# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-20T13:48:13+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3 2 1' 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
"1000157","8.993","0.001","8.993","0.001","5.003","0.001","90","","90","","120","","350.4","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","MANGANESE SODIUM HEXAFLUOROCHROMATE(III)","","- Cr F6 Mn Na -","- Cr F6 Mn Na -","- Cr3 F18 Mn3 Na3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","La structure cristalline de Na Mn Cr F~6~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1405","1408","10.1107/S0567740877006177","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000184","8.684","0.002","8.684","0.002","4.657","0.001","90","","90","","120","","304.1","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-alpha","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000185","8.723","0.002","8.723","0.002","4.745","0.001","90","","90","","120","","312.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-beta","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000186","8.723","0.002","8.723","0.002","4.745","0.001","90","","90","","120","","312.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Lithium manganese iron(III) fluoride - $-beta","","- F6 Fe Li Mn -","- F6 Fe Li Mn -","- F18 Fe3 Li3 Mn3 -","3","0.5","","Courbion, G; Jacoboni, C; de Pape, R","The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~","Journal of Solid State Chemistry","1982","45","","127","134","10.1016/0022-4596(82)90299-7","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000417","8.9295","0.0009","8.9295","0.0009","5.0642","0.0002","90","","90","","120","","349.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sodium calcium pentafluoroaluminate fluoride - $-beta","","- Al Ca F6 Na -","- Al Ca F6 Na -","- Al3 Ca3 F18 Na3 -","3","0.5","","Hemon, A; Courbion, G","The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33","Journal of Solid State Chemistry","1990","84","","153","164","10.1016/0022-4596(90)90194-3","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001011","8.164","0.005","8.164","0.005","4.016","0.005","90","","90","","120","","231.8","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","CALCIUM BROMIDE HEXAHYDRATE","","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","- Br2 Ca H12 O6 -","1","0.166667","","Leclaire, A; Borel, M M","Le dichlorure et le dibromure de calcium hexahydrates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2938","2940","10.1107/S0567740877009881","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001047","10.116","0.002","10.116","0.002","13.255","0.002","90","","90","","120","","1174.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Trisodium zinc hexathorium fluoride","","- F29 Na3 Th6 Zn -","- F28.98 Na3 Th6 Zn -","- F57.96 Na6 Th12 Zn2 -","2","0.333333","","Cousson, A; Tabuteau, A; Pages, M; Gasperin, M","Fluorure complexe de thorium, sodium et zinc","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2674","2676","10.1107/S056774087901013X","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001770","7.876","0.002","7.876","0.002","3.954","0.001","90","","90","","120","","212.4","","","","","","","","","","","","synthetic","4","P 3 2 1","P 3 2""","150","","Calcium chloride hexahydrate","Antarcticite","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","1","0.166667","","Leclaire, A; Borel, M M","Le dichlorure et le dibromure de calcium hexahydrates","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2938","2940","10.1107/S0567740877009881","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004109","9.477","0.001","9.477","0.001","7.825","0.004","90","","90","","120","","608.6","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Tetrastrontium nonaoxotriniccolate","","- Ni3 O9 Sr4 -","- Ni3 O9 Sr4 -","- Ni9 O27 Sr12 -","3","0.5","","Abraham, F; Minaud, S; Renard, C","Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11","Journal of Materials Chemistry","1994","4","11","1763","1764","10.1039/jm9940401763","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008860","9.782","0.001","9.782","0.001","6.298","0.002","90","","90","","120","","521.9","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Dipotassium dithionate(V)","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","de Matos Gomes, E; Ortega, J; Extebarria, J; Zuniga, F J; Breczewski, T","The crystal structure and optical activity of potassium dithionate, K2 S2 O6","Journal of Physics: Condensed Matter","1996","8","","2063","2071","10.1088/0953-8984/8/12/018","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010014","10.02","","10.02","","6.35","","90","","90","","120","","552.1","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Rubidium dithionate","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Barnes, W. H.; Wendling, A. V.","The structure of rubidium dithionate Rb~2~S~2~O~6~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","153","180","10.1524/zkri.1938.99.1.153","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010278","3.93","","3.93","","6.12","","90","","90","","120","","81.9","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Lanthanum oxide - $-alpha","","- La2 O3 -","- La2 O3 -","- La2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010279","3.88","","3.88","","6.06","","90","","90","","120","","79","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Cerium oxide - $-alpha","","- Ce2 O3 -","- Ce2 O3 -","- Ce2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010280","3.85","","3.85","","6","","90","","90","","120","","77","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Praseodymium oxide - A","","- O3 Pr2 -","- O3 Pr2 -","- O3 Pr2 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010281","3.84","","3.84","","6.01","","90","","90","","120","","76.7","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Neodymium oxide - A","","- Nd2 O3 -","- Nd2 O3 -","- Nd2 O3 -","1","0.166667","","Zachariasen, W H","Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ )","Zeitschrift fuer Physikalische Chemie (Leipzig)","1926","123","","134","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010414","4.93","","4.93","","6.25","","90","","90","","120","","131.6","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010415","5.2","","5.2","","6.66","","90","","90","","120","","156","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F9 Fe3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010416","5.06","","5.06","","6.63","","90","","90","","120","","147","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Cobalt(III) fluoride","","- Co F3 -","- Co F3 -","- Co3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010417","4.88","","4.88","","6.81","","90","","90","","120","","140.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Rhodium(III) fluoride","","- F3 Rh -","- F3 Rh -","- F9 Rh3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010418","5.05","","5.05","","7.08","","90","","90","","120","","156.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Palladium(III) fluoride","","- F3 Pd -","- F3 Pd -","- F9 Pd3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010613","9.82","","9.82","","6.36","","90","","90","","120","","531.1","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Potassium dithionate","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","Helwig, G V","The structure of potassium dithionate K~2~ S~2~ O~6~ and the measurement of the integrated reflection from a small crystal","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","83","","485","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011235","4.706","","4.706","","7.96","","90","","90","","120","","152.7","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Potassium aluminium sulfate(VI)","Steklite","- Al K O8 S2 -","- Al K O8 S2 -","- Al K O8 S2 -","1","0.166667","","Vegard, L; Maurstad, A","Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse","1928","1928","","1","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011356","7.94","","7.94","","4.108","","90","","90","","120","","224.3","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Strontium chloride hexahydrate","Antarcticite (Sr)","- Cl2 H12 O6 Sr -","- Cl2 H2 O6 Sr -","- Cl2 H2 O6 Sr -","1","0.166667","","Jensen, A T","On the structure of Sr Cl2 (H2 O)6","Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser","1940","17","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510700","8.5656","","8.5656","","8.685","","90","","90","","120","","551.844","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","K2 Ga2 O (B O3)2","","- B2 Ga2 K2 O7 -","- B2 Ga2 K2 O7 -","- B6 Ga6 K6 O21 -","3","0.5","","Kennard, M.A.; Dudik, M.J.; Smith, R.W.","Structure and properties of the noncentrosymmetric oxide borate K2 Ga2 O (B O3)2","Materials Research Bulletin","1997","32","","649","656","10.1016/S0025-5408(97)00030-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511950","14.81","0.005","14.81","0.005","21.949","0.008","90","","90","","120","","4169","3","100","2","100","2","","","","","","","chemical synthesis","4","P 3 2 1","P 3 2""","150","in,in-bis(triarylphosphine)","","","- C39 H30 P2 S3 -","- C39 H30 P2 S3 -","- C156 H120 P8 S12 -","4","0.666667","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","0.71073","MoKα","","0.0683","0.0603","","","0.1726","0.1779","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1520821","12.916","","12.916","","26.543","","90","","90","","120","","3834.75","","","","","","","","","","","","","8","P 3 2 1","P 3 2""","150","","Na21.47 K8.62 Ca9.91 (Si30 Al30 O120) (S O4)10 (H2 O)2","","- Al30 Ca9.91 H4 K8.62 Na21.47 O162 S10 Si30 -","- Al30 Ca9.903 K8.62 Na21.472 O161.996 S9.994 Si30 -","- Al30 Ca9.903 K8.62 Na21.472 O161.996 S9.994 Si30 -","1","0.166667","","Ballirano, P.; Maras, A.; Bonaccorsi, E.; Merlino, S.","The crystal structure of franzinite, the ten-layer mineral of the cancrinite group","Canadian Mineralogist","2000","38","","657","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522006","8.2","","8.2","","5.123","","90","","90","","120","","298.32","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (Mo0.25 Ga0.75) Ga5 O14","","- Ga5.75 La3 Mo0.25 O14 -","- Ga5.75 La3 Mo0.25 O14 -","- Ga5.75 La3 Mo0.25 O14 -","1","0.166667","","Takeda, H.; Fukuda, T.; Sato, J.; Kato, T.; Morikoshi, H.; Shimamura, K.","Synthesis and structure of La3 (M1/3 Ga2/3) Ga5 O14 (M = Mo(6+) and W(6+)) crystals","Materials Letters","1999","41","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","142225","2020-10-21","18:00:00",""
"1522007","8.208","","8.208","","5.126","","90","","90","","120","","299.078","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (W0.256 Ga0.744) Ga5 O14","","- Ga5.744 La3 O14 W0.256 -","- Ga5.744 La3 O14 W0.256 -","- Ga5.744 La3 O14 W0.256 -","1","0.166667","","Takeda, H.; Shimamura, K.; Morikoshi, H.; Sato, J.; Kato, T.; Fukuda, T.","Synthesis and structure of La3 (M1/3 Ga2/3) Ga5 O14 (M = Mo(6+) andW(6+)) crystals","Materials Letters","1999","41","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","142226","2020-10-21","18:00:00",""
