# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T02:16:21+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3 1 m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001006","8.775","0.005","8.775","0.005","3.897","0.001","90","","90","","120","","259.9","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Diboron tripotassium tritantalum oxide","","- B2 K3 O12 Ta3 -","","","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1001007","8.753","0.005","8.753","0.005","3.966","0.001","90","","90","","120","","263.1","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","1","0.166667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001008","34.01","","34.01","","3.966","0.001","90","","90","","120","","3972.8","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Tripotassium boro-niobate *","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B32 K48 Nb48 O192 -","16","2.66667","","Choisnet, J; Groult, D; Raveau, B; Gasperin, M","Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1841","1845","10.1107/S056774087700716X","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001328","11.276","0.005","11.276","0.005","4.593","0.003","90","","90","","120","","505.8","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Lead rhenate","","- O8 Pb Re2 -","- O8 Pb Re2 -","- O24 Pb3 Re6 -","3","0.5","","Picard, J-P; Baud, G; Besse, J-P; Chevalier, R; Gasperin, M","Structure cristalline du perrhenate de plomb Pb (Re O~4~)~2~","Journal of the Less-Common Metals","1984","96","","171","176","10.1016/0022-5088(84)90192-9","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509925","5.939","","5.939","","6.428","","90","","90","","120","","196.351","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Ag5 Pb2 O6","","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","1","0.166667","","Evers, L.; Bystroem, A.","The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1950","4","","613","627","10.3891/acta.chem.scand.04-0613","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510073","8.1047","","8.1047","","5.7974","","90","","90","","120","","329.79","","","","","","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Au Cd -","- Au Cd -","- Au9 Cd9 -","9","1.5","","Schubert, K.; Alasafi, K.M.","Kristallstruktur von Au Cd.r","Journal of the Less-Common Metals","1977","55","","1","8","10.1016/0022-5088(77)90255-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510578","10.243","","10.243","","5.29","","90","","90","","120","","480.663","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Cs4 (Au6 S5)","","- Au6 Cs4 S5 -","- Au6 Cs4 S5 -","- Au6 Cs4 S5 -","1","0.166667","","Weithaler, C.; Klepp, K.O.","Preparation and crystal structures of the new gold rich thioauratesRb4 Au6 S5 and Cs4 Au6 S5","Journal of Alloys Compd.","1996","243","","12","18","10.1016/S0925-8388(96)02362-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529545","6.31","","6.31","","6.49","","90","","90","","120","","223.787","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Ca (O Cl)2 (Ca (O H)2)2","","- Ca3 Cl2 H4 O6 -","- Ca3 Cl2 O6 -","- Ca3 Cl2 O6 -","1","0.166667","","Aleksandrova, M.M.; Dmitriev, G.A.; Avojan, R.L.","The probable model of the crystal structure of the twobase calcium hypochlorite","Armyanskii Khimicheskii Zhurnal","1968","21","","380","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529707","5.43","","5.43","","4.28","","90","","90","","120","","109.288","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 D6","","- D6 La Ni5 -","- D6 La Ni5 -","- D6 La Ni5 -","1","0.166667","","Burnasheva, V.V.; Solov'ev, S.P.; Fadeeva, N.V.; Yartys', V.A.; Semenenko, K.N.","The crystal structure of the deuteride La Ni5 D6","Doklady Akademii Nauk SSSR","1978","238","","844","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529939","5.41","","5.41","","4.293","","90","","90","","120","","108.814","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 D6","","- D6 La Ni5 -","- D6.0048 La Ni5 -","- D6.0048 La Ni5 -","1","0.166667","","Fischer, P.; Schlapbach, L.; Busch, G.; Furrer, A.","Neutron scattering investigations of the La Ni5 hydrogen storage system","Helvetica Physica Acta","1977","50","","421","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531553","11.355","","11.355","","5.0394","","90","","90","","120","","562.709","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","(Fe0.77 