconates, Molecular Forms of Zirconia
Inorganic Chemistry, 2005, 44, 5397-5404
4310717 CIFC12 Cl3 Cs7 Mo4 N12 Na4 Se4R 3 m :H11.5386; 11.5386; 28.264
90; 90; 120
3258.9Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks
Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters
Inorganic Chemistry, 2004, 43, 1902-1911
4312088 CIFC23 H29 Cl3 Mo N4 O3R 3 m :H27.7; 27.7; 9.143
90; 90; 120
6075.5Brian 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 CIFC24 H54 N6 VR 3 m :H16.205; 16.205; 9.355
90; 90; 120
2127.5Booyong 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 CIFNa6 P4 Pb3 S16R 3 m :H19.4527; 19.4527; 6.172
90; 90; 120
2022.63Jennifer 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 CIFC60 H24 Ba N8R 3 m :H12.223; 12.223; 21.461
90; 90; 120
2776.7Klaus Himmel; Martin Jansen
Synthesis and Single-Crystal Structure Analysis of [Ba(NH3)7]C60.NH3
Inorganic Chemistry, 1998, 37, 3437-3439
4323083 CIFCl Cu3 S3 TeR 3 m :H7.361; 7.361; 10.401
90; 90; 120
488.07A. Pfitzner
CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman Spectroscopic Characterization of a New Zincblende Derivative
Inorganic Chemistry, 1998, 37, 5164-5167
4323187 CIFMo9 O18 Pr4R 3 m :H11.36; 11.36; 50.392
90; 90; 120
5631.8J. 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 CIFBa15 O675 Rb29 U90R 3 m :H55.286; 55.286; 20.523
90; 90; 120
54325Daniel 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 CIFB5 Be2 H O13 Sr3R 3 m :H10.2843; 10.2843; 8.477
90; 90; 120
776.5Colin 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 CIFB5 Ba3 Be2 H O13R 3 m :H10.5615; 10.5615; 8.8574
90; 90; 120
855.6Colin 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 CIFC189 H309 B9 Cl9 Cr9 Cu9 N108 O51R 3 m :H34.6504; 34.6504; 23.2241
90; 90; 120
24148.3Min-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 CIFAu4.27 Zn8.26R 3 m :H13.1029; 13.1029; 8.041
90; 90; 120
1195.57Srinivasa Thimmaiah; Gordon J. Miller
rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System
Inorganic Chemistry, 2013, 52, 1328-1337
4333658 CIFAu4.84 Zn7.85R 3 m :H13.1366; 13.1366; 8.103
90; 90; 120
1211Srinivasa Thimmaiah; Gordon J. Miller
rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System
Inorganic Chemistry, 2013, 52, 1328-1337
4333659 CIFAu4.58 Zn8.12R 3 m :H13.1345; 13.1345; 8.1103
90; 90; 120
1211.7Srinivasa Thimmaiah; Gordon J. Miller
rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System
Inorganic Chemistry, 2013, 52, 1328-1337
4333660 CIFAu4.42 Zn8.19R 3 m :H13.133; 13.133; 8.096
90; 90; 120
1209.3Srinivasa Thimmaiah; Gordon J. Miller
rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System
Inorganic Chemistry, 2013, 52, 1328-1337
4334360 CIFC28 H63 Al Ce O7R 3 m :H15.775; 15.775; 13.208
90; 90; 120
2846.5Johannes 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 CIFC28 H63 Ce Fe O7R 3 m :H15.815; 15.815; 13.272
90; 90; 120
2874.8Johannes 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 CIFC12 H34 N3 Na3 O29 U3R 3 m :H16.5975; 16.5975; 10.6852
90; 90; 120
2549.17Daniel 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 CIFGe0.6 Li0.2 Sb0.2 TeR 3 m :H4.2459; 4.2459; 10.4382
90; 90; 120
162.966Thorsten 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 CIFGe0.733 Li0.133 Sb0.133 TeR 3 m :H4.2029; 4.2029; 10.536
90; 90; 120
161.178Thorsten 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 CIFC3 H3 Ce O6R 3 m :H10.706; 10.706; 4.1205
90; 90; 120
409.01Christoph 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 CIFAg0.067 Ge0.767 Sb0.133 TeR 3 m :H4.20935; 4.20935; 10.4922
90; 90; 120
161.001Schröder, 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 CIFCs F O2 SR 3 m :H6.5922; 6.5922; 8.005
90; 90; 120
301.268Kessler, 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 CIFH3 N S2 TiR 3 m :H3.427; 3.427; 26.55
90; 90; 120
270.037Chianelli, 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 CIFC3 H5 I3 N2 SnR 3 m :H9.2735; 9.2735; 34.924
90; 90; 120
2601Stoumpos, 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 CIFC2 H7 I3 N2 SnR 3 m :H9.2529; 9.2529; 35.06
90; 90; 120