"1522608","4.111","","4.111","","2.745","","90","","90","","120","","40.176","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Pt Zn1.68 -","- Pt Zn1.71 -","- Pt Zn1.71 -","1","0.166667","","Nowotny, H.; Stempfl, A.; Bauer, E.; Bittner, H.","Ueber die Systeme: Platin-Zink und Platin-Kadmium","Monatshefte fuer Chemie (-108,1977)","1952","83","","221","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523129","4.751","","4.751","","8.589","","90","","90","","120","","167.897","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Li7 Pb2 -","- Li7 Pb2 -","- Li7 Pb2 -","1","0.166667","","Zalkin, A.; Ramsey, W.J.","Intermetallic compounds between lithium and lead. I. The structures of Li3 Pb and Li7 Pb2","Journal of Physical Chemistry","1956","60","","234","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524388","8.847","","8.847","","4.78","","90","","90","","120","","324.004","","","","","","","","","","","","","1","P 3 2 1","P 3 2""","150","","In Li Mn F6","","- Li -","- Li -","- Li3 -","3","0.5","","Gaile, J.; Ruedorff, W.; Viebahn, W.","Zur Struktur der Li M(II) M(III) F6 - Verbindungen. Neue Verbindungen mit M(III)=In und Ti","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","430","","161","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525958","9.6007","","9.6007","","7.7646","","90","","90","","120","","619.806","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Mn2 Ni O9","","- Mn2 Ni O9 Sr4 -","- Mn2 Ni0.9999 O9 Sr4 -","- Mn6 Ni2.9997 O27 Sr12 -","3","0.5","","El Abed, A.; Gaudin, E.; Lemaux, S.; Darriet, J.","Crystal structure and magnetic properties of Sr4 Mn2 Ni O9","Solid State Sciences","2001","3","","887","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526032","8.235","","8.235","","5.129","","90","","90","","120","","301.225","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (Nb0.5 Ga0.5) Ga5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Molchanov, V.N.; Kondakov, A.F.; Maksimov, B.A.; Chernaya, T.S.; Simonov, V.I.; Pisarevskii, Yu.V.","Crystal structure and optical activity of La3 Nb0.5 Ga5.5 O14 and Sr3 Ga2 Ge4 O14 single crystals of the langasite family","Journal of Experimental and Theoretical Physics Letters","2001","74","","222","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","147128","2020-10-21","18:00:00",""
"1526739","8.293","","8.293","","5.078","","90","","90","","120","","302.445","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Sr3 (Ta Ga3 Si2 O14)","","- Ga3 O14 Si2 Sr3 Ta -","- Ga3 O14 Si2 Sr3 Ta -","- Ga3 O14 Si2 Sr3 Ta -","1","0.166667","","Takeda, H.; Sato, J.; Fukuda, T.; Kawasaki, K.; Morikoshi, H.; Kato, T.; Shimamura, K.","Synthesis and characterization of Sr3 Ta Ga3 Si2 O14 single crystals","Materials Research Bulletin","2000","35","","245","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528413","8.2196","","8.2196","","5.1217","","90","","90","","120","","299.672","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 Nb0.5 Ga5.5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Chernaya, T.S.; Molchanov, V.N.; Kazantsev, S.S.; Verin, I.A.; Blomberg, M.K.; Maksimov, B.A.; Simonov, V.I.","Crystal structure of La3 Nb0.5 Ga5.5 O14 at 20 K","Kristallografiya","2006","51","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","150593","2020-10-21","18:00:00",""
"1529246","8.5859","0.0002","8.5859","0.0002","8.5309","0.0003","90","","90","","120","","544.62","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K4.11 O21 Rb1.89 -","- Al2 B2 K1.37 O7 Rb0.63 -","- Al6 B6 K4.11 O21 Rb1.89 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529247","8.6574","0.0002","8.6574","0.0002","8.682","0.0003","90","","90","","120","","563.54","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K1.071 O21 Rb4.929 -","- Al2 B2 K0.35 O7 Rb1.65 -","- Al6 B6 K1.05 O21 Rb4.95 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529248","8.6131","0.0002","8.6131","0.0002","8.587","0.0003","90","","90","","120","","551.68","0.03","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al6 B6 K2.73 O21 Rb3.27 -","- Al2 B2 K0.91 O7 Rb1.09 -","- Al6 B6 K2.73 O21 Rb3.27 -","3","0.5","","Atuchin, V. V.; Bazarov, B. G.; Gavrilova, T. A.; Grossman, V. G.; Molokeev, M. S.; Bazarova, Zh. G.","Preparation and structural properties of nonlinear optical borates K~2(1-x)~Rb~2x~Al~2~B~2~O~7~, 0 < x < 0.75","Journal of Alloys and Compounds","2012","515","","119","122","10.1016/j.jallcom.2011.11.115","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","","","","","","","","","has coordinates,has Fobs","189813","2020-10-21","18:00:00",""
"1529620","8.076","","8.076","","4.974","","90","","90","","120","","280.95","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Ca3 Ge ((Ga2 Ge) Ge2 O14)","","- Ca3 Ga2 Ge4 O14 -","- Ca3 Ga2.0001 Ge3.9999 O14 -","- Ca3 Ga2.0001 Ge3.9999 O14 -","1","0.166667","","Belokoneva, E.L.; Belov, N.V.","The crystal structure of the synthetic Ga, Ge-Gelenite Ca2 Ga2 Ge O7 = Ca2 Ga (Ga Ge) O7 and its comparison with the structure Ca3 Ga2 Ge4 O14 = Ca3 Ge ((Ga2 Ge) Ge2 O14)","Doklady Akademii Nauk SSSR","1981","260","","1363","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","154096","2020-10-21","18:00:00",""
"1530122","8.27","","8.27","","5.04","","90","","90","","120","","298.519","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr3 Ga2 Ge4 O14","","- Ga2 Ge4 O14 Sr3 -","- Ga1.99 Ge4.01 O14 Sr3 -","- Ga1.99 Ge4.01 O14 Sr3 -","1","0.166667","","Kaminskii, A.A.; Belokoneva, E.L.; Mill', B.V.; Pisarevskii, Yu.V.; Sarkisov, S.E.; Silvestrova, I.M.; Butashin, A.V.; Khodzhabagyan, G.G.","Pure and Nd3+ -doped Ca3 Ga2 Ge4 O14 and Sr3 Ga2 Ge4 O14 single crystals, their structure optical, spectral luminescence, electromechanical properties, and stimulated emission","Physica Status Solidi, Sectio A: Applied Research","1984","86","","345","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","155104","2020-10-21","18:00:00",""
"1530638","8.802","","8.802","","4.721","","90","","90","","120","","316.758","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Mn (Sb2 O6)","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn3 O18 Sb6 -","3","0.5","","Reimers, J.N.; Greedan, J.E.; Subramanian, M.A.","Crystal structure and magnetism in Mn Sb2 O6: Incommensurate long-range order","Journal of Solid State Chemistry","1989","79","","263","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530732","8.8054","","8.8054","","4.7229","","90","","90","","120","","317.13","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Mn (Sb2 O6)","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn3 O18 Sb6 -","3","0.5","","Scott, H.G.","Synthesis and crystal structures of the manganous antimonates Mn2 Sb2 O7 and Mn Sb2 O6","Journal of Solid State Chemistry","1987","66","","171","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531231","10.13982","","10.13982","","30.2178","","90","","90","","120","","2690.63","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Ba14 Pd3 Ir8 O33","","- Ba14 Ir8 O33 Pd3 -","- Ba14 Ir8 O33 Pd3 -","- Ba42 Ir24 O99 Pd9 -","3","0.5","","Burley, J.C.; Battle, P.D.; Jordan, N.A.; Sloan, J.; Weill, F.","Synthesis and structural characterization of Ba14 Pd3 Ir8 O33","Journal of Solid State Chemistry","2003","174","","96","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","156601","2020-10-21","18:00:00",""
"1531524","8.087","","8.087","","4.98","","90","","90","","120","","282.056","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Ca3 (Nb0.68 Ga3.32) Si2 O14","","- Ca3 Ga3.32 Nb0.68 O14 Si2 -","- Ca3 Ga3.3181 Nb0.6819 O14 Si2 -","- Ca3 Ga3.3181 Nb0.6819 O14 Si2 -","1","0.166667","","Jung, I.H.; Yoshikawa, A.; Fukuda, T.; Auh, K.H.","Growth and structure of A3 Nb Ga3 Si2 O14 (A = Sr, Ca) compounds","Journal of Alloys Compd.","2002","339","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","157013","2020-10-21","18:00:00",""
"1531707","8.282","","8.282","","5.073","","90","","90","","120","","301.346","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Sr3 (Nb0.7 Ga3.3) Si2 O14","","- Ga3.3 Nb0.7 O14 Si2 Sr3 -","- Ga3.2982 Nb0.7018 O14 Si2 Sr3 -","- Ga3.2982 Nb0.7018 O14 Si2 Sr3 -","1","0.166667","","Jung, I.H.; Auh, K.H.; Fukuda, T.; Yoshikawa, A.","Growth and structure of A3 Nb Ga3 Si2 O14 (A = Sr, Ca) compounds","Journal of Alloys Compd.","2002","339","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","157250","2020-10-21","18:00:00",""
"1532914","9.5918","","9.5918","","7.8114","","90","","90","","120","","622.386","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Cu (Mn2 O9)","","- Cu Mn2 O9 Sr4 -","- Cu0.999 Mn2 O9 Sr4 -","- Cu2.997 Mn6 O27 Sr12 -","3","0.5","","Moore, C.A.; Battle, P.D.","Crystal and magnetic structures of Sr4 M Mn2 O9 (M= Cu or Zn)","Journal of Solid State Chemistry","2003","176","","88","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532917","9.5894","","9.5894","","7.8039","","90","","90","","120","","621.477","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 (Zn0.95 Mn0.05) (Mn2 O9)","","- Mn2.05 O9 Sr4 Zn0.95 -","- Mn2.05 O9 Sr4 Zn0.95 -","- Mn6.15 O27 Sr12 Zn2.85 -","3","0.5","","Moore, C.A.; Battle, P.D.","Crystal and magnetic structures of Sr4 M Mn2 O9 (M = Cu or Zn)","Journal of Solid State Chemistry","2003","176","","88","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","158929","2020-10-21","18:00:00",""
"1532965","9.6091","","9.6091","","7.9448","","90","","90","","120","","635.3","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 (Fe0.73 Rh2.27 O9)","","- Fe0.73 O9 Rh2.27 Sr4 -","- Fe0.737333 O9 Rh2.26267 Sr4 -","- Fe2.212 O27 Rh6.788 Sr12 -","3","0.5","","Mwamuka, J.N.; Gemmill, W.R.; zur Loye, H.C.; Smith, M.D.; Stitzer, K.E.","Crystal growth of new strontium iron rhodium oxides: Sr4 Fe0.73 Rh2.27 O9 and Sr Fe0.71 Rh0.29 O3","Journal of Alloys Compd.","2004","377","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","158984","2020-10-21","18:00:00",""
"1534263","8.405","","8.405","","5.0112","","90","","90","","120","","306.583","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Pb3 Ga2 Ge4 O14","","- Ga2 Ge4 O14 Pb3 -","- Ga2 Ge4 O14 Pb3 -","- Ga2 Ge4 O14 Pb3 -","1","0.166667","","Bezmaternykh, L.N.; Vasil'ev, A.D.; Temerov, V.L.; Gudim, I.A.","The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals","Kristallografiya","2004","49","","325","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","160809","2020-10-21","18:00:00",""
"1534264","8.367","","8.367","","5.4397","","90","","90","","120","","329.796","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ba3 Ga2 Ge4 O14 -","- Ba3 Ga2 Ge4 O14 -","- Ba3 Ga2 Ge4 O14 -","1","0.166667","","Bezmaternykh, L.N.; Vasil'ev, A.D.; Gudim, I.A.; Temerov, V.L.","The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals","Kristallografiya","2004","49","","325","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534566","9.5294","","9.5294","","6.1262","","90","","90","","120","","481.785","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","Ba Sm5 (Si9 Al3 N20) O","","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","1","0.166667","","Lieb, A.; Schnick, W.","Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as secondary building units","Solid State Sciences","2006","8","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536460","8.2101","","8.2101","","5.106","","90","","90","","120","","298.063","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","La3 (Sn Ga3.1 Al1.9 O14)","","- Al1.9 Ga3.1 La3 O14 Sn -","- Al1.902 Ga3.096 La3 O14 Sn -","- Al1.902 Ga3.096 La3 O14 Sn -","1","0.166667","","Park, S.; Keszler, D.A.","Cation ordering in langasite structure types","Solid State Sciences","2002","4","","799","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536463","8.251","","8.251","","5.1456","","90","","90","","120","","303.375","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (Sn Ga5 O14)","","- Ga5 La3 O14 Sn -","- Ga5 La3 O14 Sn -","- Ga5 La3 O14 Sn -","1","0.166667","","Park, S.; Keszler, D.A.","Cation ordering in langasite structure types","Solid State Sciences","2002","4","","799","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537441","10","","10","","6.3","","90","","90","","120","","545.596","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Rb2 (S2 O6)","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Huggins, M.L.; Frank, G.O.","The crystal structure of potassium dithionate, K2 S2 O6","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","165588","2020-10-21","18:00:00",""