Mg0.23)12 (P O3 O H) (P O4)5 ((O H)5 O)","","- Fe9.24 H6 Mg2.76 O30 P6 -","- Fe9.264 H5.998 Mg2.736 O30 P6 -","- Fe9.264 H5.998 Mg2.736 O30 P6 -","1","0.166667","","Kolitsch, U.; Andrut, M.; Giester, G.","Satterlyite, (Fe, Mg)12 (P O3 O H) (P O4)5 (O H, O)6: crystal structure and infrared absorption spectra","European Journal of Mineralogy (1,1989-)","2002","14","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536107","5.336","","5.336","","4.259","","90","","90","","120","","105.019","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 D5.5","","- D5.5 La Ni5 -","- D5.52 La Ni5 -","- D5.52 La Ni5 -","1","0.166667","","Noreus, D.; Olsson, L.G.; Werner, P.E.","The structure and dynamics of hydrogen in La Ni5 H6 studied by elastic and inelastic neutron scattering","Journal of Physics F","1983","13","","715","727","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537459","5.295","","5.295","","63.99","","90","","90","","120","","1553.73","","","","","","","","","","","","","6","P 3 1 m","P 3 -2","157","","Mg2 Fe.1 Al1.27 Si1.4 O4.6 (O H)4.4","","- Al1.27 Fe0.1 H4.4 Mg2 O9 Si1.4 -","- Al1.26 Fe0.0999 Mg2.0001 O9 Si1.4 -","- Al1.26 Fe0.0999 Mg2.0001 O9 Si1.4 -","1","0.166667","","Jahanbagloo, I.C.; Zoltai, T.","The crystal structure of a hexagonal Al-serpentine","American Mineralogist","1968","53","","14","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537661","5.41","","5.41","","4.293","","90","","90","","120","","108.814","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 H5.6","","- H5.6 La Ni5 -","- H5.598 La Ni5 -","- H5.598 La Ni5 -","1","0.166667","","Andresen, A.","Lanthanum nickel hydride","Hydrides for Energy Storage, Norway","1977","1977","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538071","5.411","","5.411","","4.293","","90","","90","","120","","108.855","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","La Ni5 D6","","- D6 La Ni5 -","- D5.82 La Ni5 -","- D5.82 La Ni5 -","1","0.166667","","Furrer, A.; Fischer, P.; Haelg, W.; Schlapbach, L.","Localization and diffusion of hydrogen in lanthanum-nickel compounds","Hydrides for Energy Storage, Norway","1978","1977","","73","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1551910","33.028","0.003","33.028","0.003","5.2047","0.0006","90","","90","","120","","4916.9","0.8","300","2","300","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C10 H8 Cu O5 -","- C10 H8 Cu O5 -","- C180 H144 Cu18 O90 -","18","3","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.1685","0.1515","","","0.3291","0.341","","","","","","1.104","","","","has coordinates,has disorder","216575","2020-10-21","18:00:00",""
"1557132","13.9378","0.0012","13.9378","0.0012","8.2316","0.0008","90","","90","","120","","1384.9","0.2","299","2","298.94","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- In8 Ir1.5 S5.25 -","- In8 Ir1.5 S5.25 -","- In32 Ir6 S21 -","4","0.666667","","Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.","Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide","Chemical Science","2020","11","3","870","878","10.1039/C9SC05609B","","","0.71073","MoKα","","0.0278","0.0258","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","257422","2020-10-21","18:00:00",""
"1558459","8.6899","0.0006","8.6899","0.0006","5.0028","0.0006","90","","90","","120","","327.17","0.05","","","293","","","","","","","","","3","P 3 1 m","P 3 -2","157","Potassium Pentavanadate K3V5O14","","","- K3 O14 V5 -","- K3 O14 V5 -","- K3 O14 V5 -","1","0.166667","","Evans, Jr., Howard T.; Brusewitz, Ann Marie","Crystal Structure of Potassium Pentavanadate K3V5O14","Acta Chemica Scandinavica","1994","48","","533","536","10.3891/acta.chem.scand.48-0533","","x-ray","0.71069","MoKα","","","0.056","","","0.067","","","","","","","1.67","","","","has coordinates","253614","2020-10-21","18:00:00",""
"1563377","8.7134","0.0012","8.7134","0.0012","5.2807","0.0011","90","","90","","120","","347.21","0.1","293","2","293","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- O14 Rb3 V5 -","- O14 Rb3 V5 -","- O14 Rb3 V5 -","1","0.166667","","Pan, Jianguo; Li, Yuebao; Cui, Yuejie; Zhao, Lingyan; Li, Xing; Han, Lei","Synthesis, crystal structure and nonlinear optical property of Rb3V5O14","Journal of Solid State Chemistry","2010","183","12","2759","2762","10.1016/j.jssc.2010.09.017","","","0.71073","MoKα","","0.0613","0.0568","","","0.1485","0.1503","","","","","","1.097","","","","has coordinates","266421","2021-06-14","07:16:46",""
