Crystallography Open Database
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Searching space group like 'P -4 21 m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4318146 | CIF | C68 H94 Cl3 La N16 O23 | P -4 21 m | 21.125; 21.125; 10.938 90; 90; 90 | 4881.3 | Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions Inorganic Chemistry, 2002, 41, 3375-3384 |
| 4319954 | CIF | C16 H40 Br4 Mn N2 | P -4 21 m | 13.362; 13.362; 14.411 90; 90; 90 | 2573 | F. Albert Cotton; Lee M. Daniels; Penglin Huang Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds Inorganic Chemistry, 2001, 40, 3576-3578 |
| 4320185 | CIF | Cu3 K9 Na O85 Se2 W18 | P -4 21 m | 16.7461; 16.7461; 13.9075 90; 90; 90 | 3900.1 | Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^) Inorganic Chemistry, 2001, 40, 4742-4749 |
| 4320186 | CIF | Cu3 K9 Na O85 Te2 W18 | P -4 21 m | 16.6529; 16.6529; 14.018 90; 90; 90 | 3887.5 | Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^) Inorganic Chemistry, 2001, 40, 4742-4749 |
| 4321982 | CIF | F4 Li O2 Re | P -4 21 m | 4.727; 4.727; 8.88 90; 90; 90 | 198.4 | William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN Inorganic Chemistry, 1999, 38, 2340-2358 |
| 4326875 | CIF | C13 H22 B N5 | P -4 21 m | 11.9402; 11.9402; 5.5735 90; 90; 90 | 794.6 | Magdalena Marszalek; Zhaofu Fei; Dun-Ru Zhu; Rosario Scopelliti; Paul J. Dyson; Shaik Mohammed Zakeeruddin; Michael Grätzel Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]- or Tetracyanoborate [B(CN)4]- Anions in Dye-Sensitized Solar Cells Inorganic Chemistry, 2011, 50, 11561-11567 |
| 4327186 | CIF | Eu2 Ga2 Ge S7 | P -4 21 m | 9.6376; 9.6376; 6.3085 90; 90; 90 | 585.95 | Mei-Chun Chen; Peng Li; Liu-Jiang Zhou; Long-Hua Li; Ling Chen Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared Inorganic Chemistry, 2011, 50, 12402-12404 |
| 4328646 | CIF | Ge2 Mn O7 Sr2 | P -4 21 m | 8.0677; 8.0677; 5.3891 90; 90; 90 | 350.76 | Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co) Inorganic Chemistry, 2012, 51, 3572-3578 |
| 4328647 | CIF | Ge2 Mn O7 Sr2 | P -4 21 m | 8.28708; 8.28708; 5.31891 90; 90; 90 | 365.28 | Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co) Inorganic Chemistry, 2012, 51, 3572-3578 |
| 4328648 | CIF | Co Ge2 O7 Sr2 | P -4 21 m | 8.16939; 8.16939; 5.32529 90; 90; 90 | 355.404 | Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co) Inorganic Chemistry, 2012, 51, 3572-3578 |
| 4328649 | CIF | Ge2 O7 Sr2 Zn | P -4 21 m | 8.15281; 8.15281; 5.3267 90; 90; 90 | 354.057 | Takashi Endo; Yoshihiro Doi; Yukio Hinatsu; Kenji Ohoyama Magnetic and Neutron Diffraction Study on Melilite-Type Oxides Sr2MGe2O7 (M = Mn, Co) Inorganic Chemistry, 2012, 51, 3572-3578 |
| 4329293 | CIF | Ca1.033 Ga3 La0.967 O7 | P -4 21 m | 7.9386; 7.9386; 5.2641 90; 90; 90 | 331.75 | Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte Inorganic Chemistry, 2012, 51, 5941-5949 |
| 4331444 | CIF | B F8 N | P -4 21 m | 9.92; 9.92; 6.23 90; 90; 90 | 613.072 | Fawcett, J.; Christe, K.O.; Russell, D.R.; Thorup, N.; David, L.M. Crystal structure of (N F4)(+) salts Inorganic Chemistry, 1988, 27, 2450-2454 |
| 4333937 | CIF | C8 H7 F N3 S4 | P -4 21 m | 15.956; 15.956; 4.2769 90; 90; 90 | 1088.87 | Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley Bisdithiazolyl Radical Spin Ladders Inorganic Chemistry, 2013, 52, 2188-2198 |
| 4340535 | CIF | C13 H25 N O14 U2 | P -4 21 m | 12.3383; 12.3383; 8.1137 90; 90; 90 | 1235.18 | Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song [(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties. Inorganic chemistry, 2014, 53, 8708-8716 |
| 4340536 | CIF | C13 H25 N O14 U2 | P -4 21 m | 12.3262; 12.3262; 8.0856 90; 90; 90 | 1228.49 | Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song [(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties. Inorganic chemistry, 2014, 53, 8708-8716 |
| 4341276 | CIF | Ce Ga3 O7.38 Sr | P -4 21 m | 8.02391; 8.02391; 5.23601 90; 90; 90 | 337.111 | Xu, Jungu; Kuang, Xiaojun; Véron, Emmanuel; Allix, Mathieu; Suchomel, Matthew R.; Porcher, Florence; Liang, Chaolun; Pan, Fengjuan; Wu, Mingmei Localization of Oxygen Interstitials in CeSrGa3O7+δ Melilite. Inorganic chemistry, 2014, 53, 11589-11597 |
| 4345215 | CIF | Ge2 Mn O S6 Sr2 | P -4 21 m | 9.5206; 9.5206; 6.2002 90; 90; 90 | 561.997 | Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution. Inorganic chemistry, 2017, 56, 2459-2466 |
| 4345216 | CIF | Ge2 O S6 Sr2 Zn | P -4 21 m | 9.4311; 9.4311; 6.1845 90; 90; 90 | 550.084 | Endo, Takashi; Doi, Yoshihiro; Wakeshima, Makoto; Suzuki, Keita; Matsuo, Yasutaka; Tezuka, Keitaro; Ohtsuki, Takuya; Shan, Yue Jin; Hinatsu, Yukio Magnetic Properties of the Melilite-Type Oxysulfide Sr2MnGe2S6O: Magnetic Interactions Enhanced by Anion Substitution. Inorganic chemistry, 2017, 56, 2459-2466 |
| 4345238 | CIF | C37 H19 N6 O12 Zn3 | P -4 21 m | 26.6257; 26.6257; 20.2942 90; 90; 90 | 14387.1 | Jia, Xiao-Xia; Yao, Ru-Xin; Zhang, Fu-Qiang; Zhang, Xian-Ming A Fluorescent Anionic MOF with Zn4(trz)2 Chain for Highly Selective Visual Sensing of Contaminants: Cr(III) Ion and TNP. Inorganic chemistry, 2017, 56, 2690-2696 |
| 4503946 | CIF | C36 H44 Cl4 Cu6 N24 O4 | P -4 21 m | 16.8267; 16.8267; 8.9583 90; 90; 90 | 2536.4 | Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels Crystal Growth & Design, 2007, 7, 676 |
| 5000232 | CIF | Ca2 O7 Si2 Zn | P -4 21 m | 7.8279; 7.8279; 5.0138 90; 90; 90 | 307.2 | Louisnathan, S J Refinemente of the crystal structure of Hardystonite, Ca2 Zn Si2 O7 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 427-437 |