"1537680","6.082","","6.082","","3.457","","90","","90","","120","","110.745","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Mn2 P -","- Mn2 P -","- Mn6 P3 -","3","0.5","","Arstad, O.; Nowotny, H.","Roentgenographische Untersuchungen im system Mn-P","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","38","","356","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538488","8.41","","8.41","","4.62","","90","","90","","120","","282.986","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Li2 Ge F6","","- F6 Ge Li2 -","- F6 Ge Li2 -","- F18 Ge3 Li6 -","3","0.5","","Portier, J.; Grannec, J.","Etude radiocristallographique de deux varietes de l'hexafluoro-germanate de lithium Li2 Ge F6","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","269","","327","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538508","8.226","","8.226","","5.1374","","90","","90","","120","","301.059","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","La3 (Zr0.5 Ga0.5) Ga3 (Ga1.5 Si0.5) O14","","- Ga5 La3 O14 Si0.5 Zr0.5 -","- Ga5 La3.036 O14 Si0.5 Zr0.5 -","- Ga5 La3.036 O14 Si0.5 Zr0.5 -","1","0.166667","","Pugacheva, A.A.; Maksimov, B.A.; Simonov, V.I.; Mill', B.V.; Pisarevskii, Yu.V.; Kondakov, D.F.; Chernaya, T.S.; Verin, I.A.; Molchanov, V.N.","Growth and structure of La3 Zr0.5 Ga5 Si0.5 O14 crystals","Kristallografiya","2004","49","","58","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","167098","2020-10-21","18:00:00",""
"1539331","11.42","","11.42","","4.753","","90","","90","","120","","536.822","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Pb (Ge4 O9)","","- Ge4 O9 Pb -","- Ge4 O9 Pb -","- Ge12 O27 Pb3 -","3","0.5","","Shashkov, A.Yu.; Efremov, V.A.; Matsichek, I.; Rannev, N.V.; Trunov, V.K.; Venevtsev, Yu.N.","The crystal structure of lead alpha-tetragermanate","Zhurnal Neorganicheskoi Khimii","1981","26","","583","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539585","13.509","","13.509","","13.408","","90","","90","","120","","2119.05","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","(N H4)2 (Al2 Si2 O8) (H2 O)2.86","","- Al2 H13.72 N2 O10.86 Si2 -","- Al2 N2 O10.8571 Si2 -","- Al14 N14 O76 Si14 -","7","1.16667","","Andries, K.J.; Bosmans, H.J.; Grobet, P.J.","The crystal structure of zeolite Linde Q: A proposal based on powder x-ray diffraction and 27Al and 29Si MAS n.m.r. spectroscopy","Zeolites","1991","11","","124","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541933","23.7437","0.0005","23.7437","0.0005","14.9586","0.0003","90","","90","","120","","7303.3","0.3","200","2","200","2","","","","","","","","7","P 3 2 1","P 3 2""","150","[Ni(ethylendiamine)3]3{V15Sb6O42}*xH2O","'[Ni(C2H8N2)3]3{V15Sb6O42}*xH2O'","","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C54 H216 N54 Ni9 O126 Sb18 V45 -","3","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0691","0.058","","","0.1369","0.1438","","","","","","0.987","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1544912","9.3641","0.0007","9.3641","0.0007","4.9523","0.0003","90","","90","","120","","376.07","0.05","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","CdBi2O6","","CdBi2O6","- Bi2 Cd O6 -","- Bi1.5 Cd0.75 O4.5 -","- Bi6 Cd3 O18 -","4","0.666667","","Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.","Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances","Journal of Asian Ceramic Societies","2015","3","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189490","2020-10-21","18:00:00",""
"1546120","17.5575","0.0007","17.5575","0.0007","28.6921","0.0012","90","","90","","120","","7659.8","0.5","100","","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C142.09 H188.18 Cl5.5 N24 O9.92 -","- C140.408 H166.74 Cl5.4997 N24 O9.9239 -","- C280.816 H333.48 Cl10.9994 N48 O19.8478 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1435","0.1285","","","0.3302","0.3421","","","","","","2.372","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546532","28.3369","0.0004","28.3369","0.0004","58.9056","0.0013","90","","90","","120","","40963","1.2","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C56 H74 N21 O11 P2 -","- C56 H74 N21 O11 P2 -","- C336 H444 N126 O66 P12 -","6","1","","Mungalpara, Disha; Valkonen, Arto; Rissanen, Kari; Kubik, Stefan","Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties","Chem. Sci.","2017","","","","","10.1039/C7SC02700A","","","1.54184","CuKα","","0.1571","0.1378","","","0.3698","0.3929","","","","","","1.355","","","","has coordinates","198705","2020-10-21","18:00:00",""
"1558725","8.515","0.002","8.515","0.002","5.192","0.001","90","","90","","120","","326.01","0.13","","","298","","","","100","","","","","5","P 3 2 1","P 3 2""","150","Ba3TaGa3Si2O14","","","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","- Ba3 Ga3 O14 Si2 Ta -","1","0.166667","","Usui, H.; Kusakabe, H.; Tokuda, M.; Sugiyama, K.; Hoshina, T.; Tsurumi, T.; Takeda, H.","Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method","Journal of the Ceramic Society of Japan","2020","128","","441","446","10.2109/jcersj2.20016","","","","","","","","","","","","","","","","","","","","","has coordinates","254740","2020-10-21","18:00:00",""
"1558996","22.651","0.002","22.651","0.002","15.3431","0.0017","90","","90","","120","","6817.4","1.1","100","2","100","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","[Bis(3,7-dibenzyl-1,5-di(1?-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- tetrafluoroboratoiron(II)] tetrafluoroborate","","- C249 H294 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","1","0.166667","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2191","0.104","","","0.2221","0.2794","","","","","","0.973","","","","has coordinates","256196","2020-10-21","18:00:00",""
"1560195","9.1219","0.0017","9.1219","0.0017","11.932","0.0009","90","","90","","120","","859.8","0.2","293","2","293","2","","","","","","","","8","P 3 2 1","P 3 2""","150","tlapallite","","","- Ca1.81 Cu3 H3 O20.5 Pb0.19 S Sb0.13 Te4.87 -","- Ca1.8065 Cu3 H3 O20.5 Pb0.1935 S Sb0.1339 Te4.8661 -","- Ca3.613 Cu6 H6 O41 Pb0.387 S2 Sb0.2678 Te9.7322 -","2","0.333333","","Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris","The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8","Mineralogical Magazine","2019","83","","439","549","10.1180/mgm.2019.9","","","0.71075","MoKα","","0.0329","0.0296","","","0.0608","0.0625","","","","","","1.072","","","","has coordinates","261187","2021-01-25","09:46:10",""
"1563562","8.7475","0.0012","8.7475","0.0012","8.5124","0.0017","90","","90","","120","","564.09","0.16","93","2","93","2","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- B2 Fe2 K2 O7 -","- B2 Fe2 K2 O7 -","- B6 Fe6 K6 O21 -","3","0.5","","Wang, Yonggang; Li, R.K.","K2Fe2B2O7: A transparent nonlinear optical crystal with frustrated magnetism","Journal of Solid State Chemistry","2010","183","6","1221","1225","10.1016/j.jssc.2010.03.037","","","0.71073","MoKα","","0.0282","0.024","","","0.0523","0.054","","","","","","0.984","","","","has coordinates","266558","2021-06-18","07:29:20",""
"1564234","19.2375","0.0004","19.2375","0.0004","27.0608","0.0006","90","","90","","120","","8673","0.3","100","2","100","2","","","","","","","","10","P 3 2 1","P 3 2""","150","","","","- C118 H154 Ag3 Au6 Cu3 F9 N6 O29 P6 S6 -","- C118 H131.999 Ag3 Au6 Cu3 F9.0003 N6 O21 P6 S6 -","- C236 H263.999 Ag6 Au12 Cu6 F18.0006 N12 O42 P12 S12 -","2","0.333333","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","x-ray","0.71073","MoKα","","0.0268","0.024","","","0.0636","0.0644","","","","","","1.048","","","","has coordinates","267708","2021-07-23","01:54:08",""
"2000203","7.974","0.002","7.974","0.002","4.875","0.001","90","","90","","120","","268.45","0.11","","","","","","","","","","","","5","P 3 2 1","P 3 2""","","","","","- Al3.5 N1.5 Nd3 O12.5 Si2.5 -","- Al4 Nd3 O14 Si2 -","- Al4 Nd3 O14 Si2 -","1","0.166667","AB0206","Käll, P.-O.; Grins, J.; Nygren, M.","Structure of the Nd U-phase, Nd~3~Al~3.5~Si~2.5~O~12.5~N~1.5~; a nitrogen-containing phase of the La~3~Ga~5~GeO~14~ structure type","Acta Crystallographica Section C","1991","47","10","2015","2019","10.1107/S0108270191005024","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002685","10.0644","0.003","10.0644","0.003","8.3911","0.0026","90","","90","","120","","736.1","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Sodium barium copper platinum(IV) oxide (1/4/0.5/1.5/8)","","- Ba4 Cu0.5 Na O8 Pt1.5 -","- Ba4 Cu0.5 Na O8 Pt1.5 -","- Ba12 Cu1.5 Na3 O24 Pt4.5 -","3","0.5","","Tams, G; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie der oxidischen Alkali-Erdalkali- Edelmetall-Perowskite. Synthese und Kristallstruktur von Na Ba4 Cu0.5 Pt1.5 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","585","588","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002724","9.474","0.004","9.474","0.004","7.802","0.007","90","","90","","120","","606.5","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Strontium nickel(IV) oxide (12/7.5/27)","","- Ni7.5 O27 Sr12 -","- Ni7.5 O27 Sr12 -","- Ni7.5 O27 Sr12 -","1","0.166667","","Strunk, M; Mueller-Buschbaum, Hk","Zur Kenntnis eines Strontium-Oxoniccolats(IV): Sr12 Ni7.5 O27","Journal of Alloys Compd.","1994","209","","189","192","10.1016/0925-8388(94)91095-2","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002879","9.429","0.002","9.429","0.002","7.896","0.002","90","","90","","120","","608","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sodium dodecastrontium heptaniccolate(III)","","- Na Ni7 O23 Sr12 -","- Na Ni7 O22.98 Sr12 -","- Na Ni7 O22.98 Sr12 -","1","0.166667","","Strunk, M; Mueller-Buschbaum, Hk","Ein weiteres AlkaliErdalkali‒Oxoniccolat mit Perowskitstruktur: Sr12 Na Ni7 O23","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1565","1568","10.1002/zaac.19946200912","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005540","11.344","0.002","11.344","0.002","4.75","0.002","90","","90","","120","","529.4","0.3","293","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Ge4 O9 Sr -","- Ge4 O9 Sr -","- Ge12 O27 Sr3 -","3","0.5","OH1096","Nishi, F.","Strontium Tetragermanate, SrGe~4~O~9~","Acta Crystallographica Section C","1996","52","10","2393","2395","10.1107/S0108270196006737","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010444","8.204","0.003","8.204","0.003","4.159","0.001","90","","90","","120","","242.42","0.14","291","2","291","2","","","","","","","","4","P 3 2 1","P 3 2""","150","strontium dibromide hexahydrate","","","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","1","0.166667","","Abrahams, Isaac; Vordemvenne, Elke","Strontium Dibromide Hexahydrate","Acta Crystallographica Section C","1995","51","","183","185","","","","","","","","0.0294","","","0.075","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012967","9.5817","0.0002","9.5817","0.0002","7.829","0.0002","90","","90","","120","","622.48","0.02","293","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Tetrastrontium dimanganese copper nonaoxide","","- Cu0.91 Mn2.09 O9 Sr4 -","- Cu0.90733 Mn2.09267 O9 Sr4 -","- Cu2.72199 Mn6.278 O27 Sr12 -","3","0.5","BR1374","El Abed, Ahmed; Gaudin, Etienne; Darriet, Jacques","Tetrastrontium