"1570282","12.1859","0.0003","12.1859","0.0003","19.308","0.0006","90","","90","","120","","2483.04","0.12","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl3 F18 Na63 O84 S21 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0954","0.1017","","","","","","1.009","","","","has coordinates","287466","2023-11-07","08:11:13",""
"1570284","12.1903","0.0002","12.1903","0.0002","13.9454","0.0002","90","","90","","120","","1794.69","0.05","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F4 Na15 O20 S5 -","- Cl F4 Na15 O20 S5 -","- Cl3 F12 Na45 O60 S15 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0294","0.0273","","","0.0709","0.0722","","","","","","1.031","","","","has coordinates","287468","2023-11-07","08:12:03",""
"2310676","5.49","","5.49","","7.085","","90","","90","","120","","184.933","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe4 O9 Si -","1","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311063","11.75","","11.75","","8.94","","90","","90","","120","","1068.92","","","","","","","","","","","","","6","P 3 1 m","P 3 -2","157","","(C (N H2)3) Al (S O4)2 (H2 O)6","","- C H18 Al N3 O14 S2 -","- C H18 Al N3 O14 S2 -","- C3 H54 Al3 N9 O42 S6 -","3","0.5","","Lingafelter, E.C.; Orioli, P.L.; Schein, B.J.B.; Stewart, J.M.","Parameter interactions and the ferroelectric mechanism in guanidinium aluminium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","451","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000456","5.05492","","5.05492","","38.818501","","90","","90","","120","","859.009","","0","","0","","0","","0","","","","","4","P 3 1 m","P 3 -2","157","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289143","2024-01-19","08:04:02",""
"4003586","15.2648","0.0006","15.2648","0.0006","8.1332","0.0003","90","","90","","120","","1641.25","0.11","150","2","150","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C6 H21 I9 N6 Pb3 -","- C6 H21 I9 N6 Pb3 -","- C12 H42 I18 N12 Pb6 -","2","0.333333","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.0483","0.0365","","","0.0654","0.0696","","","","","","1.075","","","","has coordinates","253255","2020-10-21","18:00:00",""
"4003948","9.0834","0.0014","9.0834","0.0014","6.6139","0.0011","90","","90","","120","","472.59","0.13","301","2","301","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","1","0.166667","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01274","","","0.71073","MoKα","","0.0161","0.0159","","","0.0348","0.0349","","","","","","1.04","","","","has coordinates","265436","2021-05-21","22:20:59",""
"4112388","8.063","0.003","8.063","0.003","8.51","0.004","90","","90","","120","","479.1","0.3","223","2","223","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","1","0.166667","","Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao","Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers","Journal of the American Chemical Society","2004","126","","4386","4397","10.1021/ja038868n","","","0.71073","MoKα","","0.0508","0.0446","","","0.0977","0.102","","","","","","1.145","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4307418","9.548","0.005","9.548","0.005","6.077","0.005","90","","90","","120","","479.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C15 H12 Co2 N6 O8 -","- C15 H9 Co2 N6 O8 -","- C15 H9 Co2 N6 O8 -","1","0.166667","","Antonio Rodríguez-Diéguez; Joan Cano; Raikko Kivekäs; Abderrahmane Debdoubi; Enrique Colacio","Self-Assembled Cationic Heterochiral Honeycomb-Layered Metal Complexes with the in Situ Generated Pyrimidine-2-carboxylato Bisdidentate Ligand. Hydrothermal Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Study of [M2(μ-pymca)3]OH.H2O (M = FeII, CoII)","Inorganic Chemistry","2007","46","","2503","2510","10.1021/ic061908e","","","0.71073","MoKα","","0.0825","0.0704","","","0.1878","0.2005","","","","","","1.144","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4307419","9.6956","0.0008","9.6956","0.0008","6.053","0.001","90","","90","","120","","492.78","0.1","100","2","100","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C15 H12 Fe2 N6 O8 -","- C15 H9 Fe2 N6 O8 -","- C15 H9 Fe2 N6 O8 -","1","0.166667","","Antonio Rodríguez-Diéguez; Joan Cano; Raikko Kivekäs; Abderrahmane Debdoubi; Enrique Colacio","Self-Assembled Cationic Heterochiral