| 5900002 | CIF | C H4 N2 O | P -4 21 m | 5.67; 5.67; 4.726 90; 90; 90 | 151.94 | Strukturbericht, 3, 660 |
| 6000277 | CIF | N Na3 O3 | P -4 21 m | 6.4535; 6.4535; 4.6197 90; 90; 90 | 192.4 | Klosters, G.; Jansen, M. Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2 Journal of Solid State Chemistry, 1999, 145, 267-275 |
| 6000325 | CIF | N4 O3 Si3 Sm2 | P -4 21 m | 7.6889; 7.6889; 4.996 90; 90; 90 | 295.36 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 6000326 | CIF | Al0.5 Ce2 N3.5 O3.5 Si2.5 | P -4 21 m | 7.792; 7.792; 5.0694 90; 90; 90 | 307.79 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 6000327 | CIF | Al0.5 N3.5 O3.5 Pr2 Si2.5 | P -4 21 m | 7.7826; 7.7826; 5.0856 90; 90; 90 | 308.03 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 6000328 | CIF | Al0.5 N3.5 Nd2 O3.5 Si2.5 | P -4 21 m | 7.7615; 7.7615; 5.067 90; 90; 90 | 305.24 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 6000329 | CIF | Al0.5 N3.5 O3.5 Si2.5 Sm2 | P -4 21 m | 7.7263; 7.7263; 5.028 90; 90; 90 | 300.15 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 6000330 | CIF | Al0.5 Gd2 N3.5 O3.5 Si2.5 | P -4 21 m | 7.7415; 7.7415; 5.0646 90; 90; 90 | 303.53 | Lauterbach, R.; Schnick, W. Sm2Si3O3N4 and Ln(2)Si(2.5)Al(0.5)O(3.5)N(3.5) (Ln = Ce, Pr, Nd, Sm, Gd) - a novel synthetic approach for the preparation of N-containing melilites and X-ray single-crystal structure determination Zeitschrift Fur Anorganische Und Allgemeine Chemie, 1999, 625, 429-434 |
| 7003726 | CIF | C44 H60 Al2 N4 | P -4 21 m | 15.2; 15.2; 9.0022 90; 90; 90 | 2079.9 | Yao, Wei; Mu, Ying; Gao, Aihong; Gao, Wei; Ye, Ling Bimetallic anilido-aldimine Al or Zn complexes for efficient ring-opening polymerization of ε-caprolactone Dalton Transactions, 2008, 3199-3206 |
| 7008003 | CIF | C4 H2 Cl4 O P2 | P -4 21 m | 9.0431; 9.0431; 6.2387 90; 90; 90 | 510.19 | Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert Synthesis and auration of primary and di-primary heteroaryl-phosphines. Dalton transactions (Cambridge, England : 2003), 2005, 247-255 |
| 7011248 | CIF | C9 H12 Mn O | P -4 21 m | 7.729; 7.729; 7.167 90; 90; 90 | 428.1 | Guido J. Reiß; Stefan Konietzny How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes? J. Chem. Soc., Dalton Trans., 2002, 862-864 |
| 7011249 | CIF | C9 H12 Mn O | P -4 21 m | 7.8215; 7.8215; 7.2234 90; 90; 90 | 441.9 | Guido J. Reiß; Stefan Konietzny How realistic are alternating C‒C-bond lengths in s-cis-1,3-butadiene transition metal complexes? J. Chem. Soc., Dalton Trans., 2002, 862-864 |
| 7014404 | CIF | C13 H26 Cl6 Ge2 Se4 | P -4 21 m | 15.6517; 15.6517; 5.2707 90; 90; 90 | 1291.2 | Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure. Dalton transactions (Cambridge, England : 2003), 2011, 40, 694-700 |
| 7015227 | CIF | C0.2 H2.3 Ag1.25 N0.1 O0.75 Rb0.65 Se3 Sn | P -4 21 m | 13.998; 13.998; 8.6852 90; 90; 90 | 1701.8 | Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003), 2011, 40, 4387-4390 |
| 7015228 | CIF | C1.5 H6 Ag1.25 N0.75 Se3 Sn | P -4 21 m | 13.8051; 13.8051; 9.6707 90; 90; 90 | 1843 | Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003), 2011, 40, 4387-4390 |
| 7015229 | CIF | C0.1 H0.9 Ag1.25 Cs0.7 N0.05 O0.25 Se3 Sn | P -4 21 m | 13.9886; 13.9886; 8.8534 90; 90; 90 | 1732.4 | Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003), 2011, 40, 4387-4390 |
| 7015230 | CIF | C0.5 H5 Ag1.25 N0.75 O0.5 Se3 Sn | P -4 21 m | 13.9087; 13.9087; 8.8618 90; 90; 90 | 1714.33 | Li, Jian-Rong; Huang, Xiao-Ying [(Me)2NH2](0.75)[Ag(1.25)SnSe3]: a three-dimensionally microporous chalcogenide exhibiting framework flexibility upon ion-exchange. Dalton transactions (Cambridge, England : 2003), 2011, 40, 4387-4390 |
| 7021288 | CIF | C72 H109 N6 Si6 U2 | P -4 21 m | 23.0405; 23.0405; 15.9177 90; 90; 90 | 8450.14 | Patel, Dipti; Tuna, Floriana; McInnes, Eric J L; McMaster, Jonathan; Lewis, William; Blake, Alexander J; Liddle, Stephen T A triamido-uranium(V) inverse-sandwich 10π-toluene tetraanion arene complex. Dalton transactions (Cambridge, England : 2003), 2013, 42, 5224-5227 |
| 7024052 | CIF | C10 H8 Cd N2 O4 S | P -4 21 m | 6.8212; 6.8212; 11.838 90; 90; 90 | 550.81 | Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan Synthesis, structure, transformation studies and catalytic properties of open-framework cadmium thiosulfate compounds. Dalton transactions (Cambridge, England : 2003), 2010, 39, 2263-2279 |
| 7024705 | CIF | C15 H15 B Cl2 N10 Zn2 | P -4 21 m | 13.057; 13.057; 6.5702 90; 90; 90 | 1120.12 | Chen, Shumei; Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui Zinc(II)-boron(III)-imidazolate framework (ZBIF) with unusual pentagonal channels prepared from deep eutectic solvent. Dalton transactions (Cambridge, England : 2003), 2010, 39, 697-699 |
| 7031042 | CIF | C31 H32 N4.67 S2 | P -4 21 m | 16.67987; 16.67987; 15.01274 90; 90; 90 | 4176.82 | Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids? Dalton transactions (Cambridge, England : 2003), 2014, 43, 11027-11038 |
| 7041079 | CIF | C18 H28 O2 Zr | P -4 21 m | 8.5606; 8.5606; 12.9538 90; 90; 90 | 949.3 | Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W. Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18635-18642 |
| 7041080 | CIF | C18 H28 Hf O2 | P -4 21 m | 8.4676; 8.4676; 12.8196 90; 90; 90 | 919.17 | Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W. Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18635-18642 |