dimanganese copper nonaoxide, Sr~4~Mn~2~CuO~9~","Acta Crystallographica Section C","2002","58","10","i138","i140","10.1107/S0108270102015639","","","0.71073","MoKα","","0.049","0.034","","","0.071","0.076","","","","1.07","1.07","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017772","8.224","0.004","8.224","0.004","5.126","0.001","90","","90","","120","","300.2","0.2","300","2","300","2","","","","","","","","4","P 3 2 1","P 3 2""","150","Langatate","","","- Ga5.61 La3 O14 Ta0.41 -","- Ga5.61 La3 O14 Ta0.41 -","- Ga5.61 La3 O14 Ta0.41 -","1","0.166667","BP5031","Chitra, R.; Choudhury, R. R.","Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study","Acta Crystallographica Section B","2010","66","5","497","502","10.1107/S0108768110031459","","neutron","0.995","neutron","","0.0446","0.0427","","","0.1298","0.135","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017773","8.195","0.007","8.195","0.007","5.118","0.001","90","","90","","120","","297.7","0.4","300","2","300","2","","","","","","","","5","P 3 2 1","P 3 2""","150","Langatate","langtate","","- Ga5.34 La3 O14 Si0.36 Ta0.29 -","- Ga5.338 La3 O14 Si0.36 Ta0.288 -","- Ga5.338 La3 O14 Si0.36 Ta0.288 -","1","0.166667","BP5031","Chitra, R.; Choudhury, R. R.","Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study","Acta Crystallographica Section B","2010","66","5","497","502","10.1107/S0108768110031459","","neutron","0.995","neutron","","0.0472","0.0451","","","0.1304","0.1339","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017774","8.256","0.005","8.256","0.005","5.141","0.002","90","","90","","120","","303.5","0.3","300","2","300","2","","","","","","","","5","P 3 2 1","P 3 2""","150","langtate","langtate","","- Ga5.48 La3 O14 Ta0.03 Zr0.5 -","- Ga5.481 La3 O14 Ta0.027 Zr0.498 -","- Ga5.481 La3 O14 Ta0.027 Zr0.498 -","1","0.166667","BP5031","Chitra, R.; Choudhury, R. R.","Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study","Acta Crystallographica Section B","2010","66","5","497","502","10.1107/S0108768110031459","","neutron","0.995","neutron","","0.0284","0.0269","","","0.069","0.0707","","","","","","1.135","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2021639","9.0363","0.0003","9.0363","0.0003","27.3412","0.0003","90","","90","","120","","1933.43","0.09","293","0.1","293","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- La15 O48 W8.5 -","- La15 O48 W8.499 -","- La30 O96 W16.998 -","2","0.333333","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71073","MoKα","","0.0766","0.0694","","","0.0669","0.0694","","","","1.98","1.98","1.95","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2100484","15.0954","0.0012","15.0954","0.0012","11.8825","0.0008","90","","90","","120","","2344.9","0.3","120","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ag14.52 Cu1.48 S11 Sb2 -","- Ag14.52 Cu1.48 S11 Sb2 -","- Ag58.08 Cu5.92 S43.9999 Sb8 -","4","0.666667","LC5045","M. Evain; L. Bindi; S. Menchetti","Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~","Acta Crystallographica Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","0.71069","MoKα","","0.045","0.0359","","","0.0448","0.0458","","","","","","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103345","16.079","","16.079","","18.411","","90","","90","","120","","4122.17","","","","","","","","","","","","","5","P 3 2 1","","","","","","- C49 H126 In4 Si12 Te4 -","- C49 In4 Si12 Te4 -","- C98 In8 Si24 Te8 -","2","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103501","8.213","","8.213","","5.115","","90","","90","","120","","298.8","","293","2","293","2","","","700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","SN0021","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.042","0.042","","","0.0971","0.0971","","","","","","0.946","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2103502","8.202","","8.202","","5.123","","90","","90","","120","","298.5","","293","2","293","2","","","800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0387","0.0327","","","0.0904","0.1102","","","","","","1.052","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103504","7.981","","7.981","","5.024","","90","","90","","120","","277.1","","293","2","293","2","","","11570000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0494","0.0492","","","0.1499","0.15","","","","","","1.3","","2103503","","has coordinates","215354","2020-10-21","18:00:00",""
"2103505","7.981","","7.981","","5.024","","90","","90","","120","","277.1","","293","2","293","2","","","11570000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0494","0.0491","","","0.1448","0.1449","","","","","","1.249","","2103503","","has coordinates","215354","2020-10-21","18:00:00",""
"2103506","7.991","","7.991","","5.037","","90","","90","","120","","278.5","","293","2","293","2","","","11700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0383","0.0383","","","0.1157","0.1157","","","","","","0.991","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103508","7.972","","7.972","","5.021","","90","","90","","120","","276.3","","293","2","293","2","","","12800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.046","0.046","","","0.1318","0.1318","","","","","","1.098","","2103509","","has coordinates","215354","2020-10-21","18:00:00",""
"2103509","7.972","","7.972","","5.021","","90","","90","","120","","276.3","","293","2","293","2","","","12800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.045","0.045","","","0.1298","0.1298","","","","","","1.074","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103510","7.953","","7.953","","5.023","","90","","90","","120","","275.1","","293","2","293","2","","","13100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0453","0.0446","","","0.1303","0.1308","","","","","","1.077","","2103511","","has coordinates","215354","2020-10-21","18:00:00",""
"2103511","7.953","","7.953","","5.023","","90","","90","","120","","275.1","","293","2","293","2","","","13100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0408","0.0401","","","0.1179","0.1185","","","","","","0.974","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103513","7.944","","7.944","","5.012","","90","","90","","120","","273.9","","293","2","293","2","","","14400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0492","0.0492","","","0.1526","0.1526","","","","","","1.289","","2103512","","has coordinates","215354","2020-10-21","18:00:00",""
"2103514","7.944","","7.944","","5.012","","90","","90","","120","","273.9","","293","2","293","2","","","14400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0508","0.0508","","","0.1611","0.1611","","","","","","1.348","","2103512","","has coordinates","215354","2020-10-21","18:00:00",""
"2103515","7.864","","7.864","","5.007","","90","","90","","120","","268.2","","293","2","293","2","","","15600000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0699","0.0695","","","0.1827","0.1836","","","","","","1.432","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103516","7.864","","7.864","","5.007","","90","","90","","120","","268.2","","293","2","293","2","","","15600000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0701","0.0696","","","0.1815","0.1823","","","","","","1.411","","2103515","","has coordinates","215354","2020-10-21","18:00:00",""
"2103518","7.872","","7.872","","4.999","","90","","90","","120","","268.3","","293","2","293","2","","","16700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0888","0.0873","","","0.2543","0.2573","","","","","","1.695","","2103517","","has coordinates","215354","2020-10-21","18:00:00",""
"2103519","7.872","","7.872","","4.999","","90","","90","","120","","268.3","","293","2","293","2","","","16700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0843","0.0828","","","0.2456","0.2486","","","","","","1.64","","2103517","","has coordinates","215354","2020-10-21","18:00:00",""
"2103521","7.783","","7.783","","4.994","","90","","90","","120","","262","","293","2","293","2","","","18500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0938","0.0901","","","0.2385","0.2405","","","","","","1.775","","2103520","","has coordinates","215354","2020-10-21","18:00:00",""
"2103522","7.783","","7.783","","4.994","","90","","90","","120","","262","","293","2","293","2","","","18500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0874","0.0839","","","0.2301","0.232","","","","","","1.717","","2103520","","has coordinates","215354","2020-10-21","18:00:00",""
"2103523","8.188","","8.188","","5.113","","90","","90","","120","","296.9","","293","2","293","2","","","1800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.6503","","","0.0334","0.0324","","","0.0703","0.0706","","","","","","0.925","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103525","7.692","","7.692","","4.985","","90","","90","","120","","255.4","","293","2","293","2","","","21850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1488","0.1452","","","0.3549","0.356","","","","","","2.346","","2103524","","has coordinates","215354","2020-10-21","18:00:00",""
"2103526","7.695","","7.695","","4.985","","90","","90","","120","","255.6","","293","2","293","2","","","21850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1463","0.1429","","","0.3471","0.3481","","","","","","2.307","","2103524","","has coordinates","215354","2020-10-21","18:00:00",""
"2103528","7.68","","7.68","","4.97","","90","","90","","120","","253.9","","293","2","293","2","","","22850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1375","0.1322","","","0.3411","0.343","","","","","","2.537","","2103527","","has coordinates","215354","2020-10-21","18:00:00",""
"2103529","8.167","","8.167","","5.098","","90","","90","","120","","294.5","","293","2","293","2","","","2300000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5588","","","0.0396","0.0396","","","0.1069","0.1069","","","","","","0.97","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103530","8.155","","8.155","","5.091","","90","","90","","120","","293.2","","293","2","293","2","","","3300000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0376","0.0373","","","0.1082","0.1088","","","","","","1.038","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103531","8.158","","8.158","","5.099","","90","","90","","120","","293.9","","293","2","293","2","","","3000000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.04","0.0389","","","0.1249","0.1364","","","","","","1.138","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103532","8.135","","8.135","","5.09","","90","","90","","120","","291.7","","293","2","293","2","","","4500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.6503","","","0.0327","0.0327","","","0.089","0.089","","","","","","0.909","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103533","8.126","","8.126","","5.083","","90","","90","","120","","290.7","","293","2","293","2","","","4800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0439","0.0439","","","0.1315","0.1315","","","","","","1.076","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103534","8.116","","8.116","","5.086","","90","","90","","120","","290.1","","293","2","293","2","","","5100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.54 La3 O14 Ta0.46 