Honeycomb-Layered Metal Complexes with the in Situ Generated Pyrimidine-2-carboxylato Bisdidentate Ligand. Hydrothermal Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Study of [M2(μ-pymca)3]OH.H2O (M = FeII, CoII)","Inorganic Chemistry","2007","46","","2503","2510","10.1021/ic061908e","","","0.71073","MoKα","","0.0793","0.0744","","","0.2052","0.2114","","","","","","1.194","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4311318","10.5681","0.0014","10.5681","0.0014","17.205","0.006","90","","90","","120","","1664.1","0.7","293","2","293","2","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Al40 Ba21 -","- Al40 Ba21 -","- Al40 Ba21 -","1","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0322","0.0238","","","0.058","0.0616","","","","","","0.957","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312179","11.8116","0.0004","11.8116","0.0004","9.0311","0.0003","90","","90","","120","","1091.16","0.06","295","2","295","2","","","","","","","","6","P 3 1 m","P 3 -2","157","","Guanidinium Hexaaqua Vanadium Disulphate","","- C H18 N3 O14 S2 V -","- C H18 N3 O14 S2 V -","- C3 H54 N9 O42 S6 V3 -","3","0.5","","Philip L.W. Tregenna-Piggott; David Spichiger; Graham Carver; Beatrice Frey; Roland Meier; Høgni Weihe; John A. Cowan; Garry J. McIntyre; Gernot Zahn; Anne-Laure Barra","Structure and Bonding of the Vanadium(III) Hexa-Aqua Cation. 1. Experimental Characterization and Ligand-Field Analysis","Inorganic Chemistry","2004","43","","8049","8060","10.1021/ic049292l","","","0.71073","MoKα","","0.0273","0.0268","","","0.0737","0.0744","","","","","","1.116","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4316136","8.697","0.0016","8.697","0.0016","4.9434","0.0019","90","","90","","120","","323.81","0.15","100","2","100","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- K3 O14 V5 -","- K3 O14 V5 -","- K3 O14 V5 -","1","0.166667","","Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties","Inorganic Chemistry","2010","49","","6986","6993","10.1021/ic1008297","","","0.71073","MoKα","","0.0396","0.0325","","","0.0535","0.0582","","","","","","1.13","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316137","8.7092","0.0005","8.7092","0.0005","5.2772","0.0007","90","","90","","120","","346.65","0.05","296","2","296","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- O14 Rb3 V5 -","- O14 Rb3 V5 -","- O14 Rb3 V5 -","1","0.166667","","Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties","Inorganic Chemistry","2010","49","","6986","6993","10.1021/ic1008297","","","0.71073","MoKα","","0.0175","0.0174","","","0.0435","0.0435","","","","","","1.109","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316138","8.7397","0.0008","8.7397","0.0008","5.0846","0.001","90","","90","","120","","336.34","0.08","296","2","296","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- O14 Tl3 V5 -","- O14 Tl3 V5 -","- O14 Tl3 V5 -","1","0.166667","","Jeongho Yeon; Sang-Hwan Kim; P. Shiv Halasyamani","A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties","Inorganic Chemistry","2010","49","","6986","6993","10.1021/ic1008297","","","0.71073","MoKα","","0.0159","0.0156","","","0.0309","0.031","","","","","","1.096","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4333661","22.641","0.006","22.641","0.006","7.972","0.003","90","","90","","120","","3539.1","1.9","293","2","293","2","","","","","","","","2","P 3 1 m","P 3 -2","157","Au72.5Zn150","","","- Au6.05 Zn12.51 -","- Au6.05 Zn12.5125 -","- Au72.6 Zn150.15 -","12","2","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.1843","0.1005","","","0.2101","0.2626","","","","","","1.023","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4337286","17.0905","0.0004","17.0905","0.0004","8.0783","0.0002","90","","90","","120","","2043.43","0.08","123","2","123","2","","","","","","","","3","P 3 1 m","P 3 -2","157","Lithium Sodium Germanide","","","- Ge17 Li18 Na2 -","- Ge17 Li18 Na2 -","- Ge51 Li54 Na6 -","3","0.5","","Scherf, Lavinia M.; Zeilinger, Michael; Fässler, Thomas F","Li18Na2Ge17-A Compound Demonstrating Cation Effects on Cluster Shapes and Crystal Packing in Ternary Zintl Phases.","Inorganic chemistry","2014","53","4","2096","2101","10.1021/ic4027046","","","0.71073","MoKα","","0.0212","0.0185","","","0.0412","0.042","","","","","","1.041","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4344385","11.578","","11.578","","6.11","","90","","90","","120","","709.315","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","((C H3)4 N)2 ((Se2)3 Se (Mo Se2)3)","","- C8 H24 Mo3 N2 Se13 -","- C8 H24 Mo3 N2 Se13 -","- C8 H24 Mo3 N2 Se13 -","1","0.166667","","Liao, J.-H.; Li, J.; Kanatzidis, M.G.","Anion-anion interactions involving the (Mo3 Se13)2cluster. Synthesis and characterization of (Me4 N)2 Mo3 Se13, K2 Mo3 Se12.5 O0.5, and K6 Mo6 Se27 (H2 O)6","Inorganic Chemistry","1995","34","","2658","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","198674","2020-10-21","18:00:00",""
