# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-10T07:09:08+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Structure Communications') 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
"1004034","13.905","","9.952","","7.185","","90","","90","","90","","994.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium pentachloroaquaindate","","- Cl5 H2 In K2 O -","- Cl5 H2 In K2 O -","- Cl20 H8 In4 K8 O4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Barbier, P","Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O)","Crystal Structure Communications","1976","5","","293","296","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1004036","7.007","0.003","6.504","0.004","12.995","0.01","90","","93.32","0.05","90","","591.2","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","LITHIUM TETRACHLOROALUMINATE","","- Al Cl4 Li -","- Al Cl4 Li -","- Al4 Cl16 Li4 -","4","1","","Mairesse, G; Barbier, P; Vignacourt, J P","Lithium tetrachloroaluminate, Li Al Cl~4~","Crystal Structure Communications","1977","6","","15","18","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004060","10.411","0.008","7.055","0.003","9.461","0.005","90","","90","","90","","694.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nitrosyl tetrachloroaluminate","","- Al Cl4 N O -","- Al Cl4 N O -","- Al4 Cl16 N4 O4 -","4","0.5","","Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F","Nitrosyl tetrachloroaluminate N O Al Cl~4~","Crystal Structure Communications","1976","5","","633","637","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007040","12.881","0.005","12.771","0.005","12.424","0.005","90","","91.34","0.05","90","","2043.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Holmium phyllo-14-oxopentaphosphate","","- Ho O14 P5 -","- Ho O14 P5 -","- Ho8 O112 P40 -","8","1","","Bagieu, M; Tordjman, I; Durif, A; Bassi, G","Holmium ultraphosphate, Ho P~5~ O~14~","Crystal Structure Communications","1973","2","","387","390","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007056","12.228","0.005","12.228","0.005","5.451","0.003","90","","90","","120","","705.9","","","","","","","","","","","","","4","P -3","-P 3","147","","CADMIUM CYCLO-TRIPHOSPHATE 14-HYDRATE","","- Cd3 H28 O32 P6 -","- Cd3 H16.667 O25.333 P6 -","- Cd3 H16.667 O25.333 P6 -","1","0.166667","","Averbuch-Pouchot, M T; Durif, A; Tordjman, I","Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~","Crystal Structure Communications","1973","2","","89","90","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509232","2.896","","2.896","","12.219","","90","","90","","120","","88.749","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al O2 -","- Ag Al O2 -","- Ag2 Al2 O4 -","2","0.0833333","","Jansen, M.; Brachtel, G.","2H - Ag Al O2","Crystal Structure Communications","1981","10","","173","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523082","5.063","","10.076","","11.691","","90","","90","","90","","596.414","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Li2 (W O4)","","- O4 W -","- O4 W -","- O32 W8 -","8","1","","Wilhelmi, K.A.; Waltersson, K.; Loefgren, P.","On the structure of a high pressure polymorph of lithium wolframate(VI). Li2 W O4 (III).","Crystal Structure Communications","1977","6","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523083","9.7551","","5.9465","","4.9932","","90","","90.563","","90","","289.635","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li8 O16 W4 -","4","0.5","","Wilhelmi, K.A.; Werner, P.E.; Waltersson, K.","The structure of Li2 W O4 (IV). A high pressure polymorph of lithium wolframate. Structure determination by use of Guinier-Haegg powder diffraction data.","Crystal Structure Communications","1977","6","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523084","11.9541","","11.9541","","8.4175","","90","","90","","90","","1202.86","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li32 O64 W16 -","16","0.5","","Wilhelmi, K.A.; Waltersson, K.; Werner, P.E.","The structure of Li2 W O4 (II). A high pressure polymorph of lithium wolframate. A structure derived by use of an x-ray powder photograph, also containing an additional phase.","Crystal Structure Communications","1977","6","","231","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523828","7.149","","8.906","","6.667","","90","","113.4","","90","","389.57","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Ca