| 7047315 | CIF | Eu2 Mg O7 Si2 | P -4 21 m | 8.0305; 8.0305; 5.1718 90; 90; 90 | 333.52 | Chi, Yang; Xue, Huai-Guo; Guo, Sheng-Ping The first investigation of europium silicate melilite for second-order nonlinear optical application: experimental and theoretical studies. Dalton transactions (Cambridge, England : 2003), 2018, 47, 13434-13441 |
| 7051329 | CIF | C4 H14 Br N3 | P -4 21 m | 8.6698; 8.6698; 5.2977 90; 90; 90 | 398.2 | New Journal of Chemistry, 2000 |
| 7054114 | CIF | Mo3 O12 Y2 | P -4 21 m | 7.2927; 7.2927; 10.5726 90; 90; 90 | 562.29 | Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7] New Journal of Chemistry, 2013, 37, 1919 |
| 7063440 | CIF | Ba Se3 | P -4 21 m | 7.2871; 7.2871; 4.2516 90; 90; 90 | 225.77 | Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study New Journal of Chemistry, 2024, 48, 16869-16876 |
| 7100885 | CIF | C26 H51 Br Cl2 Fe2 N10 O9 | P -4 21 m | 15.094; 15.094; 8.1109 90; 90; 90 | 1847.9 | Pitarch Lopez, J.; Kampf, H.; Heinemann, F. W.; Prakash, R.; Grohmann, A. A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge Chemical Communications, 2006 |
| 7106531 | CIF | C76 H48 Cl5 F20 N6 | P -4 21 m | 21.411; 21.411; 7.5217 90; 90; 90 | 3448.2 | Se-Young Kee; Jong Min Lim; Soo-Jin Kim; Jaeduk Yoo; Jung-Su Park; Tridib Sarma; Vincent M. Lynch; Pradeepta K. Panda; Jonathan L. Sessler; Dongho Kim; Chang-Hee Lee Conformational and spectroscopic properties of p-extended, bipyrrole-fused rubyrin and sapphyrin derivatives Chem.Commun., 2011, 47, 6813 |
| 7107259 | CIF | C45 H30 O16 Zn4 | P -4 21 m | 17.2215; 17.2215; 17.1168 90; 90; 90 | 5076.5 | Rajesh K. Deshpande; Geoffrey I. N. Waterhouse; Geoffrey B. Jameson; Shane G. Telfer Photolabile protecting groups in metal-organic frameworks: preventing interpenetration and masking functional groups Chem.Commun., 2012, 48, 1574 |
| 7116071 | CIF | C88 H109.36 Cl1.36 O8 S8 | P -4 21 m | 19.378; 19.378; 12.1215 90; 90; 90 | 4551.7 | Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour Diffusion of vaporous guests into a seemingly non-porous organic crystal Chem.Commun., 2014, 50, 15509 |
| 7116072 | CIF | C88 H113.08 Cl0.2 O8.44 S8 | P -4 21 m | 19.3652; 19.3652; 12.1189 90; 90; 90 | 4544.7 | Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour Diffusion of vaporous guests into a seemingly non-porous organic crystal Chem.Commun., 2014, 50, 15509 |
| 7116073 | CIF | C88 H112 I0.8 O8 S8 | P -4 21 m | 19.544; 19.544; 11.924 90; 90; 90 | 4554.6 | Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour Diffusion of vaporous guests into a seemingly non-porous organic crystal Chem.Commun., 2014, 50, 15509 |
| 7116074 | CIF | C88 H113 I0.8 O9 S8 | P -4 21 m | 19.523; 19.523; 11.9511 90; 90; 90 | 4555.1 | Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour Diffusion of vaporous guests into a seemingly non-porous organic crystal Chem.Commun., 2014, 50, 15509 |
| 7118915 | CIF | C145 H161 Co24 N9 O101 | P -4 21 m | 27.646; 27.646; 17.306 90; 90; 90 | 13227 | Liang, Guang-Ming; Ni, Qing-Ling; Zou, Hua-Hong; Gui, Liu-Cheng; Wang, Xiu-Jian Rare double spin canting antiferromagnetic behaviours in a [Co24] cluster. Chemical communications (Cambridge, England), 2016, 52, 5293-5296 |
| 7120460 | CIF | C14 H31 Co F12 N5 P2 | P -4 21 m | 9.1662; 9.1662; 14.722 90; 90; 90 | 1236.9 | Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes Chem. Commun., 2017 |
| 7124379 | CIF | C0.75 H4.5 Cu1.25 Ge N0.75 Se3 | P -4 21 m | 12.9345; 12.9345; 8.9057 90; 90; 90 | 1489.94 | Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property Chemical Communications, 2019 |
| 7124380 | CIF | C0.05 H0.8 Cs0.7 Cu1.25 Ge N0.05 O0.25 Se3 | P -4 21 m | 12.9557; 12.9557; 8.728 90; 90; 90 | 1465 | Liu, Hua-Wei; Wang, Kai-Yao; Ding, Dong; Sun, Meng; Cheng, Lin; Wang, Cheng Deep Eutectic Solvothermal Synthesis of an Open Framework Copper Selenidogermanate with pH-resistant Cs+ Ion Exchange Property Chemical Communications, 2019 |
| 7125144 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 16.3764; 16.3764; 4.1533 90; 90; 90 | 1113.86 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125145 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 16.2024; 16.2024; 4.004 90; 90; 90 | 1051.1 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125146 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 16.0383; 16.0383; 3.8839 90; 90; 90 | 999 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125147 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.9987; 15.9987; 3.87 90; 90; 90 | 990.6 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125148 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.9908; 15.9908; 3.8382 90; 90; 90 | 981.4 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125149 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.9014; 15.9014; 3.784 90; 90; 90 | 956.8 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125150 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.8651; 15.8651; 3.765 90; 90; 90 | 947.7 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125151 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.7336; 15.7336; 3.7167 90; 90; 90 | 920.1 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125152 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.7128; 15.7128; 3.6914 90; 90; 90 | 911.4 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125153 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.6976; 15.6976; 3.6631 90; 90; 90 | 902.6 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125154 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 15.6831; 15.6831; 3.6436 90; 90; 90 | 896.2 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7125155 | CIF | C7 H5 I N3 Se4 | P -4 21 m | 16.4704; 16.4704; 4.2345 90; 90; 90 | 1148.71 | Lekin, Kristina; Ogata, Kazuma; Maclean, Adrian; Mailman, Aaron; Winter, Stephen M.; Assoud, Abdeljalil; Mito, Masaki; Tse, John S.; Desgreniers, Serge; Hirao, Naohisa; Dube, Paul A.; Oakley, Richard T. Pushing T<sub>C</sub> to 27.5 K in a heavy atom radical ferromagnet. Chemical communications (Cambridge, England), 2016, 52, 13877-13880 |