"5910284","8.6796","","8.6796","","4.9914","","90","","90","","120","","325.651","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- K3 O14 V5 -","- K9 O58 V13 -","- K9 O58 V13 -","","","","Wyckoff, R. W. G.","Page 493 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","493","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7047502","5.131","0.008","5.131","0.008","5.486","0.011","90","","90","","120","","125.1","0.4","296","2","296","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- Ge O6 Pb Te -","- Ge O6 Pb Te -","- Ge O6 Pb Te -","1","0.166667","","Jia, Zhen; Jiang, Xingxing; Lin, Zheshuai; Xia, Mingjun","PbTeGeO<sub>6</sub>: polar rosiaite-type germanate featuring a two dimensional layered structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16388","16392","10.1039/c8dt03136c","","","0.71073","MoKα","","0.0254","0.0244","","","0.0615","0.0622","","","","","","1.153","","","","has coordinates","229638","2020-10-21","18:00:00",""
"7127991","9.34","0.003","9.34","0.003","9.71","0.005","90","","90","","120","","733.6","0.5","293","2","293","2","","","","","","","","6","P 3 1 m","P 3 -2","157","","","","- Ba3 Bi6 F11 Li O21 Se7 -","- Ba3 Bi6 F11 Li O21 Se7 -","- Ba3 Bi6 F11 Li O21 Se7 -","1","0.166667","","Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning","Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>.","Chemical communications (Cambridge, England)","2021","57","24","2982","2985","10.1039/d1cc00346a","","","0.71073","MoKα","","0.0269","0.0256","","","0.0477","0.0481","","","","","","0.879","","","","has coordinates","263617","2021-04-05","13:52:34",""
"7127992","9.479","0.003","9.479","0.003","9.566","0.004","90","","90","","120","","744.4","0.5","296","2","296","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Ba3 Bi6.5 F10.5 O21.5 Se7 -","- Ba3 Bi6.5001 F10.5 O21.5 Se7 -","- Ba3 Bi6.5001 F10.5 O21.5 Se7 -","1","0.166667","","Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning","Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>.","Chemical communications (Cambridge, England)","2021","57","24","2982","2985","10.1039/d1cc00346a","","","0.71073","MoKα","","0.0326","0.0312","","","0.0646","0.065","","","","","","1.13","","","","has coordinates","263617","2021-04-05","13:52:34",""
"7221471","14.144","","14.144","","4.0902","","90","","90","","120","","708.63","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Pb (C (C N)3)2","","- C8 N6 Pb -","- C8 N6 Pb -","- C24 N18 Pb3 -","3","0.5","","Deflon, V.M.; de Sousa Lopes, C.C.; Bessler, K.E.; Niquet, E.; Romualdo, L.L.","Preparation, characterization and crystal structure of lead(II) tricyanomethanide","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222742","8.455","","8.455","","6.0262","","90","","90","","120","","373.08","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","Cs3 (As5 O9)","","- As5 Cs3 O9 -","- As5 Cs3 O9 -","- As5 Cs3 O9 -","1","0.166667","","Emmerling, F.; Roehr, C.","Die neuen Oxoarsenate(III) A As O2 (A = Na, K, Rb) und Cs3 As5 O9. Darstellung, Kristallstrukturen und Raman- Spektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","620","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","164618","2020-10-21","18:00:00",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7232021","21.2827","0.001","21.2827","0.001","22.0855","0.001","90","","90","","120","","8663.5","0.7","90","2","90.15","","","","","","","","","6","P 3 1 m","P 3 -2","157","","","","- C190 H62.67 Cl1.33 N2 P2 Sc6 -","- C177.333 H39.9996 N2 P1.33333 Sc6 -","- C532 H119.999 N6 P4 Sc18 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","","0.71073","MoKα","","0.2138","0.1493","","","0.3455","0.3995","","","","","","1.455","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00",""