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0336","0.0335","","","0.0737","0.0738","","","","","","0.716","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103535","8.121","","8.121","","5.084","","90","","90","","120","","290.4","","293","2","293","2","","","5200000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0386","0.0384","","","0.1284","0.1286","","","","","","1.218","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103536","8.105","","8.105","","5.074","","90","","90","","120","","288.7","","293","2","293","2","","","6100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0415","0.0412","","","0.0982","0.0984","","","","","","0.925","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103537","8.089","","8.089","","5.064","","90","","90","","120","","287","","293","2","293","2","","","6640000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0398","0.0391","","","0.106","0.1075","","","","","","1.016","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103538","8.084","","8.084","","5.069","","90","","90","","120","","286.9","","293","2","293","2","","","6800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0311","0.0308","","","0.0796","0.08","","","","","","1.003","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103539","8.072","","8.072","","5.065","","90","","90","","120","","285.8","","293","2","293","2","","","7400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.55885","","","0.0319","0.0319","","","0.0999","0.0999","","","","","","0.951","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103540","8.06","","8.06","","5.06","","90","","90","","120","","284.7","","293","2","293","2","","","7700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.047","0.047","","","0.139","0.139","","","","","","1.241","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103541","8.069","","8.069","","5.062","","90","","90","","120","","285.4","","293","2","293","2","","","7800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0446","0.0446","","","0.1081","0.1081","","","","","","1.028","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103542","8.063","","8.063","","5.059","","90","","90","","120","","284.8","","293","2","293","2","","","8150000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O18 Ta0.5 -","- Ga5.5 La3 O18 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7093","","","0.0541","0.0528","","","0.125","0.1258","","","","","","1.16","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103543","8.022","","8.022","","5.046","","90","","90","","120","","281.2","","293","2","293","2","","","9500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0469","0.0469","","","0.1432","0.1432","","","","","","1.292","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103544","8.024","","8.024","","5.049","","90","","90","","120","","281.5","","293","2","293","2","","","9670000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0387","0.0383","","","0.1055","0.1069","","","","","","0.886","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103545","8.014","","8.014","","5.046","","90","","90","","120","","280.7","","293","2","293","2","","","9900000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0412","0.0409","","","0.1111","0.1122","","","","","","0.973","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2106046","6.671","","6.671","","12.288","","90","","90","","120","","473.58","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Ni31 Si12 -","- Ni31 Si12 -","- Ni31 Si12 -","1","0.166667","","Frank, K.; Schubert, K.","Kristallstruktur von Ni31 Si12","Acta Crystallographica B (24,1968-38,1982)","1971","27","","916","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310825","6.971","","6.971","","6.165","","90","","90","","120","","259.45","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Hg2 N H Br2","","- Br2 H Hg2 N -","- Br2 Hg2 N -","- Br4 Hg4 N2 -","2","0.333333","","Brodersen, K.","Die Struktur von Hg2 N H Br2","Acta Crystallographica (1,1948-23,1967)","1955","8","","723","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000108","8.555","0.0012","8.555","0.0012","8.443","0.0013","90","","90","","120","","535.14","0.13","98","","98","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0261","0.0226","","","0.0255","0.0259","","","","1.56","1.56","1.52","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000109","8.5592","0.0012","8.5592","0.0012","8.4485","0.0013","90","","90","","120","","536.01","0.13","123","","123","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0282","0.0228","","","0.0234","0.0241","","","","1.37","1.37","1.34","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000110","8.5852","0.0013","8.5852","0.0013","8.4855","0.0014","90","","90","","120","","541.64","0.15","173","","173","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0251","0.0215","","","0.0224","0.0229","","","","1.34","1.34","1.31","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000111","8.5683","0.0012","8.5683","0.0012","8.4633","0.0013","90","","90","","120","","538.1","0.13","223","","223","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0253","0.0214","","","0.0215","0.022","","","","1.25","1.25","1.22","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000112","8.5843","0.0009","8.5843","0.0009","8.486","0.002","90","","90","","120","","541.56","0.15","298","","298","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0269","0.0226","","","0.0231","0.0236","","","","1.32","1.32","1.27","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000113","8.5987","0.0013","8.5987","0.0013","8.5052","0.0015","90","","90","","120","","544.6","0.15","348","","348","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0313","0.0252","","","0.0229","0.0237","","","","1.23","1.23","1.19","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000203","10.51452","0.00006","10.51452","0.00006","6.59148","0.00008","90","","90","","120","","631.092","0.009","298","","298","","","","1","","","","","3","P 3 2 1","P 3 2""","150","Tetralithium thiodiphosphate","Tetralithium thiodiphosphate","","- Li4 P2 S6 -","- Li4 P2 S6 -","- Li12 P6 S18 -","3","0.5","","Neuberger, Sven; Culver, Sean P; Eckert, Hellmut; Zeier, Wolfgang G; Schmedt Auf der Günne, Jörn","Refinement of the crystal structure of Li<sub>4</sub>P<sub>2</sub>S<sub>6</sub> using NMR crystallography.","Dalton transactions (Cambridge, England : 2003)","2018","47","","11691","11695","10.1039/c8dt02619j","powder diffraction","x-ray","1.54056","CuKα~1~","","3.22","","","","","","","","1.92","","","","","","","has coordinates","210019","2020-10-21","18:00:00",""
"4000562","8.3887","0.0006","8.3887","0.0006","8.0804","0.0008","90","","90","","120","","492.44","0.07","293","2","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K0.96 Na1.04 O7 -","- Al2 B2 K0.959 Na1.041 O6.99 -","- Al6 B6 K2.877 Na3.123 O20.97 -","3","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050142y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4002501","9.5767","","9.5767","","7.972","","90","","90","","120","","633.184","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","(Sr0.825 Ca0.175)4 Co1.35 Rh1.65 O9","","- Ca0.7 Co1.35 O9 Rh1.65 Sr3.3 -","- Ca0.7 Co1.34667 O9 Rh1.65333 Sr3.3 -","- Ca2.1 Co4.04 O27 Rh4.96 Sr9.9 -","3","0.5","","Hernando, M.; Boulahya, K.; Martinez, J.L.; Parras, M.; Varela, A.; Gonzalez-Calbet, J.M.","Structural and magnetic study of Sr3.3 Ca0.7 Co Rh2 O9: a new partially ordered antiferromagnetic system","Chemistry of Materials (1,1989-)","2002","14","","4948","4954","","","","","","","","","","","","","","","","","","","","","","has coordinates","156885","2020-10-21","18:00:00",""
"4002546","9.5852","","9.5852","","7.8266","","90","","90","","120","","622.739","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Mn2 Co O9","","- Co Mn2 O9 Sr4 -","- Co Mn2 O9 Sr4 -","- Co3 Mn6 O27 Sr12 -","3","0.5","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.","Synthesis, structural characterization and magnetic study of Sr4 Mn2 Co O9","Chemistry of Materials (1,1989-)","2003","15","","3537","3542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4004012","8.616","0.003","8.616","0.003","5.198","0.003","90","","90","","120","","334.2","0.3","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 Ge3 O14 Te Zn2 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0255","0.025","","","0.0748","0.0749","","","","","","1.299","","","","has coordinates,has disorder","267743","2021-07-25","22:29:39",""
"4004013","8.3223","0.0005","8.3223","0.0005","5.0551","0.0005","90","","90","","120","","303.21","0.04","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Sr3 Te Zn2 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0358","0.0344","","","0.1055","0.1064","","","","","","1.266","","","","has coordinates,has disorder","267744","2021-07-25","22:30:02",""
"4004014","8.5194","0.0006","8.5194","0.0006","5.1235","0.0006","90","","90","","120","","322.04","0.05","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Pb3 Te Zn2 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0337","0.0327","","","0.0647","0.0652","","","","","","1.083","","","","has coordinates,has disorder","267745","2021-07-25","22:30:23",""
"4030184","8.711","0.001","8.711","0.001","4.653","0.001","90","","90","","120","","305.77","0.08","","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- F6 Li Mn V -","- F6 Li Mn V -","- F18 Li3 Mn3 V3 -","3","0.5","","Courbion, G.; Jacoboni, C.; Wolfers, P.","Na2SiF6 and ordered trirutile-types : crystal and magnetic structure of alpha- and beta-LiMnVF6","European Journal of Solid State and Inorganic Chemistry","1988","25","","359","374","","","x-ray","0.71069","MoKα","","","0.0242","","","0.0344","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4086531","31.4303","0.0016","31.4303","0.0016","9.5684","0.0005","90","","90","","120","","8185.9","0.7","100","2","100","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","tribromononacarbonyl(tris-(4-[2,?2',?6',?2""-?terpyridyl]?benzyl)? cyclotriguaiacylene)trirhenhium(I) dimethylsulfoxide clathrate","","- C101 H74 Br3 N9 O16 Re3 S -","- C100.99 H69 Br3 N9 O15.99 Re3 S0.99 -","- C201.98 H138 Br6 N18 O31.98 Re6 S1.98 -","2","0.333333","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.0974","0.0779","","","0.2004","0.2129","","","","","","1.1","","","","has coordinates","183474","2020-10-21","18:00:00",""