2599.6Stoumpos, 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 CIFC32 H72 F6 Mn4 N8 PR 3 m :H13.26; 13.26; 22.193
90; 90; 120
3379.4Vaddypally, 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 CIFGa3 O7 PR 3 m :H7.897; 7.897; 6.757
90; 90; 120
364.9Xu, Guogang; Li, Jing; Wang, Jiyang; Zhao, Hongyang; Liu, Hong
Flux Growth and Characterizations of Ga3PO7Single Crystals
Crystal Growth & Design, 2008, 8, 3577
4510302 CIFB6 Br K2.87 Na0.13 O10R 3 m :H10.071; 10.071; 8.824
90; 90; 120
775.1Han, 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 CIFB6 Br K2.33 Na0.67 O10R 3 m :H10.05; 10.05; 8.816
90; 90; 120
771.1Han, 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 CIFC24 H5.26 Co6 I2.66 O18R 3 m :H25.805; 25.805; 6.7837
90; 90; 120
3912.1Lee, 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 CIFC24 H5.06 Co6 I3.49 O18R 3 m :H25.819; 25.819; 6.742
90; 90; 120
3892.2Lee, 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 CIFC24 H4.54 Co6 I5.71 O18R 3 m :H25.802; 25.802; 6.784
90; 90; 120
3911.3Lee, 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 CIFC53.25 H44 Cl9 Cr3 N10.5 O44.92R 3 m :H15.2032; 15.2032; 46.09
90; 90; 120
9225.9Elsaidi, 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 CIFAg7.75 O108 Si54R 3 m :H12.912; 12.912; 23.67
90; 90; 120
3417.6Cametti, 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 CIFAg9.54 O108.74 Si54R 3 m :H12.9559; 12.9559; 23.611
90; 90; 120
3432.3Cametti, 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 CIFAg13.82 O121.24 Si54R 3 m :H13.2131; 13.2131; 23.2393
90; 90; 120
3513.69Cametti, 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 CIFAg7.8 O108 Si54R 3 m :H12.943; 12.943; 23.641
90; 90; 120
3429.8Cametti, 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 CIFAg7.98 O108 Si54R 3 m :H12.955; 12.955; 23.623
90; 90; 120
3433.5Cametti, 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 CIFAg11.41 O112.23 Si54R 3 m :H13.115; 13.115; 23.4675
90; 90; 120
3495.7Cametti, 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 CIFAl22.78 B9.11 Ca0.42 F1.81 Fe0.09 H8.62 K0.01 Li3.74 Mn0.84 Na1.69 O91.19 Si17.94R 3 m :H15.838; 15.838; 7.1032
90; 90; 120
1543.1Donnay, 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 CIFNi SR 3 m :H9.619; 9.619; 3.1499
90; 90; 120
252.4Rajamani, V; Prewitt, C T
The crystal structure of millerite
Canadian Mineralogist, 1974, 12, 253-257
7003528 CIFC14 H30 B10 N2 TiR 3 m :H25.806; 25.806; 9.888
90; 90; 120
5702.7Sit, 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 CIFC15 H32 B10 N2 TiR 3 m :H26.0448; 26.0448; 9.8439
90; 90; 120
5782.8Sit, 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 CIFC3 H3 Nd O6R 3 m :H10.5916; 10.5916; 4.0637
90; 90; 120
394.8Lin, 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 CIFC3 H3 O6 PrR 3 m :H10.6344; 10.6344; 4.0806
90; 90; 120
399.651Lin, 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 CIFC6 H18 Cl I N3 PR 3 m :H8.2595; 8.2595; 16.5475
90; 90; 120
977.62Barnes, 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 CIFC6 H18 Br0.5 Cl0.5 I N3 PR 3 m :H8.2719; 8.2719; 16.646
90; 90; 120
986.4Barnes, 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 CIFC35 H53 Li N2 O3R 3 m :H32.123; 32.123; 9.273
90; 90; 120
8287Carey, 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 CIFC12 H57 Cu Mo16 N3 Na5 O76 V2R 3 m :H37.0306; 37.0306; 18.3039
90; 90; 120
21736.8Li, 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 CIFC3 H12 Ga NR 3 m :H9.2971; 9.2971; 6.6646
90; 90; 120
498.88Brain, 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 CIFC H92 K9 Mn6 O156 Si3 W30R 3 m :H30.13; 30.13; 13.5343
90; 90; 120
10641Yang, 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 CIFCs10 H42 Mn Na3 Nb9 O138 Si3 W27R 3 m :H30.722; 30.722; 16.0353
90; 90; 120
13107.1Wang, 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 CIFC10 H33 Cl3 Mo3 O10R 3 m :H16.8738; 16.8738; 6.7163
90; 90; 120
1656.1Kuznetsov, 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 CIFCo2 H3 O9 P3 PbR 3 m :H5.3145; 5.3145; 25.494
90; 90; 120