"7232022","19.7234","0.001","19.7234","0.001","20.1242","0.0019","90","","90","","120","","6779.7","0.8","50","2","50","0.4","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C150 H62.67 Cl1.33 P2 -","- C136.833 H39.996 P1.33333 -","- C410.5 H119.988 P4 -","3","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.","Physical chemistry chemical physics : PCCP","2019","21","4","1645","1649","10.1039/c8cp07017b","","x-ray","0.71073","MoKα","","0.2053","0.1587","","","0.4081","0.4516","","","","","","1.727","","","","has coordinates,has disorder","225325","2020-10-21","18:00:00",""
"7708872","7.1406","0.0005","7.1406","0.0005","7.4646","0.0007","90","","90","","120","","329.61","0.04","293","2","293","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- I K O14 Rb U3 -","- I0.9998 K O14 Rb U3 -","- I0.9998 K O14 Rb U3 -","1","0.166667","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wilden, Andreas; Henkes, Maximilian; Schneider, Dimitri; Alekseev, Evgeny V.","Incorporation of iodine into uranium oxyhydroxide phases.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03237b","","","0.71073","MoKα","","0.0558","0.0447","","","0.0916","0.0968","","","","","","1.078","","","","has coordinates","270754","2021-11-18","23:59:01",""
"9000848","5.332","","5.332","","7.233","","90","","90","","120","","178.086","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Mellini, M.","The crystal structure of lizardite 1T: hydrogen bonds and polytypism","American Mineralogist","1982","67","","587","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9001092","5.325","","5.325","","7.259","","90","","90","","120","","178.257","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Mellini, M.; Zanazzi, P. F.","Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy Sample: Lizardite-1T Note: U(1,2) for Mg/O3 altered to match symmetry constraints. Note: Thermal ellipsoid for O1 is non-positive definite","American Mineralogist","1987","72","","943","948","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:13:11",""
"9001363","11.563","","11.563","","11.1","","90","","90","","120","","1285.27","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Langbanite","- Mn13 O24 Sb Si2 -","- Mn13 O24 Sb Si2 -","- Mn39 O72 Sb3 Si6 -","3","0.5","","Moore, P. B.; Sen Gupta, P. K.; Le Page, Y.","The remarkable langbanite structure type: Crystal structure, chemical crystallography and relation to some other cation close-packed structures","American Mineralogist","1991","76","","1408","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001638","5.33","","5.33","","7.269","","90","","90","","120","","178.838","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Mellini, M.; Viti, C.","Crystal structure of lizardite-1T from Elba, Italy Sample: MFN3-1 Note: U(1,2) for Mg and O2 have been changed to match symmetry constraints.","American Mineralogist","1994","79","","1194","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001639","5.338","","5.338","","7.257","","90","","90","","120","","179.079","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Mellini, M.; Viti, C.","Crystal structure of lizardite-1T from Elba, Italy Sample: MFN3-6 Note: U(1,2) for Si, O2 and O4 have been changed to match symmetry constraints.","American Mineralogist","1994","79","","1194","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001778","5.3267","","5.3267","","7.2539","","90","","90","","120","","178.246","","","","8","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite-1T","- H6 Mg3 O9 Si2 -","- H6 Mg3 O9 Si2 -","- H6 Mg3 O9 Si2 -","1","0.166667","","Gregorkiewitz, M.; Lebech, B.; Mellini, M.; Viti, C.","Hydrogen positions and thermal expansion in lizardite-1T from Elba: A low-temperature study using Rietveld refinement of neutron diffraction data T = 8 K","American Mineralogist","1996","81","","1111","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004508","5.326","","5.326","","7.288","","90","","90","","120","","179.036","","","","293.15","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite-1T","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 20 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004509","5.333","","5.333","","7.324","","90","","90","","120","","180.394","","","","633.15","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","Lizardite-1T","- Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg3 O9 Si2 -","1","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 360 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004510","5.332","","5.332","","7.332","","90","","90","","120","","180.523","","","","753.15","","","","","","","","","4","P 3 1 m","P 3 -2","157","","","Lizardite-1T","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","- H4 Mg3 O9 Si2 -","1","0.166667","","Guggenheim, S.; Zhan, W.","Effect of temperature on the structures of lizardite-1T and lizardite-2H1 Sample: T = 480 C","The Canadian Mineralogist","1998","36","","1587","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004993","5.313","","5.313","","7.227","","90","","90","","120","","176.672","","","","","","","","700000","","","","Coli, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","- Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94 -","1","0.166667","","Mellini, M.; Zanazzi, P. F.","Effects of pressure on the structure of lizardite-1T Sample: at P = 7 kbar","European Journal of Mineralogy","1989","1","","13","19","10.1127/ejm/01/1/0013","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004994","5.316","","5.316","","7.15","","90","","90","","120","","174.987","","","","","","","","1250000","","","","Val Sissone","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","- Al0.22 Fe0.15 H4 Mg2.79 O9 Si1.84 -","1","0.166667","","Mellini, M.; Zanazzi, P. F.","Effects of pressure on the structure of lizardite-1T Sample: at P = 12.5 kbar","European Journal of Mineralogy","1989","1","","13","19","10.1127/ejm/01/1/0013","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005538","11.355","","11.355","","5.0394","","90","","90","","120","","562.709","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","","Satterlyite","- Fe1.544 H Mg0.456 O5 P -","- Fe1.544 H Mg0.456 O5 P -","- Fe9.264 H6 Mg2.736 O30 P6 -","6","1","","Kolitsch, U.; Andrut, M.; Giester, G.","Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure and infrared absorption spectra Note: z-coordinate of O6 altered by author, August 2003.","European Journal of Mineralogy","2002","14","","127","133","10.1127/0935-1221/2002/0014-0127","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005752","5.494","","5.494","","7.09","","90","","90","","120","","185.334","","","","","","","","","","","","Herja, Romania","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","- Fe3.63 H4 O9 Si1.37 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: HER Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005753","5.495","","5.495","","7.09","","90","","90","","120","","185.401","","","","","","","","","","","","Lostwithiel, England","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","- Fe3.578 H4 O9 Si1.422 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LOS Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005754","5.501","","5.501","","7.106","","90","","90","","120","","186.225","","","","","","","","","","","","Roznava, Slovakia","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","- Fe3.44 H4 O9 Si1.56 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: ROZ Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005755","5.49","","5.49","","7.086","","90","","90","","120","","184.959","","","","","","","","","","","","Litosice, Czech Republic","4","P 3 1 m","P 3 -2","157","","","Cronstedtite","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","- Fe3.52 H4 O9 Si1.48 -","1","0.166667","","Hybler, J.","Parallel intergrowths in cronstedtite-1T: determination of the degree of disorder Sample: LIT Note: 1T polytype","European Journal of Mineralogy","2006","18","","197","205","10.1127/0935-1221/2006/0018-0197","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9009453","12.197","","12.197","","13.955","","90","","90","","120","","1797.9","","","","","","","","","","","","Searles Lake, California, USA","5","P 3 1 m","P 3 -2","157","","","Galeite","- Cl F4 Na15 O20 S5 -","- Cl F4 Na15 O20 S5 -","- Cl3 F12 Na45 O60 S15 -","3","0.5","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R.","The crystal structure of galeite, Na15(SO4)5F4Cl","Mineralogical Magazine","1975","40","","357","361","10.1180/minmag.1975.040.312.04","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009832","11.203","","11.203","","4.977","","90","","90","","120","","540.962","","","","","","","","","","","","Tingelstadtjern serpentine-magnesium deposit, Modum, Norway","5","P 3 1 m","P 