Sn (Si O4) O","","- Ca O5 Si Sn -","- Ca O5 Si Sn -","- Ca4 O20 Si4 Sn4 -","4","0.5","","Higgins, J.B.; Ross, F.K.","The crystal structure of malayaite: Ca Sn O Si O4","Crystal Structure Communications","1977","6","","179","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525712","13.7","","10.79","","11.91","","90","","110.8","","90","","1645.83","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U O2 (S O4) (H2 O)3.5","","- H7 O9.5 S U -","- O9.5 S U -","- O76 S8 U8 -","8","1","","Brandenburg, N.P.; Loopstra, B.O.","Uranyl sulphate hydrate, U O2 S O4 (H2 O)3.5","Crystal Structure Communications","1973","2","","243","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525827","14.298","","9.908","","8.43","","90","","90","","90","","1194.23","","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","Zn V3 O8","","- O8 V3 Zn -","- O8 V3 Zn -","- O64 V24 Zn8 -","8","1","","Lloyd, D.J.; Galy, J.","Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8","Crystal Structure Communications","1973","2","","209","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525851","28.01","","6.794","","7.218","","90","","90","","90","","1373.58","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Te2 V2 O9","","- O9 Te2 V2 -","- O9 Te2 V2 -","- O72 Te16 V16 -","8","0.5","","Darriet, J.; Galy, J.","Tellurium(IV) vanadium(V) oxide, Te2 V2 O9","Crystal Structure Communications","1973","2","","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","146914","2020-10-21","18:00:00",""
"1526307","14.96","","6.112","","12.632","","90","","118.45","","90","","1015.53","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Co (H2 O)6) (N O3)2","","- Co H12 N2 O12 -","- Co H12 N2 O12 -","- Co4 H48 N8 O48 -","4","0.5","","Prelesnik, P.V.; Gabela, F.; Ribar, B.; Krstanovic, I.","Hexaquacobalt(II) nitrate, Co (O H2)6 (N O3)2","Crystal Structure Communications","1973","2","","581","583","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527245","4.07","","4.07","","4.07","","90","","90","","90","","67.419","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Br4)0.25","","- Br Cu0.25 H3.5 N -","- Br Cu0.252 H3.5008 N -","- Br Cu0.252 H3.5008 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) bromide, Br4 Cu H14 N4","Crystal Structure Communications","1976","5","","57","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527246","3.901","","3.901","","3.901","","90","","90","","90","","59.365","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4) (Cu (N H3)2) Cl3)0.3333","","- Cl0.9999 Cu0.3333 H3.333 N0.9999 -","- Cl Cu0.333 H3.3336 N -","- Cl Cu0.333 H3.3336 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Ammonium diamminecopper(II) chloride, Cl3 Cu H10 N3","Crystal Structure Communications","1976","5","","63","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527247","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Cl4)0.25","","- Cl Cu0.25 H3.5 N -","- Cl Cu0.249 H3.5 N -","- Cl Cu0.249 H3.5 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4","Crystal Structure Communications","1976","5","","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527383","9.234","","11.77","","6.778","","91.17","","110.72","","69.48","","640.768","","","","","","","","","","","","","4","P -1","-P 1","2","","(Pr (H2 O)4) (N O3)3 (H2 O)2","","- H12 N3 O15 Pr -","- N3 O15 Pr -","- N6 O30 Pr2 -","2","1","","Fuller, C.; Jacobson, R.A.","Tris(nitrato)tetraaquopraseodymium(III) dihydrate, Pr (N O3)3 (H2 O)4 (H2 O)2","Crystal Structure Communications","1976","5","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527677","4.552","","5.525","","6.633","","90","","106.4","","90","","160.031","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Koskenlinna, M.; Valkonen, J.","Lead selenite, Pb Se O3","Crystal Structure Communications","1977","6","","813","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535463","4.12","","4.43","","7.64","","90","","109.5","","90","","131.444","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","S N","","- N S -","- N S -","- N4 S4 -","4","1","","Boudeulle, M.","Beta poly-(sulfur nitride), (S N)x","Crystal Structure Communications","1975","4","","9","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535666","6.805","","9.124","","13.13","","93.83","","94.26","","110.94","","755.458","","","","","","","","","","","","","4","P -1","-P 1","2","","(S2 (Fe (C O)3)3)","","- C9 Fe3 O9 S2 -","- C9 Fe3 O9 S2 -","- C18 Fe6 O18 S4 -","2","1","","Huebener, P.; Weiss, E.","Enneacoarbnyl di-mue3-thion triiron (2Fe-Fe), C9 Fe3 O9 S2","Crystal Structure Communications","1982","11","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","163106","2020-10-21","18:00:00",""