623.6Kovrugin, 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 CIFC22 H34 Cu N7 O2R 3 m :H16.177; 16.177; 8.509
90; 90; 120
1928.4Chang, 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 CIFB3 Be3 F4 Li O9 Sr3R 3 m :H10.3062; 10.3062; 8.3458
90; 90; 120
767.7Guo, 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 CIFC48 H57 Cl6 Ir3 N6R 3 m :H24.096; 24.096; 7.479
90; 90; 120
3761Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang
Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands
Chemical Communications, 2005
7101561 CIFCs6 H8 Hg4 O4 Sn3 Te13R 3 m :H15.88; 15.88; 17.367
90; 90; 120
3793Stefanie 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 CIFCd4 K6 Se13 Sn3R 3 m :H15.0338; 15.0338; 16.512
90; 90; 120
3231.9Mercouri 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 CIFC53.25 H98.33 Cl9 Cr3 N13 O52.4R 3 m :H15.2032; 15.2032; 46.09
90; 90; 120
9225.9Sameh 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 CIFC B4 Cl6 OR 3 m :H11.15; 11.15; 7.586
90; 90; 120
816.8Jeffery, 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 CIFC30 H18 Cu2 O10R 3 m :H26.2119; 26.2119; 36.423
90; 90; 120
21672Jianfeng 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 CIFC26 H51 Cl4 Co8 N5 O12R 3 m :H14.8782; 14.8782; 16.9496
90; 90; 120
3249.3Yu, 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 CIFCu3 F N O10 Pb Se2R 3 m :H6.6973; 6.6973; 18.5548
90; 90; 120
720.753Zhang, 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 CIFC6 H80 Gd3 K3 Na21 O147 P Sb3 W28R 3 m :H30.6714; 30.6714; 14.4221
90; 90; 120
11749.7Tanuhadi, Elias; Rompel, Annette
Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation
Chemical Communications, 2022
7130223 CIFC6 H82 K3 Na21 O148 P Sb3 W28 Y3R 3 m :H30.6654; 30.6654; 14.5899
90; 90; 120
11881.7Tanuhadi, Elias; Rompel, Annette
Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation
Chemical Communications, 2022
7130224 CIFC6 H82 K3 Na21 O148 P Sb3 W28 Y3R 3 m :H30.5911; 30.5911; 14.5883
90; 90; 120
11822.9Tanuhadi, Elias; Rompel, Annette
Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation
Chemical Communications, 2022
7130225 CIFC6 H80 K3 Na21 O147 P Sb3 W28 Yb3R 3 m :H30.5334; 30.5334; 14.4965
90; 90; 120
11704.3Tanuhadi, Elias; Rompel, Annette
Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation
Chemical Communications, 2022
7130695 CIFGe2 O4 Sr3 Te3R 3 m :H10.5223; 10.5223; 8.68
90; 90; 120
832.3Sun, 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 CIFC57 H51 N6 O10.5R 3 m :H31.0859; 31.0859; 4.6544
90; 90; 120
3895.12Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.
Building blocks for cyclotriveratrylene-based coordination networks
Organic & Biomolecular Chemistry, 2004, 2, 2958-2964
7205749 CIFB6 Br K3 O10R 3 m :H10.1153; 10.1153; 8.8592
90; 90; 120
785.02Zhang, 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 CIFC13.5 H21 O3R 3 m :H15.8078; 15.8078; 9.2047
90; 90; 120
1991.97Cîrcu, 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 CIFAu P0.96 Si0.92R 3 m :H3.459; 3.459; 17.2
90; 90; 120
178.222Jeitschko, 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 CIFC12 H31 Cu3 N7 O8R 3 m :H24.401; 24.401; 11.5733
90; 90; 120
5967.6Xia, 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 CIFC9 H24 Cu3 N6 O9R 3 m :H24.9131; 24.9131; 10.8608
90; 90; 120
5837.8Xia, 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 CIFC H6 B F4 N3R 3 m :H7.4241; 7.4241; 8.7784
90; 90; 120
419.02Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215989 CIFC H6 B F4 N3R 3 m :H7.4121; 7.4121; 8.65
90; 90; 120
411.6Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215990 CIFC H6 B F4 N3R 3 m :H7.4031; 7.4031; 8.5486
90; 90; 120
405.74Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215996 CIFC H6 Cl N3 O4R 3 m :H7.5595; 7.5595; 8.7694
90; 90; 120
434Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215997 CIFC H6 Cl N3 O4R 3 m :H7.5534; 7.5534; 8.6935
90; 90; 120
429.55Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215998 CIFC H6 Cl N3 O4R 3 m :H7.531; 7.531; 8.4767
90; 90; 120
416.35Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7215999 CIFC H6 Cl N3 O4R 3 m :H7.5123; 7.5123; 8.3522