3 -2","157","","","Holtedahlite","- C0.24 H6.76 Mg12 O29.76 P5.76 -","- C0.24 H6.76 Mg12 O29.76 P5.76 -","- C0.24 H6.76 Mg12 O29.76 P5.76 -","1","0.166667","","Romming, C.; Raade, G.","The crystal structure of natural and synthetic holtedahlite","Mineralogy and Petrology","1989","40","","91","100","10.1007/BF01164319","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9009833","11.186","","11.186","","4.977","","90","","90","","120","","539.322","","","","","","","","","","","","Synthetic","4","P 3 1 m","P 3 -2","157","","","Holtedahlite","- H7 Mg12 O30 P6 -","- H7 Mg12 O30 P6 -","- H7 Mg12 O30 P6 -","1","0.166667","","Romming, C.; Raade, G.","The crystal structure of natural and synthetic holtedahlite","Mineralogy and Petrology","1989","40","","91","100","10.1007/BF01164319","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9009984","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Ni Ti0.876 -","- Ni Ti0.876 -","- Ni9 Ti7.884 -","9","1.5","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010983","9.06","","9.06","","8.27","","90","","90","","120","","587.885","","","","","","","","","","","","Synthetic","4","P 3 1 m","P 3 -2","157","","","Hydrocerussite","- C2 H2 O8 Pb3 -","- C2 H2 O8 Pb3 -","- C6 H6 O24 Pb9 -","3","0.5","","Cowley, J. M.","Electron-diffraction study of the structure of basic lead carbonate, 2PbCO3*Pb(OH)2","Acta Crystallographica","1956","9","","391","396","10.1107/S0365110X56001133","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011793","12.197","","12.197","","19.259","","90","","90","","120","","2481.25","","","","","","","","","","","","Searles Lake, California, USA","5","P 3 1 m","P 3 -2","157","","","Schairerite","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl3 F18 Na63 O84 S21 -","3","0.5","","Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R.; Sabelli, C.","The crystal structure of schairerite and its relationship to sulphohalite","Mineralogical Magazine","1975","40","","131","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9014664","5.3244","","5.3244","","7.268","","90","","90","","120","","178.438","","","","","","","","","","","","Pompeano, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","- Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015163","5.3259","","5.3259","","7.2726","","90","","90","","120","","178.651","","","","","","","","","","","","Varana, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","- Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015486","5.323","","5.323","","7.27","","90","","90","","120","","178.393","","","","","","","","","","","","Sassomorello, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","- Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015580","5.3234","","5.3234","","7.2721","","90","","90","","120","","178.471","","","","","","","","","","","","Pompeano, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","- Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.","The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016050","5.3263","","5.3263","","7.2885","","90","","90","","120","","179.069","","","","","","","","","","","","Santa Scolastica, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","- Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016147","5.3261","","5.3261","","7.273","","90","","90","","120","","178.675","","","","","","","","","","","","Varana, Modena Apennines, Italy","6","P 3 1 m","P 3 -2","157","","","Lizardite","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","- Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882 -","1","0.166667","","Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.","The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T","The Canadian Mineralogist","2011","49","","1045","1054","10.3749/canmin.49.4.1045","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017723","17.436","","17.436","","6.1295","","90","","90","","120","","1613.8","","","","","","","","","","","","Fallowfield mine, Northumberland, England","4","P 3 1 m","P 3 -2","157","","","Alstonite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C24 Ba12 Ca12 O72 -","12","2","","Bindi, L.; Roberts, A. C.; Biagioni, C.","The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of 'hidden' complex twinning in large single crystals","Mineralogical Magazine","2020","84","","699","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""