| 7126022 | CIF | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U. Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years. Chemical communications (Cambridge, England), 2020, 56, 3520-3523 |
| 7126250 | CIF | C4 H12 Cl2 Ga N | P -4 21 m | 9.2755; 9.2755; 5.8368 90; 90; 90 | 502.17 | Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs. Chemical communications (Cambridge, England), 2020, 56, 4894-4897 |
| 7126251 | CIF | C4 H12 Cl2 In N | P -4 21 m | 9.2807; 9.2807; 5.8414 90; 90; 90 | 503.128 | Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX<sub>2</sub>]<sup>-</sup> coordination units and quasi-two-dimensional lone pairs. Chemical communications (Cambridge, England), 2020, 56, 4894-4897 |
| 7127207 | CIF | C51 H33 N3 O13 Zn4 | P -4 21 m | 17.2; 17.2; 17.2 90; 90; 90 | 5088.4 | Fishburn, Mitchell G.; Skelton, Dayne R.; Telfer, Shane G.; Wagner, Pawel; Richardson, Christopher Second-order programming the synthesis of metal-organic frameworks. Chemical communications (Cambridge, England), 2020, 56, 12355-12358 |
| 7128970 | CIF | C7 H5 Cl N3 Se4 | P -4 21 m | 16.1915; 16.1915; 4.0757 90; 90; 90 | 1068.5 | Robertson, Craig M.; Winter, Stephen M.; Howard, Judith A. K.; Probert, Michael R.; Oakley, Richard T. Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet. Chemical communications (Cambridge, England), 2021, 57, 10238-10241 |
| 7129360 | CIF | C73 H104 B2 Cl2 Ge2 N4 Si4 | P -4 21 m | 18.172; 18.172; 11.769 90; 90; 90 | 3886.4 | Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P. Borole-based half-sandwich complexes of germanium and tin Chemical Communications, 2021 |
| 7158650 | CIF | C21 H26 Co N2 O5 | P -4 21 m | 20.4662; 20.4662; 5.0315 90; 90; 90 | 2107.52 | Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A. Synthesis of acyloin natural products by Mukaiyama hydration. Organic & biomolecular chemistry, 2022, 20, 4038-4047 |
| 7202908 | CIF | Ga Nb4 S8 | P -4 21 m | 9.9917; 9.9917; 9.978 90; 90; 90 | 996.1 | Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer Structural and magnetic transitions in the Mott insulator GaNb4S8 Journal of Materials Chemistry, 2007, 17, 3833 |
| 7204283 | CIF | C16 H2 F12 N4 O6 Os2 | P -4 21 m | 11.9181; 11.9181; 8.2009 90; 90; 90 | 1164.86 | Chi, Yun; Yu, Huan-Li; Ching, Wei-Li; Liu, Chao-Shiuan; Chen, Yao-Lun; Chou, Tsung-Yi; Peng, Shie-Ming; Lee, Gene-Hsiang Deposition of osmium thin films using pyrazolate complexes as CVD source reagents Journal of Materials Chemistry, 2002, 12, 1363 |
| 7204667 | CIF | C12 H8 Cd N2 O4 S | P -4 21 m | 6.8307; 6.8307; 14.404 90; 90; 90 | 672.07 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7214571 | CIF | Br4 Cu H12 N2 O2 | P -4 21 m | 7.9005; 7.9005; 8.1982 90; 90; 90 | 511.71 | Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498 |
| 7214573 | CIF | Br4 Cu H12 N2 O2 | P -4 21 m | 7.869; 7.869; 8.248 90; 90; 90 | 510.73 | Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498 |
| 7218400 | CIF | Cu4 H23 N0 Na2 O76 Sb2 W18 | P -4 21 m | 16.466; 16.466; 14.115 90; 90; 90 | 3827 | Xue, Xiaolong; Zhao, Xiaofang; Zhang, Deshun; Han, Zhangang; Yu, haitao; Zhai, Xueliang Synthesis of a Novel CuI/CuII-containing Sandwich-type Cluster and Its Catalytic Electron Transfer Property RSC Adv., 2014 |
| 7221384 | CIF | Ba2 Ge2 O S6 Zn | P -4 21 m | 9.6359; 9.6359; 6.4506 90; 90; 90 | 598.942 | Teske, C.L. Ba2 Zn Ge2 S6 O: Ein neues Oxidsulfid mit Tetraedergerueststruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1980, 35, 672-675 |
| 7221478 | CIF | Ba Se3 | P -4 21 m | 7.2802; 7.2802; 4.2495 90; 90; 90 | 225.229 | Hulliger, F.; Siegrist, T. The Crystal Structures of Ba Se2 and Ba Se3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1981, 36, 14-15 |
| 7222819 | CIF | B6 Cs2 H4 N2 O4 | P -4 21 m | 10.0656; 10.0656; 11.0127 90; 90; 90 | 1115.77 | Franken, A.; Preetz, W. Darstellung, 11B-NMR- und Schwingungsspektren von cis-Dinitrotetrahydro-closo-hexaborate(2-), cis-(B6 H4 (N O2)2)2sowie Kristallstruktur von cis-Cs2 (B6 H4 (N O2)2) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 1030-1034 |
| 7223883 | CIF | C296 H264 B11 Co4 F80 N80 Na O16 P6 Ru4 | P -4 21 m | 31.3553; 31.3553; 21.721 90; 90; 90 | 21355.1 | Metherell, Alexander; Ward, Michael D. Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks RSC Adv., 2016 |
| 7224458 | CIF | C42.54 H45.07 Cl1.07 O6 | P -4 21 m | 13.8543; 13.8543; 9.9079 90; 90; 90 | 1901.7 | Slavík, Petr; Eigner, Václav; Lhoták, Pavel Shaping of calix[4]arenes via double bridging of the upper rim CrystEngComm, 2016, 18, 4964 |
| 7233205 | CIF | Cd Mo O6 Te | P -4 21 m | 5.286; 5.286; 9.066 90; 90; 90 | 253.32 | Sangen Zhao; Xingxing Jiang; Ran He; Shu-quan Zhang; Zhihua Sun; Junhua Luo; Zheshuai Lin; Maochun Honga A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO6 Journal of Materials Chemistry C, 2013, 1, 2906-2912 |