90; 90; 120
408.2Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7216000 CIFC H6 Cl N3 O4R 3 m :H7.4965; 7.4965; 8.2508
90; 90; 120
401.55Szafrański, Marek
Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
CrystEngComm, 2014
7218932 CIFB3 Be3 F4 Na O9 Sr3R 3 m :H10.4466; 10.4466; 8.3093
90; 90; 120
785.3Wang, 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 CIFLi5 Na Sn4R 3 m :H4.71; 4.71; 31.72
90; 90; 120
609.404Volk, 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 CIFC12 H15 Cd3 Cl N6 O10R 3 m :H14.6793; 14.6793; 9.5183
90; 90; 120
1776.24Wang, 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 CIFB6 Br0.67 Cl0.33 K3 O10R 3 m :H10.099; 10.099; 8.858
90; 90; 120
782.39Xia, 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 CIFB6 Br0.79 Cl0.21 K3 O10R 3 m :H10.1051; 10.1051; 8.855
90; 90; 120
783.07Xia, 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 CIFB6 Br0.53 Cl0.47 K3 O10R 3 m :H10.0938; 10.0938; 8.8593
90; 90; 120
781.7Xia, 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 CIFB6 Br0.25 Cl0.75 K3 O10R 3 m :H10.0855; 10.0855; 8.8613
90; 90; 120
780.59Xia, 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 CIFB6 Br0.43 Cl0.57 K3 O10R 3 m :H10.0907; 10.0907; 8.8573
90; 90; 120
781.04Xia, 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 CIFB6 Cl K3 O10R 3 m :H10.0748; 10.0748; 8.8641
90; 90; 120
779.18Xia, 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 CIFC3 H3 Cl Li N3 O3R 3 m :H7.7079; 7.7079; 9.4483
90; 90; 120
486.135Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia
Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl
CrystEngComm, 2017, 19, 1366
7228728 CIFCs12 H20 Nb9 O130 Si3 W28R 3 m :H30.4555; 30.4555; 15.9433
90; 90; 120
12806.8Wang, 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 CIFGe0.77 Sb0.15 TeR 3 m :H4.2348; 4.2348; 10.373
90; 90; 120
161.1Felix 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 CIFC24 H27 Br3 N6R 3 m :H16.647; 16.647; 7.749
90; 90; 120
1859.7Ma, 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 CIFC37 H30 Mg2 N O14.57 PR 3 m :H25.5448; 25.5448; 21.0016
90; 90; 120
11868.3Stein, 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 CIFC6 H121 Na17 O162 Sb3 Tb3 W28R 3 m :H30.8691; 30.8691; 14.8152
90; 90; 120
12226Xu, 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 CIFC63 H81 Cl3 Cu3 N9R 3 m :H14.7196; 14.7196; 8.367
90; 90; 120
1569.97Masahara, 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 CIFC8 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 wiR 3 m :H8.4155; 8.4155; 11.6376
90; 90; 120
713.76Tang, 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 CIFAl0.42 Ca8.5 Ce1.13 Cl Fe0.93 H9.84 Mn2.13 Na34.43 O152.34 Si50.68 Sr0.77 Ti3.51 Zr3.63R 3 m :H14.153; 14.153; 60.72
90; 90; 120
10533.2Rastsvetaeva, 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 CIFNb1.95 O7.31004 Pb2.25R 3 m :H7.472; 7.472; 66.75
90; 90; 120
3227.42Bernotat-Wulf, H.; Hoffmann, W.
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117
8103689 CIFNb2 O7.44 Pb2.44R 3 m :H7.46; 7.46; 96.26
90; 90; 120
4639.32Bernotat-Wulf, H.; Hoffmann, W.
Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ
Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117
8103710 CIFIn2 S4 ZnR 3 m :H3.85; 3.85; 37.06
90; 90; 120
475.727Lappe, 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 CIFLa3.258 Mn1.1 S6R 3 m :H14.081; 14.081; 21.79999
90; 90; 120
3743.29Cenzual, 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 CIFFe1.1 La3.22 S6R 3 m :H13.983; 13.983; 21.68999
90; 90; 120
3672.74Cenzual, 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 CIFC SiR 3 m :H3.078; 3.078; 279.5
90; 90; 120
2293.24Krishna, 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 CIFNi SR 3 m :H9.476; 9.476; 3.148
90; 90; 120
244.802Kolkmeijer, 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 CIFC SiR 3 m :H3.079; 3.079; 370.0198
90; 90; 120
3037.91Ram, 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 CIFCa3 O5 SiR 3 m :H7.135; 7.135; 25.586
90; 90; 120
1128.03Nishi, F.; Takeuchi, Y.