"1536272","10.06","","6.81","","12.45","","90","","97.25","","90","","846.113","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","S2 Co4 (C O)10","","- C10 Co4 O10 S2 -","- C10 Co4 O10 S2 -","- C20 Co8 O20 S4 -","2","0.5","","Wei, C.H.; Dahl, L.F.","Tetracobalt decacarbonyl disulfide, S2 Co4 (C O)10","Crystal Structure Communications","1975","4","","583","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536908","6.6546","","6.5422","","10.8998","","90","","103.842","","90","","460.75","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mn Se O3 (H2 O)2","","- H4 Mn O5 Se -","- Mn O5 Se -","- Mn4 O20 Se4 -","4","1","","Koskenlinna, M.; Niinisto, L.; Valkonen, J.","Manganese selenite dihydrate, Mn Se O3 (H2 O)2","Crystal Structure Communications","1976","5","","663","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541629","9.059","","17.05","","18.269","","90","","120","","90","","2443.71","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Bi6 O4 (O H)4) (N O3)6 (H2 O)4","","- Bi6 H12 N6 O30 -","- Bi6 N6 O30 -","- Bi24 N24 O120 -","4","1","","Lazarini, F.","Tetra-mue3-hydroxo-tetra-mue3-oxo-hexabismuth(III) nitrate tetrahydrate, (Bi6 O4 (O H)4) (N O3)6 * 4 H2 O","Crystal Structure Communications","1979","8","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541678","10.57","","10.77","","9.25","","90","","102.6","","90","","1027.65","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H3 O) In (S O4)2 (H2 O)4","","- H11 In O13 S2 -","- H11 In O13 S2 -","- H44 In4 O52 S8 -","4","1","","Caminiti, R.; Marongiu, G.; Paschina, G.","Oxonium diaquadisulphatoindium(III) dihydrate (H3 O)+ (In(H2 O)2 (S O4)2)- * 2 H2 O","Crystal Structure Communications","1982","11","","955","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541695","12.219","","10.574","","13.986","","90","","103.61","","90","","1756.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cd S O3)2 (H2 O)3","","- Cd2 H6 O9 S2 -","- Cd2 O9 S2 -","- Cd16 O72 S16 -","8","2","","Kiers, C.T.; Vos, A.","Cadmium sulfite hydrate 2 Cd S O3 * 3 H2 O","Crystal Structure Communications","1978","7","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541784","26.433","","7.139","","8.044","","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","dicesium bismuth nitrate hydrate","","- Bi Cs2 H2 N5 O16 -","- Bi Cs2 H2 N5 O16 -","- Bi4 Cs8 H8 N20 O64 -","4","1","","Lazarini, F.; Leban, I.","Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O","Crystal Structure Communications","1982","11","","653","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1541787","8.646","","7.329","","13.884","","90","","129.17","","90","","682.072","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ba2 K (P O3)5","","- Ba2 K O15 P5 -","- Ba2 K O15 P5 -","- Ba4 K2 O30 P10 -","2","1","","Martin, C.; Tordjman, I.; Mitschler, A.","Barium potassium polyphosphate, Ba2 K (P O3)5","Crystal Structure Communications","1972","1","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541791","11.756","","12.901","","13.522","","90","","90","","90","","2050.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce (N O3)3 (H2 O)4","","- Ce H8 N3 O13 -","- Ce N3 O13 -","- Ce8 N24 O104 -","8","1","","Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B.","Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3","Crystal Structure Communications","1982","11","","1241","1244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541802","9.151","","12.097","","6.723","","104.52","","112.39","","104.05","","616.746","","","","","","","","","","","","","4","P -1","-P 1","2","","(Y (N O3)3 (H2 O)4) (H2 O)2","","- H12 N3 O15 Y -","- H12 N3 O15 Y -","- H24 N6 O30 Y2 -","2","1","","Ribar, B.; Milinski, N.; Budovalcev, Z.; Krstanovic, I.","Tetraaquatri(nitrato)yttrium(III) dihydrate, Y (H2 O)4 (N O3)3 * 2 H2 O","Crystal Structure