| 7234287 | CIF | C6 H8 Mn N2 O6 | P -4 21 m | 8.8169; 8.8169; 6.4562 90; 90; 90 | 501.89 | Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture Journal of Materials Chemistry C, 2015, 3, 6350-6358 |
| 7236897 | CIF | C60 H88 B4 Fe2 N24 O0 | P -4 21 m | 20.669; 20.669; 8.603 90; 90; 90 | 3675.3 | Iasco, O.; Boillot, M.-L.; Bellec, A.; Guillot, R.; Rivière, E.; Mazerat, S.; Nowak, S.; Morineau, D.; Brosseau, A.; Miserque, F.; Repain, V.; Mallah, T. The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(ii) molecules Journal of Materials Chemistry C, 2017, 5, 11067 |
| 7240931 | CIF | C48 H30 O16 Zn4 | P -4 21 m | 17.212; 17.212; 17.168 90; 90; 90 | 5086.1 | Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity CrystEngComm, 2020 |
| 7240932 | CIF | C48 H36 O16 Zn4 | P -4 21 m | 17.1805; 17.1805; 17.1173 90; 90; 90 | 5052.5 | Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity CrystEngComm, 2020 |
| 7242958 | CIF | C10 H16 Ag N5 O3 S2 | P -4 21 m | 13.1512; 13.1512; 4.3773 90; 90; 90 | 757.07 | Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815 |
| 7242959 | CIF | C10 H16 Ag Cl N4 O4 S2 | P -4 21 m | 13.1198; 13.1198; 4.686 90; 90; 90 | 806.6 | Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior CrystEngComm, 2021, 23, 4799-4815 |
| 7245028 | CIF | Cd Ge2 O S6 Sr2 | P -4 21 m | 9.608; 9.608; 6.2085 90; 90; 90 | 573.13 | Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials RSC Advances, 2022, 12, 16296-16300 |
| 7245029 | CIF | Ge2 O S6 Sr2 Zn | P -4 21 m | 9.4322; 9.4322; 6.1813 90; 90; 90 | 549.93 | Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials RSC Advances, 2022, 12, 16296-16300 |
| 7249574 | CIF | Eu2 Ge2 O S6 Zn | P -4 21 m | 9.3838; 9.3838; 6.1509 90; 90; 90 | 541.62 | Wang, Guili; Wu, Wentian; Li, Chunxiao; Yao, Jiyong Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units CrystEngComm, 2024, 26, 6683-6687 |
| 7707971 | CIF | C24 H40 Cl2 Cu2 N2 O2 P2 | P -4 21 m | 13.1203; 13.1203; 8.6767 90; 90; 90 | 1493.63 | Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L. Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes. Dalton transactions (Cambridge, England : 2003), 2021, 50, 11909-11917 |
| 7707975 | CIF | C24 H40 Cu2 I2 N2 O2 P2 | P -4 21 m | 13.1956; 13.1956; 8.8786 90; 90; 90 | 1545.98 | Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L. Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes. Dalton transactions (Cambridge, England : 2003), 2021, 50, 11909-11917 |
| 7711733 | CIF | C74 H88 Cl5 Cu4 N12 Na O34 | P -4 21 m | 25.0069; 25.0069; 8.2746 90; 90; 90 | 5174.5 | Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K. Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles Dalton Transactions, 2022 |
| 7712999 | CIF | C3 H15 Br4 Cu N6 | P -4 21 m | 13.4047; 13.4047; 8.4141 90; 90; 90 | 1511.9 | Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B. Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations. Dalton transactions (Cambridge, England : 2003), 2023 |
| 7713572 | CIF | C14 H32 Br4 Mn N2 | P -4 21 m | 12.8275; 12.8275; 14.194 90; 90; 90 | 2335.55 | Wu, Ling-Kun; Zou, Qing-Hua; Yao, Hai-Quan; Ye, Heng-Yun; Li, Jian-Rong Zero-Dimensional Organic-Inorganic Hybrid Manganese Bromide with Coexistence of Dielectric−Thermal Double Switches and Efficient Photoluminescence Dalton Transactions, 2023 |
| 7715889 | CIF | C19 H68 B17 Mg N9 O28 | P -4 21 m | 16.1163; 16.1163; 10.0685 90; 90; 90 | 2615.1 | Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters. Dalton transactions (Cambridge, England : 2003), 2024, 53, 8112-8117 |
| 8102078 | CIF | C5 H5 N3 O7 | P -4 21 m | 13.113; 13.113; 4.941 90; 90; 90 | 849.6 | Tang, F.-Y.; She, J.-B.; Li, J.-Z.; Zhang, G.-F.; Zahn, G. Crystal structure of 4-oxo-3,5-dinitropyridine-N-hydroxide monohydrate, C~5~NH~2~(NO~2~)~2~O(OH) · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 539-540 |
| 8103583 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8258; 7.8258; 5.0148 90; 90; 90 | 307.122 | Riester, M.; Boehm, H.; Petricek, V. The commensurately modulated structure of the lock-in phase of synthetic Co-akermanite, Ca2 Co Si2 O7 Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 102-109 |
| 8103931 | CIF | Ga3 La O7 Sr | P -4 21 m | 8.056; 8.056; 5.3332 90; 90; 90 | 346.12 | Steins, M.; Schmitz, W.; Doerschel, J.; Uecker, R. Crystal structure of strontium lanthanum trigallium heptoxide, (Sr0.5 La0.5)2 Ga3 O7 Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 76-76 |
| 8104753 | CIF | C17 H30 N2 | P -4 21 m | 8.6755; 8.6755; 11.1611 90; 90; 90 | 840.03 | Hosten, Eric C.; Betz, Richard The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C17H30N2 Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 515-517 |
| 8106278 | CIF | B3 H1.4 In1.2 O7 | P -4 21 m | 6.6969; 6.6969; 4.4865 90; 90; 90 | 201.21 | Vitzthum, Daniela; Huppertz, Hubert The crystal structure of In1.2B3O5.6(OH)1.4 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 733-734 |
| 9000055 | CIF | Al0.4 Ca1.7 K0.1 Mg0.5 Na0.2 O7 Si2 | P -4 21 m | 7.789; 7.789; 5.018 90; 90; 90 | 304.435 | Smith, J. V. Reexamination of the crystal structure of melilite American Mineralogist, 1953, 38, 643-661 |
| 9001284 | CIF | Ca2 Ge2 O7 Zn | P -4 21 m | 7.95; 7.95; 5.186 90; 90; 90 | 327.768 | Armbruster, T.; Rothlisberger, F.; Seifert, F. Layer topology, stacking variation and site distortion in melilite-related compounds in the system CaO-ZnO-GeO2-SiO2 high-temperature polymorph Ca2ZnGe2O7 American Mineralogist, 1990, 75, 847-858 |