The rhombohedral structure of tricalcium silicate at 1200 degrees C
Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 197-212
8106809 CIFC38 H45 Cl N4 O PdR 3 m :H30.1968; 30.1968; 11.4611
90; 90; 120
9050.6Wang, 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 CIFC7 Si7R 3 m :H3.073; 3.073; 52.78
90; 90; 120
431.643Ramsdell, L. S.
The crystal structure of alpha-SiC, type IV
American Mineralogist, 1944, 29, 431-442
9000029 CIFC11 Si11R 3 m :H3.073; 3.073; 82.94
90; 90; 120
678.297Ramsdell, L. S.
The crystal structure of alpha-SiC, type VI
American Mineralogist, 1944, 29, 519-525
9000031 CIFC17 Si17R 3 m :H3.073; 3.073; 128.15
90; 90; 120
1048.03Ramsdell, L. S.
The crystal structure of alpha-SiC, type V
American Mineralogist, 1946, 31, 205-205
9000035 CIFC17 Si17R 3 m :H3.073; 3.073; 128.17
90; 90; 120
1048.19Ramsdell, L. S.
Studies on silicon carbide
American Mineralogist, 1947, 32, 64-82
9000036 CIFC29 Si29R 3 m :H3.073; 3.073; 218.65
90; 90; 120
1788.16Ramsdell, L. S.
Studies on silicon carbide
American Mineralogist, 1947, 32, 64-82
9000042 CIFAl6 B3 H4 Mg3 Na O31 Si6R 3 m :H15.951; 15.951; 7.24
90; 90; 120
1595.31Hamburger, G. E.; Buerger, M. J.
The structure of tourmaline
American Mineralogist, 1948, 33, 532-540
9000216 CIFAl6 B3 F Fe3 H3 Na O30 Si6R 3 m :H15.869; 15.869; 7.188
90; 90; 120
1567.61Tippe, A.; Hamilton, W. C.
A neutron-diffraction study of the ferric tourmaline, buergerite
American Mineralogist, 1971, 56, 101-113
9000726 CIFAl5.94 B3 Ca0.36 Cr0.18 Fe0.18 H3 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11R 3 m :H15.967; 15.967; 7.191
90; 90; 120
1587.69Foit, 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 CIFAl6.966 B3 Fe1.902 H3 Na0.54 O30.333 Si5.856R 3 m :H15.963; 15.963; 7.148
90; 90; 120
1577.41Foit, F. F.
Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships
American Mineralogist, 1989, 74, 422-431
9001513 CIFAl6.078 B3 Ca0.009 Cr0.006 Fe0.612 K0.014 Mg2.274 Mn0.003 Na0.814 O34 Si6 Ti0.03R 3 m :H15.947; 15.947; 7.214
90; 90; 120
1588.78Hawthorne, 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 CIFB3 Fe9 H1.998 Na O31 Si6R 3 m :H16.186; 16.186; 7.444
90; 90; 120
1688.95Grice, 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 CIFAl6.891 B3 Fe1.599 Li0.219 Mg0.051 Mn0.24 Na0.25 O31 Si6R 3 m :H15.967; 15.967; 7.126
90; 90; 120
1573.34MacDonald, 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 CIFAl8.16 B3 Li0.84 Na0.43 O31 Si6R 3 m :H15.77; 15.77; 7.085
90; 90; 120
1525.93Selway, 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 CIFAl7.014 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 Zn0.006R 3 m :H15.939; 15.939; 7.146
90; 90; 120
1572.23Bloodaxe, 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 CIFAl6.576 B3 Ca0.031 F0.355 Fe1.764 H3.2 K0.03 Li0.021 Mg0.528 Mn0.015 Na0.608 O30.645 Si6 Ti0.081R 3 m :H15.963; 15.963; 7.154
90; 90; 120
1578.73Bloodaxe, 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 CIFAl6.072 B3 Ca0.37 Cr0.009 F0.134 Fe0.549 H3.018 K0.027 Li0.006 Mg2.538 Na0.418 O30.866 Si6 Ti0.036 V0.009R 3 m :H15.915; 15.915; 7.187
90; 90; 120
1576.49Bloodaxe, 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 CIFAl6.639 B3 Ca0.027 F0.204 Fe1.671 H3.396 K0.025 Mg0.636 Mn0.012 Na0.54 O30.796 Si6 Ti0.009 V0.006 Zn0.006R 3 m :H15.946; 15.946; 7.157
90; 90; 120
1576.03Bloodaxe, 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 CIFAl6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.029 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006R 3 m :H15.935; 15.935; 7.16
90; 90; 120
1574.52Bloodaxe, 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 CIFAl6.567 B3 Ca0.016 F0.301 Fe1.05 H3.234 K0.015 Li0.006 Mg1.305 Mn0.018 Na0.684 O30.699 Si6 Ti0.024 V0.006R 3 m :H15.934; 15.934; 7.167