Communications","1980","9","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541827","10.38","","16.98","","5.75","","90","","104.4","","90","","981.612","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ca Na2 (P2 O7) (H2 O)4","","- Ca H8 Na2 O11 P2 -","- Ca H8 Na2 O11 P2 -","- Ca4 H32 Na8 O44 P8 -","4","1","","Cheng, P.T.; Nyburg, S.C.; Adams, M.E.; Pritzker, K.P.H.","beta-Calcium disodium pyrophosphate tetrahydrate, Ca Na2 P2 O7 * 4 H2 O","Crystal Structure Communications","1979","8","","313","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541837","12.822","","12.709","","12.358","","90","","91.25","","90","","2013.32","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tm P5 O14","","- O14 P5 Tm -","- O14 P5 Tm -","- O112 P40 Tm8 -","8","1","","Zhou, K.-J.; Qian, Y.-T.; Hong, G.-Y.","Thulium ultraphosphate, Tm P5 O14","Crystal Structure Communications","1982","11","","1695","1699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541856","11.88","","11.88","","12.68","","90","","90","","120","","1549.82","","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Na3.2 P O4 Cl.2 (H2 O)11","","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.201 H15 Na3.2 O15.001 P -","- Cl0.804 H60 Na12.8 O60.004 P4 -","4","0.333333","","Larbot, A.; Durand, J.; le Cot, L.","Trisodium orthophosphate - sodium chloride - water (5/1/55), Na3 P O4 * 11 H2 O * 1/5 Na Cl","Crystal Structure Communications","1981","10","","55","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541865","8.886","","10.671","","6.612","","78.76","","102.19","","92.08","","601.068","","","","","","","","","","","","","4","P -1","-P 1","2","","(Ce (N O3)3 (H2 O)5) (H2 O)","","- Ce H12 N3 O15 -","- Ce H12 N3 O15 -","- Ce2 H24 N6 O30 -","2","1","","Milinski, N.; Ribar, B.; Sataric, M.","Pentaaquatrinitratocerium(III) monohydrate, Ce (H2 O)5 (N O3)3 * H2 O","Crystal Structure Communications","1980","9","","473","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541870","9.27","","12.39","","6.22","","90","","105.6","","90","","688.083","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tl2 Cu (H2 O)6 (S O4)2","","- Cu H12 O14 S2 Tl2 -","- Cu H12 O14 S2 Tl2 -","- Cu2 H24 O28 S4 Tl4 -","2","0.5","","Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L.","Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron)","Crystal Structure Communications","1972","1","","371","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541871","9.42","","12.785","","6.28","","90","","105.9","","90","","727.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cs2 (Cu (H2 O)6) (S O4)2","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","","Shields, K.G.; Kennard, C.H.L.","Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron)","Crystal Structure Communications","1972","1","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541875","7.51","","9.852","","7.461","","105.23","","118.54","","72.35","","457.519","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba Ti6 O13","","- Ba O13 Ti6 -","- Ba O13 Ti6 -","- Ba2 O26 Ti12 -","2","1","","Tillmanns, E.","Barium hexatitanate, Ba Ti6 O13","Crystal Structure Communications","1972","1","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541876","17.062","","9.862","","14.051","","90","","90","","90","","2364.3","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Ba4 (Ti13 O30)","","- Ba4 O30 Ti13 -","- Ba4 O30 Ti13 -","- Ba16 O120 Ti52 -","4","0.25","","Tillmanns, E.","Tetrabarium tridecatitanate, Ba4 Ti13 O30","Crystal Structure Communications","1982","11","","2087","2092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541971","8.282","","9.237","","8.058","","107.81","","98.63","","71.52","","555.674","","","","","","","","","","","","","4","P -1","-P 1","2","","La Cl3 (H2 O)7","","- Cl3 H14 La O7 -","- Cl3 La O7 -","- Cl6 La2 O14 -","2","1","","Habenschuss, A.; Spedding, F.H.","Di-mue-chloro-bis(heptaaqualanthanum(III)) tetrachloride ((H2 O)7 La Cl2 La (H2 O)7) Cl4","Crystal Structure Communications","1979","8","","511","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541986","11.755","","11.755","","6.712","","90","","90","","120","","803.208","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tb (Br O3)3 (H2 O)9","","- Br3 H18 O18 Tb -","- Br3 H18 O18 Tb -","- Br6 H36 O36 Tb2 -","2","0.0833333","","Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.","The structure of terbium(III) bromate enneahydrate, Tb (H2 O)9 (Br O3)3","Crystal Structure Communications","1982","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542061","6.3346","","6.3346","","14.871","","90","","90","","120","","516.784","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Cs3 (F3 (V O F2)2)","","- Cs3 F7 O2 V2 -","- Cs3 F7.0002 O1.9998 V2 -","- Cs6 F14.0004 O3.9996 V4 -","2","0.0833333","","Waltersson, K.","The crystal structure of Cs3 V2 O2 F7","Crystal Structure Communications","1978","7","","507","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","173995","2020-10-21","18:00:00",""