| 9001287 | CIF | Al2 Cl K3 O10 Si3 | P -4 21 m | 9.7553; 9.7553; 6.4877 90; 90; 90 | 617.408 | Ghose, S.; Yang, H.; Weidner, J. R. Crystal growth and structure of K2Al2Si3O10*KCl: A new anhydrous zeolite-type phase with the edingtonite framework American Mineralogist, 1990, 75, 947-950 |
| 9002500 | CIF | B2 Ca2 O7 Si | P -4 21 m | 7.1248; 7.1248; 4.8177 90; 90; 90 | 244.56 | Giuli, G.; Bindi, L.; Bonazzi, P. Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the B/Si ordered distribution American Mineralogist, 2000, 85, 1512-1515 |
| 9002568 | CIF | Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85 | P -4 21 m | 7.8; 7.8; 5 90; 90; 90 | 304.2 | Bindi, L.; Bonazzi, P.; Rothlisberger, F. Hardystonite from Franklin Furnace: A natural modulated melilite American Mineralogist, 2001, 86, 747-751 |
| 9003439 | CIF | Al1.96 Ba0.94 H8 O13.54 Si3.04 | P -4 21 m | 9.5909; 9.5909; 6.5339 90; 90; 90 | 601.023 | Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F. Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in air American Mineralogist, 2004, 89, 633-639 |
| 9003440 | CIF | Al1.96 Ba0.91 H8 O13.32 Si3.04 | P -4 21 m | 9.5909; 9.5909; 6.5339 90; 90; 90 | 601.023 | Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F. Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in diamond cell American Mineralogist, 2004, 89, 633-639 |
| 9003441 | CIF | Al1.96 Ba0.88 H8 O13.32 Si3.04 | P -4 21 m | 9.4669; 9.4669; 6.4765 90; 90; 90 | 580.438 | Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F. Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 2.285 GPa American Mineralogist, 2004, 89, 633-639 |
| 9003442 | CIF | Al1.96 Ba0.89 H7.68 O13.32 Si3.04 | P -4 21 m | 9.3466; 9.3466; 6.42705 90; 90; 90 | 561.46 | Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F. Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 4.611 GPa American Mineralogist, 2004, 89, 633-639 |
| 9004071 | CIF | Al0.729 Ca0.968 O5.265 Si0.488 | P -4 21 m | 7.716; 7.716; 5.089 90; 90; 90 | 302.982 | Louisnathan S J Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7 The Canadian Mineralogist, 1971, 10, 822-837 |
| 9005464 | CIF | Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 | P -4 21 m | 7.754; 7.754; 5.101 90; 90; 90 | 306.695 | Bindi, L.; Bonazzi, P.; Fitton, J. G. Crystal chemistry of strontian soda melilite from nephelinite lava of Mt. Etinde, Cameroon Sample: ET1 European Journal of Mineralogy, 2001, 13, 121-125 |
| 9005465 | CIF | Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 | P -4 21 m | 7.764; 7.764; 5.095 90; 90; 90 | 307.125 | Bindi, L.; Bonazzi, P.; Fitton, J. G. Crystal chemistry of strontian soda melilite from nephelinite lave of Mt. Etinde, Cameroon Sample: ET2 European Journal of Mineralogy, 2001, 13, 121-125 |
| 9006112 | CIF | Al2.06 Ca2 O7 Si0.95 | P -4 21 m | 7.685; 7.685; 5.0636 90; 90; 90 | 299.052 | Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A. Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: O% Ak Physics and Chemistry of Minerals, 1992, 19, 185-195 |
| 9006113 | CIF | Al1.54 Ca2 Mg0.21 O7 Si1.24 | P -4 21 m | 7.7115; 7.7115; 5.0498 90; 90; 90 | 300.298 | Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A. Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 25% Ak Physics and Chemistry of Minerals, 1992, 19, 185-195 |
| 9006114 | CIF | Al0.99 Ca2 Mg0.46 O7 Si1.52 | P -4 21 m | 7.7475; 7.7475; 5.0359 90; 90; 90 | 302.274 | Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A. Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 50% Ak Physics and Chemistry of Minerals, 1992, 19, 185-195 |
| 9006115 | CIF | Al0.51 Ca2 Mg0.71 O7 Si1.74 | P -4 21 m | 7.7853; 7.7853; 5.0211 90; 90; 90 | 304.333 | Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A. Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 75% Ak Physics and Chemistry of Minerals, 1992, 19, 185-195 |
| 9006116 | CIF | Ca2 Mg0.96 O7 Si2 | P -4 21 m | 7.8288; 7.8288; 5.0052 90; 90; 90 | 306.769 | Swainson, I. P.; Dove, M. T.; Schmahl, W. W.; Putnis, A. Neutron powder diffraction study of the akermanite-gehlenite solid solution series Sample: 100% Ak Physics and Chemistry of Minerals, 1992, 19, 185-195 |
| 9006448 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8338; 7.8338; 5.0082 90; 90; 90 | 307.345 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.0 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006449 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8154; 7.8154; 4.9919 90; 90; 90 | 304.908 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.80 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006450 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8071; 7.8071; 4.9821 90; 90; 90 | 303.663 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.25 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006451 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8046; 7.8046; 4.9772 90; 90; 90 | 303.17 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.37 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006452 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.7937; 7.7937; 4.9696 90; 90; 90 | 301.862 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.80 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006453 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.7677; 7.7677; 4.9495 90; 90; 90 | 298.639 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 2.78 GPa Note: O2-z changed to match reported bond lengths Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006454 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.7494; 7.7494; 4.9328 90; 90; 90 | 296.23 | Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W. Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 3.79 GPa Physics and Chemistry of Minerals, 1997, 24, 510-519 |