90; 90; 120
1575.86Bloodaxe, 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 CIFAl6.606 B3 Ca0.017 F0.106 Fe1.047 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015R 3 m :H15.935; 15.935; 7.164
90; 90; 120
1575.4Bloodaxe, 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 CIFAl6.318 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 V0.009R 3 m :H15.945; 15.945; 7.169
90; 90; 120
1578.48Bloodaxe, 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 CIFAl5.439 B3 Ca0.368 F0.495 Fe1.158 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033R 3 m :H15.965; 15.965; 7.199
90; 90; 120
1589.06Bloodaxe, 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 CIFAl0.177 As1.19 B4 Ca8.01 Ce2.328 F8.749 Fe0.823 H La2.214 Na0.583 O38.461 P0.227 Si6 Th2.448R 3 m :H10.8112; 10.8112; 27.3296
90; 90; 120
2766.38Ballirano, 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 CIFAl4.56 B3 Ca0.48 F0.18 Fe2.04 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21R 3 m :H16.017; 16.017; 7.256
90; 90; 120
1612.09Camara, 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 CIFAl6.75 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 Zn0.03R 3 m :H15.983; 15.983; 7.152
90; 90; 120
1582.25Camara, 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 CIFAl6.78 B3 Ca0.01 F0.55 Fe0.9 H3.42 K0.01 Li0.66 Mg0.6 Na0.81 O30.45 Si5.76 Ti0.06R 3 m :H15.921; 15.921; 7.137
90; 90; 120
1566.7Camara, 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 CIFAl7.308 B3 Ca0.011 Fe0.021 H3 K0.002 Li0.378 Mn1.233 Na0.693 O31 Si5.928R 3 m :H15.9466; 15.9466; 7.1384
90; 90; 120
1572.06Ertl, 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 CIFAl7.407 B3 Ca0.032 Fe0.018 H3 K0.004 Li0.483 Mn1.143 Na0.773 O31 Si5.826 Ti0.006R 3 m :H15.941; 15.941; 7.136
90; 90; 120
1570.42Ertl, 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 CIFAl8.622 B3.648 H3 Na0.91 O31 Si5.352R 3 m :H15.7537; 15.7537; 7.0707
90; 90; 120
1519.7Hughes, 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 CIFAl8.718 B3.57 H3 Na0.92 O31 Si5.43R 3 m :H15.7713; 15.7713; 7.076
90; 90; 120
1524.24Hughes, 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 CIFAl8.904 B3.51 H3 Na0.94 O31 Si5.49R 3 m :H15.7959; 15.7959; 7.0815
90; 90; 120
1530.19Hughes, 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 CIFAl9 B3.378 H3 Na0.99 O31 Si5.622R 3 m :H15.8472; 15.8472; 7.0988
90; 90; 120
1543.91Hughes, 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 CIFAl9 B3.354 H6 Na0.9 O31 Si5.646R 3 m :H15.9013; 15.9013; 7.1213
90; 90; 120
1559.39Hughes, 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 CIFB3 Ca2.64 Ce4.41 F10 Fe0.77 H4 Na O38 P0.6 Si6.4 Th0.39 Ti0.23 Y7.56R 3 m :H10.7108; 10.7108; 27.0398
90; 90; 120
2686.45Boiocchi, 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 CIFAl8.982 B3.324 H5 Na0.484 O31 Si5.676R 3 m :H15.8031; 15.8031; 7.0877
90; 90; 120
1532.92Ertl, 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 CIFAl9 B3.39 H3 Na0.478 O31 Si5.61R 3 m :H15.8171; 15.8171; 7.0935
90; 90; 120
1536.9Ertl, 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 CIFAl7.665 B3.09 Ca0.125 F0.51 Fe0.042 H3.637 Li1.248 Mn0.045 Na0.558 O30.49 Si5.91R 3 m :H15.8232; 15.8232; 7.096
90; 90; 120
1538.62Bosi, 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 CIFAl7.23 B3.006 Ca0.021 F0.648 H3.352 K0.008 Li0.849 Mn0.897 Na0.786 O30.352 Si5.976 Ti0.033 Zn0.009R 3 m :H15.9055; 15.9055; 7.127
90; 90; 120
1561.46Bosi, 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 CIFAl7.251 B3.024 Ca0.025 F0.525 H3.388 K0.004 Li0.78 Mn0.978 Na0.776 O30.475 Si5.922 Ti0.033 Zn0.012R 3 m :H15.9137; 15.9137; 7.1302
90; 90; 120