"4115955","10.7012","0.0005","10.7012","0.0005","16.349","0.001","90","","90","","120","","1621.39","0.15","203","","203","2","","","","","","","see text","7","P 3 2 1","P 3 2""","150","","Λambda‒Tris(2,2'-bibpyridyl)ruthenium(II) Δelta‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","- C60 H48 F24 N12 Os P4 Ru -","1","0.166667","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0313","0.0252","","","0.047","0.048","","","","","","0.862","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4120720","15.9786","0.0018","15.9786","0.0018","11.6916","0.0013","90","","90","","120","","2585.1","0.5","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","MnCrL","","","- C39 H60 Cr Mn N4 P3 -","- C39 H60 Cr Mn N4 P3 -","- C78 H120 Cr2 Mn2 N8 P6 -","2","0.333333","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0634","0.0472","","","0.1129","0.1237","","","","","","0.989","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4121243","23.3227","0.0003","23.3227","0.0003","25.7815","0.0004","90","","90","","120","","12145","0.3","120","2","120","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C200 H240 F24 Fe4 N24 O24 S8 -","- C197.49 H240 F16.47 Fe4 N24 O16.47 S5.49 -","- C394.98 H480 F32.94 Fe8 N48 O32.94 S10.98 -","2","0.333333","","Ana M. Castilla; Naoki Ousaka; Rana A. Bilbeisi; Elisa Valeri; Tanya K. Ronson; Jonathan R. Nitschke","High-Fidelity Stereochemical Memory in a FeII4L4 Tetrahedral Capsule","Journal of the American Chemical Society","2013","135","","17999","18006","10.1021/ja410117q","","","1.5418","CuKα","","0.0848","0.08","","","0.2196","0.2259","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4125021","8.2767","0.0003","8.2767","0.0003","5.1763","0.0004","90","","90","","120","","307.09","0.03","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0217","0.0208","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125022","8.4744","0.0003","8.4744","0.0003","5.2818","0.0004","90","","90","","120","","328.5","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0161","0.0161","","","0.0375","0.0375","","","","","","1.174","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125023","8.3831","0.0003","8.3831","0.0003","5.193","0.0004","90","","90","","120","","316.05","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0208","0.0206","","","0.0531","0.0533","","","","","","1.095","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125024","8.4072","0.0004","8.4072","0.0004","5.2158","0.0005","90","","90","","120","","319.27","0.04","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0144","0.014","","","0.0328","0.033","","","","","","0.958","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125025","8.4151","0.0003","8.4151","0.0003","5.17","0.0004","90","","90","","120","","317.06","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.017","0.017","","","0.0402","0.0402","","","","","","1.197","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125026","8.608","0.002","8.608","0.002","5.186","0.003","90","","90","","120","","332.8","0.2","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0429","0.0425","","","0.0974","0.0977","","","","","","1.152","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4126340","21.1963","0.0004","21.1963","0.0004","35.505","0.0017","90","","90","","120","","13814.7","0.8","200","2","200","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","","","- C144 H310 K1.5 Na0.5 O217 P2 Rb4 W18 -","- C144 K0.5 Na0.5 O207.5 P2 Rb3 W18 -","- C288 K Na O415 P4 Rb6 W36 -","2","0.333333","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.0778","0.0492","","","0.1282","0.1456","","","","","","1.017","","","","has coordinates","200095","2020-10-21","18:00:00",""
"4130982","22.7774","0.0012","22.7774","0.0012","12.8368","0.0006","90","","90","","120","","5767.6","0.5","100","2","100.15","","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C112 H105 Eu F9 N9 O25 S3 -","- C112 H105.001 Eu F9 N9 O25.0002 S3 -","- C224 H210.001 Eu2 F18 N18 O50.0004 S6 -","2","0.333333","","Gil-Ramírez, Guzmán; Hoekman, Steven; Kitching, Matthew O.; Leigh, David A.; Vitorica-Yrezabal, Iñigo J; Zhang, Gen","Tying a Molecular Overhand Knot of Single Handedness and Asymmetric Catalysis with the Corresponding Pseudo-D<sub>3</sub>-Symmetric Trefoil Knot.","Journal of the American Chemical Society","2016","138","40","13159","13162","10.1021/jacs.6b08421","","x-ray","0.6889","","","0.1502","0.1144","","","0.3021","0.3394","","","","","","1.093","","","","has coordinates,has disorder","241302","2020-10-21","18:00:00",""
"4133180","22.378","0.002","22.378","0.002","7.1487","0.0007","90","","90","","120","","3100.3","0.5","100","0.1","100","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C42 H99 Cl6 N6 O16.5 -","- C42 H66 Cl6 N6 O16.4999 -","- C84 H132 Cl12 N12 O32.9998 -","2","0.333333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.118","0.1137","","","0.3002","0.3072","","","","","","1.372","","","","has coordinates,has disorder","243016","2020-10-21","18:00:00",""
"4134826","8.65271","","8.65271","","15.0844","","90","","90","","120","","978.054","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C4 H8 B N2 O3 Zn2 -","- C4 H8 B N2 O3 Zn2 -","- C24 H48 B6 N12 O18 Zn12 -","6","1","","Cao, Lei; Dai, Pengcheng; Tang, Jing; Li, Dong; Chen, Ruihua; Liu, Dandan; Gu, Xin; Li, Liangjun; Bando, Yoshio; Ok, Yong Sik; Zhao, Xuebo; Yamauchi, Yusuke","Spherical Superstructure of Boron Nitride Nanosheets Derived from Boron-Containing Metal-Organic Frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01023","","","","","","","","","","","","","","","","","","","","","has coordinates","251276","2020-10-21","18:00:00",""
"4306358","13.7651","0.0002","13.7651","0.0002","19.7522","0.0003","90","","90","","120","","3241.19","0.08","100","2","100","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C6 H21 Co14 K O34 -","- C6 H21 Co14 K O34 -","- C24 H84 Co56 K4 O136 -","4","0.666667","","Xian-Ming Zhang; Xu-Hui Zhang; Hai-Shun Wu; Ming-Liang Tong; Seik Weng Ng","Hybrid Cobalt Hydroxyoxalate Material Containing 3D Co-O-Co Connectivity and Showing Ferrimagnetic Ordering","Inorganic Chemistry","2008","47","","7462","7464","10.1021/ic8012014","","","0.71073","MoKα","","0.0547","0.0486","","","0.1478","0.1536","","","","","","1.039","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4307049","25.4465","0.0003","25.4465","0.0003","13.2492","0.0003","90","","90","","120","","7429.8","0.2","90","0.2","90","0.2","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C24 H84.7 Br La3 O90.35 S28 W12 -","- C24 Br La3 O90.345 S28 W12 -","- C48 Br2 La6 O180.69 S56 W24 -","2","0.333333","","Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin","Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes","Inorganic Chemistry","2007","46","","2115","2123","10.1021/ic061540l","","","0.71073","MoKα","","0.0275","0.0247","","","0.0638","0.065","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307050","25.3218","0.0006","25.3218","0.0006","13.2303","0.0005","90","","90","","120","","7346.7","0.4","90","2","90","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C24 H85.9 Br Ce3 O90.95 S28 W12 -","- C24 Br Ce3 O90.96 S28 W12 -","- C48 Br2 Ce6 O181.92 S56 W24 -","2","0.333333","","Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin","Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes","Inorganic Chemistry","2007","46","","2115","2123","10.1021/ic061540l","","","0.71073","MoKα","","0.0464","0.0363","","","0.0849","0.0925","","","","","","0.751","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311299","11.855","0.004","11.855","0.004","9.479","0.005","90","","90","","120","","1153.7","0.8","93.1","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C18 H22.5 B0.5 F2 Fe N10 -","- C18 H22.5 B0.5 F1.5 Fe N10 -","- C36 H45 B F3 Fe2 N20 -","2","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.051","","","","0.129","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311300","11.8898","0.0009","11.8898","0.0009","9.4759","0.0009","90","","90","","120","","1160.11","0.17","293.1","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C18 H22.5 B0.5 F2 Fe N10 -","- C18 H22.5 B0.25 F1.5 Fe N10 -","- C36 H45 B0.5 F3 Fe2 N20 -","2","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.061","","","","0.146","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316636","18.184","0.003","18.184","0.003","15.147","0.003","90","","90","","120","","4337.5","1.3","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","tris(1,2-bis(methylselenomethyl)benzene)tetrakis(trichlorobismuth(III))","","- C30 H42 Bi4 Cl12 Se6 -","- C30 H42 Bi4 Cl12 Se6 -","- C90 H126 Bi12 Cl36 Se18 -","3","0.5","","William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang","Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands","Inorganic Chemistry","2010","49","","9036","9048","10.1021/ic101296e","","","0.71073","MoKα","","0.0806","0.0567","","","0.1112","0.123","","","","","","1.088","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4331706","16.955","0.002","16.955","0.002","14.653","0.003","90","","90","","120","","3648","1","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 N12 O60 Y7 -","- C144 H108 Cl4 N12 O60 Y7 -","- C144 H108 Cl4 N12 O60 Y7 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.066","0.061","","","0.1712","0.1771","","","","","","1.038","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331708","16.943","0.005","16.943","0.005","14.707","0.006","90","","90","","120","","3656","2","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 La7 N12 O60 -","- C144 H108 Cl4 La7 N12 O60 -","- C144 H108 Cl4 La7 N12 O60 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0681","0.0632","","","0.1726","0.1793","","","","","","1.074","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331710","17.061","0.002","17.061","0.002","14.757","0.003","90","","90","","120","","3720","1","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 Gd7 N12 O60 -","- C144 H108 Cl4 Gd7 N12 O60 -","- C144 H108 Cl4 Gd7 N12 O60 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.083","0.0784","","","0.1886","0.1925","","","","","","1.023","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331715","16.9779","0.0006","16.9779","0.0006","14.6965","0.0008","90","","90","","120","","3668.7","0.3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H127 Cl4 Dy7 N12 O58 -","- C144 H108 Cl4 Dy7 N12 O58 -","- C144 H108 Cl4 Dy7 N12 O58 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0449","0.0438","","","0.1259","0.127","","","","","","1.02","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331717","16.9317","0.0005","16.9317","0.0005","14.6966","0.0008","90","","90","","120","","3648.8","0.3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H127 Cl4 Er7 N12 O58 -","- C144 H108 Cl4 Er7 N12 O58 -","- C144 H108 Cl4 Er7 N12 O58 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0474","0.0439","","","0.1049","0.1076","","","","","","1.061","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331719","16.923","0.006","16.923","0.006","14.646","0.007","90","","90","","120","","3632","3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 N12 O60 Yb7 -","- C144 H108 Cl4 N12 O60 Yb7 -","- C144 H108 Cl4 N12 O60 Yb7 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0547","0.054","","","0.1395","0.1401","","","","","","1.075","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4340969","8.007","0.0011","8.007","0.0011","4.888","0.001","90","","90","","120","","271.39","0.08","293","2","293","2","","","","","","","","4","P 3 2 1","P 3 2""","150","Strontium Borogermanate","","","- B1.68 Ge4.32 O14 Sr2.84 -","- B1.68 Ge4.32 O14 Sr2.85 -","- B1.68 Ge4.32 O14 Sr2.85 -","1","0.166667","","Petermüller, Benedikt; Petschnig, Lucas L.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert","Synthesis and characterization of the new strontium borogermanate Sr(3-x/2)B(2-x)Ge(4+x)O₁₄ (x = 0.32).","Inorganic chemistry","2014","53","18","9722","9728","10.1021/ic5012296","","","0.71073","MoKα","","0.0281","0.027","","","0.0666","0.0671","","","","","","1.099","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4343896","16.067","0.003","16.067","0.003","11.673","0.002","90","","90","","120","","2609.7","0.8","173","2","173","2","","","","","","","","5","P 3 2 1","P 3 2""","150","12189","","","- C39 H60 Cr2 N4 P3 -","- C39 H60 Cr2 N4 P3 -","- C78 H120 Cr4 N8 P6 -","2","0.333333","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0699","0.0466","","","0.0903","0.0972","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4347762","25.6462","0.0001","25.6462","0.0001","25.6573","0.0002","90","","90","","120","","14614.6","0.14","100","0.2","100","0.2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C162 H234 N36 O54 Zn9 -","- C162 H234 N36 O54 Zn9 -","- C324 H468 N72 O108 Zn18 -","2","0.333333","","Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian","Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.","Inorganic chemistry","2016","55","11","5095","5097","10.1021/acs.inorgchem.6b00574","","","1.54178","CuKα","","0.093","0.089","","","0.2545","0.2627","","","","","","1.013","","","","has coordinates","232490","2020-10-21","18:00:00",""