| 9006926 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8444; 7.8444; 5.0265 90; 90; 90 | 309.304 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006927 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8507; 7.8507; 5.0281 90; 90; 90 | 309.899 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 393 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006928 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8563; 7.8563; 5.0294 90; 90; 90 | 310.422 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 468 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006929 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.859; 7.859; 5.026 90; 90; 90 | 310.425 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 493 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006930 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8591; 7.8591; 5.0258 90; 90; 90 | 310.421 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006931 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8615; 7.8615; 5.0268 90; 90; 90 | 310.672 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 533 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006932 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8656; 7.8656; 5.0289 90; 90; 90 | 311.126 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006933 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8732; 7.8732; 5.0336 90; 90; 90 | 312.019 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006934 | CIF | Ca2 Co O7 Si2 | P -4 21 m | 7.8815; 7.8815; 5.0387 90; 90; 90 | 312.994 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006935 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8348; 7.8348; 5.0087 90; 90; 90 | 307.454 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006936 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8387; 7.8387; 5.0079 90; 90; 90 | 307.712 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 348 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006937 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8387; 7.8387; 5.0072 90; 90; 90 | 307.668 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.4 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006938 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8398; 7.8398; 5.0058 90; 90; 90 | 307.669 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.7 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006939 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8436; 7.8436; 5.007 90; 90; 90 | 308.041 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 413 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006940 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.847; 7.847; 5.0097 90; 90; 90 | 308.474 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 463 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006941 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.8509; 7.8509; 5.0127 90; 90; 90 | 308.966 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 513 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006942 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8679; 7.8679; 5.0144 90; 90; 90 | 310.411 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006943 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8743; 7.8743; 5.0155 90; 90; 90 | 310.984 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 383 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006944 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8776; 7.8776; 5.0153 90; 90; 90 | 311.232 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 423 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006945 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8868; 7.8868; 5.0171 90; 90; 90 | 312.072 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006946 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8855; 7.8855; 5.017 90; 90; 90 | 311.963 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 523 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006947 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8859; 7.8859; 5.0179 90; 90; 90 | 312.05 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 543 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006948 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8875; 7.8875; 5.0191 90; 90; 90 | 312.252 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006949 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8958; 7.8958; 5.0223 90; 90; 90 | 313.109 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9006950 | CIF | Ca2 Fe0.45 Mg0.55 O7 Si2 | P -4 21 m | 7.8989; 7.8989; 5.0237 90; 90; 90 | 313.442 | Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N. Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group Physics and Chemistry of Minerals, 2001, 28, 150-166 |