1563.78Bosi, 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 CIFAl7.269 B3 Ca0.029 F0.538 H3.393 K0.009 Li0.711 Mn1.074 Na0.758 O30.462 Si5.904 Ti0.042R 3 m :H15.9243; 15.9243; 7.1323
90; 90; 120
1566.32Bosi, 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 CIFAl7.305 B3 Ca0.022 F0.429 H3.382 K0.003 Li0.573 Mn1.161 Na0.737 O30.571 Si5.922 Ti0.039R 3 m :H15.9303; 15.9303; 7.1341
90; 90; 120
1567.9Bosi, 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 CIFAl7.233 B3 Ca0.025 F0.388 H3.252 K0.004 Li0.444 Mn1.299 Na0.686 O30.612 Si5.982 Ti0.042R 3 m :H15.9398; 15.9398; 7.1363
90; 90; 120
1570.25Bosi, 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 CIFAl7.278 B3 Ca0.016 F0.409 H3.392 K0.007 Li0.447 Mn1.311 Na0.673 O30.591 Si5.922 Ti0.042R 3 m :H15.9461; 15.9461; 7.138
90; 90; 120
1571.87Bosi, 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 CIFAl7.606 B3 Ca0.018 F0.319 H3.762 Li1.363 Mn0.031 Na0.549 O30.681 Si6R 3 m :H15.8318; 15.8318; 7.0998
90; 90; 120
1541.12Bosi, 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 CIFAl7.587 B3 Ca0.04 F0.381 H3.632 K0.009 Li1.385 Mn0.029 Na0.515 O30.619 Si6R 3 m :H15.8343; 15.8343; 7.1007
90; 90; 120
1541.81Bosi, 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 CIFAl7.514 B3.044 F0.626 Fe0.194 H3.573 Li1.25 Mn0.043 Na0.674 O30.374 Si5.956R 3 m :H15.8468; 15.8468; 7.1058
90; 90; 120
1545.35Bosi, 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 CIFAl7.459 B3.034 F0.503 Fe0.121 H3.713 Li1.282 Mg0.125 Mn0.096 Na0.625 O30.497 Si5.966R 3 m :H15.8528; 15.8528; 7.1083
90; 90; 120
1547.06Bosi, 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 CIFAl7.356 B3.004 Ca0.032 F0.516 Fe0.106 H6.484 K0.005 Li1.107 Mn0.43 Na0.661 O33.484 Si6R 3 m :H15.8801; 15.8801; 7.1169
90; 90; 120
1554.28Bosi, 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 CIFAl7.082 B3.014 F0.754 Fe0.795 H3.332 K0.005 Li0.927 Mg0.106 Mn0.072 Na0.841 O30.246 Si5.969 Ti0.035R 3 m :H15.901; 15.901; 7.1238
90; 90; 120
1559.88Bosi, 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 CIFAl7.208 B3.026 Ca0.049 F0.542 Fe0.962 H3.355 K0.008 Li0.649 Mn0.149 Na0.823 O30.458 Si5.871 Ti0.015 Zn0.15R 3 m :H15.9285; 15.9285; 7.1286
90; 90; 120
1566.33Bosi, 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 CIFAl7.045 B3 F0.433 Fe1.438 H3.346 K0.007 Li0.299 Mg0.017 Mn0.191 Na0.649 O30.567 Si5.893 Ti0.009 Zn0.108R 3 m :H15.9569; 15.9569; 7.1369
90; 90; 120
1573.76Bosi, 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 CIFAl6.933 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 Zn0.047R 3 m :H15.9784; 15.9784; 7.1495
90; 90; 120
1580.79Bosi, 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 CIFAl6.898 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 Zn0.067R 3 m :H15.9658; 15.9658; 7.1487
90; 90; 120
1578.12Bosi, 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 CIFAl6.904 B3 Ca0.022 F0.201 Fe1.982 H3.347 K0.007 Mg0.137 Mn0.043 Na0.556 O30.799 Si5.883 Ti0.019 Zn0.033R 3 m :H15.9768; 15.9768; 7.1534
90; 90; 120
1581.33Bosi, 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 CIFAl6.757 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 Zn0.026R 3 m :H15.9825; 15.9825; 7.1596
90; 90; 120
1583.83Bosi, 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 CIFAl6.705 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 Zn0.031R 3 m :H15.9842; 15.9842; 7.1581
90; 90; 120
1583.84Bosi, 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 CIFAg0.18 Al6.981 B3 F0.47 H6.53 Mg2.121 Na0.58 O30.53 Si5.898R 3 m :H15.8995; 15.8995; 7.1577
90; 90; 120
1567.01London, 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 CIFNi SR 3 m :H9.6071; 9.6071; 3.1434
90; 90; 120
251.255Grice, J. D.; Ferguson, R. B.