"4348652","15.8611","0.0016","15.8611","0.0016","11.7814","0.0012","90","","90","","120","","2566.8","0.4","173","2","173","2","","","","","","","","5","P 3 2 1","P 3 2""","150","LFe2","","","- C39 H60 Fe2 N4 P3 -","- C39 H60 Fe2 N4 P3 -","- C78 H120 Fe4 N8 P6 -","2","0.333333","","Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.","Inorganic chemistry","2016","55","19","9725","9735","10.1021/acs.inorgchem.6b01487","","","0.71073","MoKα","","0.0608","0.0383","","","0.0662","0.0704","","","","","","0.774","","","","has coordinates","233228","2020-10-21","18:00:00",""
"5910302","7.39","","7.39","","8.93","","90","","90","","120","","422.349","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Tricesium arsenic nonachloride","","- As2 Cl9 Cs3 -","- As4 Cl45 Cs9 -","- As4 Cl45 Cs9 -","","","","Wyckoff, R. W. G.","Page 475-477 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","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000287","10.1344","","10.1344","","35.0564","","90","","90","","120","","3118.14","","","","","","","","","","","","","4","P 3 2 1","","","","","","- Ba16 Cu3 Ir10 O39 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000636","9.6854","","9.6854","","8.0473","","90","","90","","120","","653.75","","","","4.5","","","","","","","","","4","P 3 2 1","","","","","","- Cu Ir2 O9 Sr4 -","","","","","","Battle, P. D.; Blake, G. R.; Sloan, J.; Vente, J. F.","Commensurate and incommensurate phases in the system A(4)A ' Ir2O9 (A = Sr, Ba; a ' = Cu, Zn)","Journal of Solid State Chemistry","1998","136","","103","114","10.1006/jssc.1997.7666","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7021651","17.75","0.003","17.75","0.003","19.192","0.004","90","","90","","120","","5236.6","1.7","100","2","100","2","","","100","","","","","5","P 3 2 1","P 3 2""","150","CFA-1","","","- C44 H30 N18 O8 Zn5 -","- C44 H29.97 N18 O7.98 Zn5 -","- C88 H59.94 N36 O15.96 Zn10 -","2","0.333333","","Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk","CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10786","10797","10.1039/c3dt50787d","","x-ray","0.88561","synchrotron","","0.0494","0.045","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021652","17.7771","0.0007","17.7771","0.0007","19.1129","0.0016","90","","90","","120","","5230.9","0.5","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","Co-CFA1","","","- C44 H30 Co1.34 N18 O8 Zn3.66 -","- C44 H29.97 Co1.35 N18 O7.98 Zn3.65 -","- C88 H59.94 Co2.7 N36 O15.96 Zn7.3 -","2","0.333333","","Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk","CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10786","10797","10.1039/c3dt50787d","powder diffraction","","1.54051","CuKα","","0.0653","0.0626","","0.0642","0.0637","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033985","21.817","0.003","21.817","0.003","16.96","0.003","90","","90","","120","","6991.1","1.8","99.99","0.1","99.99","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C120 H165 Mg4 N3 O15 -","- C120 H165 Mg4 N3 O15 -","- C240 H330 Mg8 N6 O30 -","2","0.333333","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.1618","0.0897","","","0.2114","0.2538","","","","","","0.9","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034276","26.9516","0.0002","26.9516","0.0002","13.0398","0.0002","90","","90","","120","","8202.96","0.15","150","0.14","150","0.14","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C72 H66 Cl2 Cu4 N8 O43 -","- C72 H66 Cl2 Cu4 N8 O43 -","- C216 H198 Cl6 Cu12 N24 O129 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0637","0.0613","","","0.1678","0.171","","","","","","1.054","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034277","26.9979","0.0004","26.9979","0.0004","13.0953","0.0002","90","","90","","120","","8266.2","0.2","150","2","150","0.1","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C72 H66 Cl2 Cu4 N8 O43 -","- C72 H66 Cl2 Cu4 N8 O43 -","- C216 H198 Cl6 Cu12 N24 O129 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0824","0.0807","","","0.2077","0.2092","","","","","","1.06","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7044000","12.362","0.0018","12.362","0.0018","31.321","0.006","90","","90","","120","","4145.2","1.2","100","2","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C78 H113 Gd2 N14 O10 -","- C78 H105 Gd2 N14 O6 -","- C156 H210 Gd4 N28 O12 -","2","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.1244","0.0762","","","0.1829","0.2115","","","","","","1.056","","","","has coordinates,has disorder","199871","2020-10-21","18:00:00",""
"7047340","22.6407","0.0011","22.6407","0.0011","19.7106","0.001","90","","90","","120","","8750","0.7","293","2","293","2","","","","","","","","9","P 3 2 1","P 3 2""","150","","","","- C18 H24 As2 K14 N6 Ni3 O96 P6 W12 -","- C18 H24 As2 K14 N6 Ni3 O96 P6 W12 -","- C54 H72 As6 K42 N18 Ni9 O288 P18 W36 -","3","0.5","","Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang","Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13479","13486","10.1039/c8dt02590h","","","0.71073","MoKα","","0.0505","0.0418","","","0.1018","0.1067","","","","","","1.039","","","","has coordinates,has disorder","230013","2020-10-21","18:00:00",""
"7058152","22.848","0.001","22.848","0.001","20.33","0.002","90","","90","","120","","9191","1.1","170.15","","170.15","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C52 H37 N7 O30 Zn6 -","- C52 H37 N7 O30 Zn6 -","- C156 H111 N21 O90 Zn18 -","3","0.5","","Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping","Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions","New Journal of Chemistry","2019","43","10","4226","","10.1039/C8NJ05139A","","","0.71073","MoKα","","0.0861","0.0644","","","0.1564","0.1749","","","","","","1.026","","","","has coordinates,has disorder","224690","2020-10-21","18:00:00",""
"7058499","14.1696","0.0004","14.1696","0.0004","12.1596","0.0004","90","","90","","120","","2114.29","0.11","293","2","293","2","","","","","","","synstehsized","6","P 3 2 1","P 3 2""","150","","","","- C36 H48 N3 Ni1.5 O9 S3 -","- C36 H48 N3 Ni1.5 O9 S3 -","- C36 H48 N3 Ni1.5 O9 S3 -","1","0.166667","","Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra","The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand","New Journal of Chemistry","2019","43","28","11222","","10.1039/C9NJ02573A","","x-ray","0.71073","MoKα","","0.0495","0.0405","","","0.1016","0.107","","","","","","1.05","","","","has coordinates","224677","2020-10-21","18:00:00",""
"7100151","26.209","0.002","26.209","0.002","12.7517","0.0016","90","","90","","120","","7586.1","1.3","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C80 H91.33 Cd Cl6 N6 O20.67 -","- C80 H80 Cd Cl6 N6 O20.6667 -","- C240 H240 Cd3 Cl18 N18 O62 -","3","0.5","","Wenbin Lin; Chuan-De Wu","A chiral porous 3D metal-organic framework with an unprecdented 4-connected network topology","Chemical Communications","2005","","","","","10.1039/b505916j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7112281","18.1402","0.001","18.1402","0.001","18.114","0.002","90","","90","","120","","5162.1","0.7","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C13 H8 Cu N3 O5 -","- C13 H8 Cu N3 O5 -","- C78 H48 Cu6 N18 O30 -","6","1","","Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli","""Click""-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.","Chemical communications (Cambridge, England)","2014","50","36","4683","4685","10.1039/c3cc49457h","","","0.71073","MoKα","","0.1497","0.0773","","","0.168","0.1845","","","","","","1.035","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7115692","15.778","0.0013","15.778","0.0013","28.032","0.005","90","","90","","120","","6043.5","1.3","296","2","296","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C186 H102 In9 N30 O72 Ru2 -","- C186 H102 In9 N30 O72 Ru1.704 -","- C186 H102 In9 N30 O72 Ru1.704 -","1","0.166667","","Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun","Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules","Chem.Commun.","2014","50","","11653","","10.1039/C4cc03588G","","","0.71073","MoKα","","0.081","0.0701","","","0.1681","0.1742","","","","","","1.066","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7126797","25.6587","0.0008","25.6587","0.0008","10.1334","0.0005","90","","90","","120","","5777.7","0.4","100","2","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C93 H78 N9 O19 Zn4 -","- C93 H78 N9 O19 Zn4 -","- C186 H156 N18 O38 Zn8 -","2","0.333333","","Tang, Haitong; Yang, Keke; Wang, Kun-Yu; Meng, Qi; Wu, Fan; Fang, Yu; Wu, Xiang; Li, Yougui; Zhang, WenCheng; Luo, Yunfei; Zhu, Chengfeng; Zhou, Hong-Cai","Engineering a homochiral metal-organic framework based on an amino acid for enantioselective separation.","Chemical communications (Cambridge, England)","2020","56","63","9016","9019","10.1039/d0cc00897d","","","0.65247","Synchrotron","","0.0739","0.0663","","","0.1837","0.1905","","","","","","1.066","","","","has coordinates,has disorder","255954","2020-10-21","18:00:00",""
"7208708","12.5886","0.0006","12.5886","0.0006","9.218","0.0004","90","","90","","120","","1265.09","0.1","93.1","","93.1","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0616","","","","0.1822","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208709","12.6333","0.0005","12.6333","0.0005","9.258","0.0004","90","","90","","120","","1279.62","0.09","293","","293","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0618","","","","0.1905","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222629","6.985","","6.985","","6.165","","90","","90","","120","","260.493","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Hg2 (N H) Br2","","- Br2 H Hg2 N -","- Br2 Hg2 N -","- Br4 Hg4 N2 -","2","0.333333","","Brodersen, K.; Ruedorff, W.","Ueber die Struktur des Hg2 N H Br2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","164","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7229761","8.0801","0.0006","8.0801","0.0006","4.9553","0.0004","90","","90","","120","","280.18","0.04","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","1","0.166667","","Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki","Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors","RSC Advances","2017","7","89","56697","","10.1039/C7RA11926G","","","0.71073","MoKα","","0.0237","0.0237","","","0.0597","0.0597","","","","","","1.212","","","","has coordinates","204308","2020-10-21","18:00:00",""
"7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7248175","8.112","0.001","8.112","0.001","4.9862","0.0006","90","","90","","120","","284.16","0.06","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Tricalcium Tantalum Trigallodisilicate","Langasite","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke","Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method","CrystEngComm","2024","26","11","1550","1555","10.1039/D3CE01126G","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","290899","2024-04-04","23:09:52",""