| 9007360 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.826; 7.826; 5.004 90; 90; 90 | 306.476 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 298 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007361 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.83; 7.83; 5.002 90; 90; 90 | 306.667 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 348 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007362 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.832; 7.832; 5.003 90; 90; 90 | 306.885 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 359 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007363 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.833; 7.833; 5.004 90; 90; 90 | 307.025 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 373 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007364 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.838; 7.838; 5.006 90; 90; 90 | 307.54 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 413 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007365 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.845; 7.845; 5.011 90; 90; 90 | 308.397 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 463 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007366 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.852; 7.852; 5.019 90; 90; 90 | 309.441 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 513 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007367 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.857; 7.857; 5.022 90; 90; 90 | 310.02 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 573 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007368 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.868; 7.868; 5.027 90; 90; 90 | 311.199 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 673 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007369 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.879; 7.879; 5.032 90; 90; 90 | 312.38 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 773 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9008187 | CIF | Ca2 O7 Si2 Zn | P -4 21 m | 7.8279; 7.8279; 5.0138 90; 90; 90 | 307.226 | Louisnathan, S. J. Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7 Zeitschrift fur Kristallographie, 1969, 130, 427-437 |
| 9008195 | CIF | Al Ca Na O7 Si2 | P -4 21 m | 7.6344; 7.6344; 5.0513 90; 90; 90 | 294.41 | Louisnathan, S. J. The crystal structure of synthetic soda melilite, CaNaAlSi2O7 Zeitschrift fur Kristallographie, 1970, 131, 314-321 |
| 9009316 | CIF | Al1.95 Ba0.928 H7.404 K0.048 O13.702 Si3.065 | P -4 21 m | 9.581; 9.581; 6.526 90; 90; 90 | 599.058 | Mazzi, F.; Galli, E.; Gottardi, G. Crystal structure refinement of two tetragonal edingtonites Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 373-382 |
| 9009317 | CIF | Al1.94 Ba0.879 H7.5 K0.025 Na0.03 O13.75 Si3.06 | P -4 21 m | 9.584; 9.584; 6.524 90; 90; 90 | 599.249 | Mazzi, F.; Galli, E.; Gottardi, G. Crystal structure refinement of two tetragonal edingtonites Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 373-382 |
| 9009412 | CIF | Be Ca2 O7 Si2 | P -4 21 m | 7.433; 7.433; 4.997 90; 90; 90 | 276.082 | Yang, Z.; Fleck, M.; Pertlik, F.; Tillmanns, E.; Tao, K. The crystal structure of natural gugiaite, Ca2BeSi2O7 Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 2001, 2001, 186-192 |
| 9009730 | CIF | Ca2 Fe0.446 Mg0.554 O7 Si2 | P -4 21 m | 7.8679; 7.8679; 5.0144 90; 90; 90 | 310.411 | Kusaka, K.; Ohmasa, M.; Hagiya, K.; Iishi, K.; Haga, N. On variety of the Ca coordination in the incommensurate structure of synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7 Note: Sample is synthetic, this is the structure obtained from a standard refinement Mineralogical Journal, 1998, 20, 47-58 |
| 9009856 | CIF | Cu3 Se2 | P -4 21 m | 6.4024; 6.4024; 4.2786 90; 90; 90 | 175.383 | Heyding, R. D.; Murray, R. M. Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada Canadian Journal of Chemistry, 1976, 54, 841-848 |
| 9010520 | CIF | Al1.91 Ca2 Fe0.02 Mg0.05 O7 Si1.02 | P -4 21 m | 7.716; 7.716; 5.089 90; 90; 90 | 302.982 | Louisnathan, S. J. Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7 The Canadian Mineralogist, 1971, 10, 822-837 |
| 9013636 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.74; 7.74; 4.932 90; 90; 90 | 295.464 | Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W. High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 5 GPa American Mineralogist, 2009, 94, 704-709 |
| 9013637 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.57; 7.57; 4.781 90; 90; 90 | 273.975 | Merlini, M.; Gemmi, M.; Hanfland, M.; Crichton, W. High-pressure behavior of akermanite and gehlenite and phase stability of the normal structures in melelites Note: P = 15 GPa American Mineralogist, 2009, 94, 704-709 |
| 9014399 | CIF | Ba2 Cu O7 Si2 | P -4 21 m | 8.284; 8.284; 5.313 90; 90; 90 | 364.603 | Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36 |
| 9014854 | CIF | Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 | P -4 21 m | 7.738; 7.738; 5.045 90; 90; 90 | 302.078 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9015368 | CIF | Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 | P -4 21 m | 7.76; 7.76; 5.029 90; 90; 90 | 302.834 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9017316 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017317 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017318 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017542 | CIF | Al0.5 Ca1.52 Fe0.3 Mg0.2 Na0.48 O7 Si2 | P -4 21 m | 7.7661; 7.7661; 5.0297 90; 90; 90 | 303.353 | Wiedenmann, D.; Zaitsev, A. N.; Britvin, S. N.; Krivovichev, S. V.; Keller, J. Alumoakermanite, (Ca,Na)2(Al,Mg,Fe2+)(Si2O7), a new mineral from the active carbonatite-nephelinite-phonolite volcano Oldoinyo Lengai, northern Tanzania Mineralogical Magazine, 2009, 73, 373-384 |
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