Crystal structure refinement of millerite (B-NiS)
The Canadian Mineralogist, 1974, 12, 248-252
9004090 CIFAl6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06R 3 m :H15.992; 15.992; 7.19
90; 90; 120
1592.45Fortier, S.; Donnay, G.
Schorl refinement showing composition dependence of the tourmaline structure
The Canadian Mineralogist, 1975, 13, 173-177
9004203 CIFAl4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291R 3 m :H16.012; 16.012; 7.245
90; 90; 120
1608.65Grice, 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 CIFAl7.26 B3 Ca0.2 F0.66 Fe0.03 H3.34 K0.01 Li1.05 Mn0.81 Na0.67 O30.34 Si5.82 Ti0.03R 3 m :H15.932; 15.932; 7.135
90; 90; 120
1568.43Burns, 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 CIFAl7.26 B3 Ca0.2 F0.66 Fe0.03 H3.3 K0.01 Li1.05 Mn0.81 Na0.67 O30.3 Si5.82 Ti0.03R 3 m :H15.932; 15.932; 7.135
90; 90; 120
1568.43Burns, 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 CIFAl7.14 B3 Ca0.16 F0.64 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03R 3 m :H15.928; 15.928; 7.137
90; 90; 120
1568.08Burns, 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 CIFAl7.14 B3 Ca0.16 F0.66 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03R 3 m :H15.928; 15.928; 7.137
90; 90; 120
1568.08Burns, 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 CIFAl6.96 B3 Ca0.15 F0.56 Fe0.66 H3.44 K0.01 Li0.9 Mn0.48 Na0.69 O30.44 Si5.88 Ti0.12R 3 m :H15.938; 15.938; 7.133
90; 90; 120
1569.17Burns, 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 CIFAl6.96 B3 Ca0.15 F0.54 Fe0.66 H3.42 K0.01 Li0.9 Mn0.48 Na0.69 O30.42 Si5.88 Ti0.12R 3 m :H15.938; 15.938; 7.133
90; 90; 120
1569.17Burns, 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 CIFAl7.11 B3 Ca0.06 F0.65 H3.35 K0.01 Li1.05 Mn0.81 Na0.77 O30.35 Si6 Ti0.03R 3 m :H15.872; 15.872; 7.138
90; 90; 120
1557.29Burns, 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 CIFAl7.11 B3 Ca0.06 F0.66 H3.3 K0.01 Li1.05 Mn0.81 Na0.77 O30.3 Si6 Ti0.03R 3 m :H15.872; 15.872; 7.138
90; 90; 120
1557.29Burns, 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 CIFAl7.2 B3 Ca0.05 F0.56 H3.44 K0.01 Li0.99 Mn0.84 Na0.74 O30.44 Si5.94 Ti0.03R 3 m :H15.882; 15.882; 7.123
90; 90; 120
1555.98Burns, 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 CIFAl7.2 B3 Ca0.05 F0.54 H3.42 K0.01 Li0.99 Mn0.84 Na0.74 O30.42 Si5.94 Ti0.03R 3 m :H15.882; 15.882; 7.123
90; 90; 120
1555.98Burns, 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 CIFAl7.05 B3 Ca0.04 F0.68 Fe0.06 H3.32 K0.01 Li0.99 Mn0.87 Na0.77 O30.32 Si6 Ti0.03R 3 m :H15.926; 15.926; 7.106
90; 90; 120
1560.88Burns, 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 CIFAl7.05 B3 Ca0.04 F0.66 Fe0.06 H3.3 K0.01 Li0.99 Mn0.87 Na0.77 O30.3 Si6 Ti0.03R 3 m :H15.926; 15.926; 7.106
90; 90; 120
1560.88Burns, 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 CIFAl7.32 B3 Ca0.08 F0.67 Fe0.3 H3.33 Li1.23 Mn0.15 Na0.7 O30.33 Si6R 3 m :H15.802; 15.802; 7.121
90; 90; 120
1539.91Burns, 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 CIFAl7.32 B3 Ca0.08 F0.66 Fe0.3 H3.3 Li1.23 Mn0.15 Na0.7 O30.3 Si6R 3 m :H15.802; 15.802; 7.121
90; 90; 120
1539.91Burns, 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 CIFAl7.74 B3 Ca0.17 F0.52 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88R 3 m :H15.854; 15.854; 7.106
90; 90; 120
1546.8Burns, 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 CIFAl7.74 B3 Ca0.17 F0.48 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88R 3 m :H15.854; 15.854; 7.106
90; 90; 120
1546.8Burns, 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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