"8100499","8.1081","0.0004","8.1081","0.0004","4.985","0.0004","90","","90","","120","","283.81","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","calcium tantalum gallosilicate","","","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Wang, Zeng-Mei; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang; Shi, Xu-Zhong; Xu, Dong; Lv, Meng-Kai","Crystal structure of tricalcium tantalum trigallium disilicon oxide, Ca~3~TaGa~3~Si~2~O~14~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","389","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8101619","8.5657","0.0009","8.5657","0.0009","8.463","0.002","90","","90","","120","","537.7","0.1","297","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Hu, Zhang-Gui; Higashiyama, T.; Yoshimura, M.; Mori, Y.; Sasaki, T.","Redetermination of the crystal structure of dipotassium dialuminum borate, K~2~Al~2~B~2~O~7~, a new non-linear optical material","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","433","434","10.1515/ncrs-1999-0415","","","","","","","0.018","","","0.06","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8103923","12.5815","","12.5815","","12.4508","","90","","90","","120","","1706.84","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","K5.49 Na8 (Be14 P14 O56) (H2 O)28.5","","- Be7 H28.5 K2.74 Na4 O42.25 P7 -","- Be7 K2.745 Na4 O42.25 P7 -","- Be14 K5.49 Na8 O84.5 P14 -","2","0.333333","","Harvey, G.; Baerlocher, C.; Wroblewski, T.","Structure solution and Rietveld refinement of beryllophosphate-H zeolite","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","113","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","291193","2024-04-15","11:27:49",""
"8104220","7.633","","7.633","","9.345","","90","","90","","120","","471.52","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Cs3 (Sb2 Cl9)","","- Cl9 Cs3 Sb2 -","- Cl9 Cs3 Sb2 -","- Cl9 Cs3 Sb2 -","1","0.166667","","Kihara, K.; Sudo, T.","The structure of alpha-type cesium antimony nonachloride, Cs3 Sb2 Cl9","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1971","134","","142","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","165723","2020-10-21","18:00:00",""
"9000006","9.82","","9.82","","6.36","","90","","90","","120","","531.142","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","Potassium dithionate","","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","Huggins, M. L.; Frank, G. O.","The crystal structure of potassium dithionate, K2S2O6 Note: coordinates revised according to Am Min 18 (1933) 455-457","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000007","10","","10","","6.3","","90","","90","","120","","545.596","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","Rubidium dithionate","","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Huggins, M. L.; Frank, G. O.","The crystal structure of potassium dithionate, K2S2O6","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9001705","7.903","","7.903","","4.595","","90","","90","","120","","248.542","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","1","0.166667","","Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.","Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on a diffractometer Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.","American Mineralogist","1995","80","","1269","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001706","7.903","","7.903","","4.595","","90","","90","","120","","248.542","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","1","0.166667","","Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.","Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on an image plate Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.","American Mineralogist","1995","80","","1269","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002373","7.943","","7.943","","4.93","","90","","90","","120","","269.368","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al2.001 Ca3 O14 Si2.498 Ti1.501 -","- Al2.001 Ca3 O14 Si2.498 Ti1.501 -","- Al2.001 Ca3 O14 Si2.498 Ti1.501 -","1","0.166667","","Scheuermann, P.; Kutoglu, A.; Schosnig, M.; Hoffer, E.","Structure and stability of the high-pressure phase, Ca3TiSi2(Al,Ti,Si)3O14","American Mineralogist","2000","85","","784","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004474","8.46","","8.46","","5.206","","90","","90","","120","","322.683","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","Dugganite","- As2 O14 Pb3 Te Zn3 -","- As2 O14 Pb3 Te Zn3 -","- As2 O14 Pb3 Te Zn3 -","1","0.166667","","Lam, A. E.; Groat, L. A.; Ercit, T. S.","The crystal structure of dugganite, Pb3Zn3TeAs2O14","The Canadian Mineralogist","1998","36","","823","830","","","","","","","","","","","","","","","","","","","","","","has coordinates","288650","2024-01-03","16:41:43",""
"9004560","12.916","","12.916","","26.543","","90","","90","","120","","3834.75","","","","","","","","","","","","","7","P 3 2 1","P 3 2""","150","","","Franzinite","- Al30 H12 K15.32 Na15.4 O196 S10 Si30 -","- Al30 H12 K15.32 Na15.4 O196 S9.99994 Si30 -","- Al30 H12 K15.32 Na15.4 O196 S9.99994 Si30 -","1","0.166667","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","The crystal structure of franzinite, the ten-layer mineral of the cancrinite group","The Canadian Mineralogist","2000","38","","657","668","10.2113/gscanmin.38.3.657","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9007715","7.8759","","7.8758","","3.9545","","90","","90","","120","","212.431","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","Antarcticite","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007716","7.9596","","7.9596","","4.1243","","90","","90","","120","","226.289","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009294","8.692","","8.692","","6.148","","90","","90","","120","","402.257","","","","","","","","","","","","Cave-in-Rock District, Illinois, USA","4","P 3 2 1","P 3 2""","150","","","Paralstonite","- C2 Ba Ca O6 -","- C2 Ba Ca O6 -","- C6 Ba3 Ca3 O18 -","3","0.5","","Effenberger, H.","Die kristallstruktur des minerals paralstonite, BaCa(CO3)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1980","1980","","353","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009936","4.43","","4.43","","5.34","","90","","90","","120","","90.757","","","","","","","","","","","","Synthetic","4","P 3 2 1","P 3 2""","150","","","Berborite","- B Be2 H5 O5 -","- B Be2 H3 O5 -","- B Be2 H3 O5 -","1","0.166667","","Schlatti, M.","Synthese und strukturtyp des berylliumborates Be2BO3(OH)*H2O","Naturwissenschaften","1967","54","","587","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010620","14.9746","","14.9746","","11.9982","","90","","90","","120","","2330.01","","","","","","","","","","","","St. Joachimsthal, Bohemia, Czech Republic","4","P 3 2 1","P 3 2""","150","","","Arsenpolybasite","- Ag29.046 As4 Cu2.954 S22 -","- Ag29.046 As4 Cu2.954 S22 -","- Ag58.092 As8 Cu5.908 S44 -","2","0.333333","","Bindi, L.; Evain, M.; Menchetti, S.","Complex twinning, polytypism and disorder phenomena in the crystal structures of antimonpearceite and arsenpolybasite Locality: St. Joachimsthal, Bohemia, Czech Republic Sample: 221","The Canadian Mineralogist","2007","45","","321","333","10.2113/gscanmin.45.2.321","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011058","8.859","","8.859","","5.038","","90","","90","","120","","342.419","","","","","","","","","","","","Synthetic","3","P 3 2 1","P 3 2""","150","","","Malladrite","- F6 Na2 Si -","- F6 Na2 Si -","- F18 Na6 Si3 -","3","0.5","","Zalkin, A.; Forrester, J. D.; Templeton, D. H.","The crystal structure of sodium fluorosilicate","Acta Crystallographica","1964","17","","1408","1412","10.1107/S0365110X64003516","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011313","15.0954","","15.0954","","11.8825","","90","","90","","120","","2344.92","","","","120","","","","","","","","Hidalgo, Mexico","4","P 3 2 1","P 3 2""","150","","","Polybasite","- Ag29.04 Cu2.96 S22 Sb4 -","- Ag29.04 Cu2.96 S22 Sb4 -","- Ag58.08 Cu5.92 S44 Sb8 -","2","0.333333","","Evain, M.; Bindi, L.; Menchetti, S.","Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221","Acta Crystallographica, Section B","2006","62","3","447","456","10.1107/S010876810600975X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011403","5.852","","5.852","","3.453","","90","","90","","120","","102.408","","","","","","","","","","","","Synthetic","2","P 3 2 1","P 3 2""","150","","","Barringerite","- Fe2 P -","- Fe2 P -","- Fe6 P3 -","3","0.5","","Hendricks, S. B.; Kosting, P. R.","The crystal structure of Fe2P, Fe2N, Fe3N and FeB","Zeitschrift fur Kristallographie","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012795","8.176","","8.176","","5.108","","90","","90","","120","","295.708","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5 La3 O14 Si -","- Ga5 La3 O14 Si -","- Ga5 La3 O14 Si -","1","0.166667","","Belokoneva, E. L.; Stefanovich, S. Y.; Pisarevskii, Y. V.; Mosunov, A. V.","Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities in the structure and properties of compounds of the langasite family","Russian Journal of Inorganic Chemistry","2000","45","","1642","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012796","8.417","","8.417","","5.014","","90","","90","","120","","307.631","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga1.999 Ge4.001 O14 Pb3 -","- Ga1.999 Ge4.001 O14 Pb3 -","- Ga1.999 Ge4.001 O14 Pb3 -","1","0.166667","","Belokoneva, E. L.; Stefanovich, S. Y.; Pisarevskii, Y. V.; Mosunov, A. V.","Refined structures of La3Ga5SiO14 and Pb3Ga2Ge4O14 and the crystal-chemical regularities in the structure and properties of compounds of the langasite family","Russian Journal of Inorganic Chemistry","2000","45","","1642","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013662","8.4803","","8.4803","","5.2334","","90","","90","","120","","325.939","","","","","","","","","","","","the Black Pine mine, Montana, USA","6","P 3 2 1","P 3 2""","150","","","Joelbruggerite","- As2 O14 Pb3 Sb0.57 Te0.43 Zn3 -","- As2 O14 Pb3 Sb0.57 Te0.43 Zn3 -","- As2 O14 Pb3 Sb0.57 Te0.43 Zn3 -","1","0.166667","","Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Groat, L. A.; Poirier, G.","Joelbruggerite, Pb3Zn3(Sb,Te)As2O13(OH,O), the Sb5+ analog of dugganite, from the Black Pine mine, Montana","American Mineralogist","2009","94","","1012","1017","10.2138/am.2009.3141","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014685","6.988","","6.988","","16.707","","90","","90","","120","","706.537","","","","","","","","","","","","Silver Coin mine, Nevada, USA","5","P 3 2 1","P 3 2""","150","","","Iangreyite","- Al7 Ca2 H33 O39 P4 -","- Al7 Ca2 H33 O39 P4 -","- Al7 Ca2 H33 O39 P4 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Sejkora, J.; Adams, P. M.; Birch, W. D.; Plasil, J.","Iangreyite: a new secondary phosphate mineral closely related to perhamite","Mineralogical Magazine","2011","75","","327","336","10.1180/minmag.2011.075.2.327","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016063","8.3942","","8.3942","","5.1847","","90","","90","","120","","316.383","","","","","","","","","","","","Blue Bell claims, Baker, San Bernardino County, California, USA","6","P 3 2 1","P 3 2""","150","","","Kuksite","- As0.66 O14 P1.34 Pb3 Te Zn3 -","- As0.66 O14 P1.34 Pb3 Te Zn3 -","- As0.66 O14 P1.34 Pb3 Te Zn3 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M.","The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2","American Mineralogist","2010","95","","933","938","10.2138/am.2010.3483","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016211","8.392","","8.392","","5.204","","90","","90","","120","","317.394","","","","","","","","","","","","Black Pine mine, NW of Philipsburg, Granite County, Montana, USA","6","P 3 2 1","P 3 2""","150","","","Kuksite","- As0.404 O14 P1.594 Pb3 Te Zn3 -","- As0.404 O14 P1.594 Pb3 Te Zn3 -","- As0.404 O14 P1.594 Pb3 Te Zn3 -","1","0.166667","","Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M.","The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2","American Mineralogist","2010","95","","933","938","10.2138/am.2010.3483","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""