"1542121","8.232","","9.164","","7.984","","107.45","","98.32","","71.44","","543.887","","","","","","","","","","","","","4","P -1","-P 1","2","","((H2 O)7 Pr Cl2 Pr (H2 O)7) Cl4","","- Cl6 H28 O14 Pr2 -","- Cl6 O14 Pr2 -","- Cl6 O14 Pr2 -","1","0.5","","Habenschuss, A.; Spedding, F.H.","Di-mue-chloro-bis(heptaaquapraseodymium(III)) tetrachloride","Crystal Structure Communications","1978","7","","535","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542152","13.514","","9.132","","9.22","","90","","132.9","","90","","833.516","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Co2 (P O4) Cl","","- Cl Co2 O4 P -","- Cl Co2 O4 P -","- Cl8 Co16 O32 P8 -","8","1","","Nord, A.G.; Stefanidis, T.","The structure of cobalt(II) chlorophosphate, Co2 (P O4) Cl","Crystal Structure Communications","1981","10","","1251","1257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542153","11.809","","8.297","","9.923","","90","","118.72","","90","","852.641","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Co2 (P4 O12)","","- Co2 O12 P4 -","- Co2 O12 P4 -","- Co8 O48 P16 -","4","0.5","","Nord, A.G.","The structure of cobalt(II) tetrametaphosphate, Co2 P4 O12","Crystal Structure Communications","1982","11","","1467","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","174175","2020-10-21","18:00:00",""
"1542185","5.278","","17.346","","5.116","","90","","90","","90","","468.381","","","","","","","","","","","","","5","P b n 21","P 2c -2ab","33","","(N H4) Li (Se O4)","","- H4 Li N O4 Se -","- H4 Li N O4 Se -","- H16 Li4 N4 O16 Se4 -","4","1","","Waskowska, A.; Allmann, R.","Ammonium lithium selenate, N H4 Li Se O4","Crystal Structure Communications","1982","11","","2029","2034","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542250","7.403","","5.65","","11.443","","90","","90","","90","","478.626","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K2 V O F4","","- F4 K2 O V -","- F4 K2 O V -","- F16 K8 O4 V4 -","4","1","","Waltersson, K.; Karlsson, B.","K2 V O F4","Crystal Structure Communications","1978","7","","459","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1557642","22.502","0.009","12.689","0.005","12.952","0.005","90","","90","","90","","3698","3","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","chloroquine","","","- C18 H26 Cl N3 -","- C18 H26 Cl N3 -","- C144 H208 Cl8 N24 -","8","1","","C. Courseille; B. Busetta; M. Hospital","7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE)","Crystal Structure Communications","1973","2","","283","286","","","","","","","","0.093","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558538","14.661","0.003","8.8474","0.001","7.6749","0.0009","90","","90","","90","","995.5","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","","","- C2 H3 N O S7 -","- C2 H3 N O S7 -","- C8 H12 N4 O4 S28 -","4","1","","A. Vegas; M. Martinez-Ripoli; S. Garcia-Blanco","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","Crystal Structure Communications","1978","7","","215","218","","","x-ray","1.5418","CuKα","","","0.096","","","0.116","","","","","","","","","","","has coordinates","254114","2020-10-21","18:00:00",""
"5000030","15.966","0.006","13.609","0.006","7.952","0.004","90","","90","","90","","1727.82","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","testosterone","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Precigoux, G.; Hospital, M.; van den Bosche, G.","","Crystal Structure Communications","1973","2","","435","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000079","6.188","0.001","11.863","0.002","12.058","0.002","90","","91.91","0.01","90","","884.66","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","pregnenolone","","","- C21 H32 O2 -","- C21 H32 O2 -","- C42 H64 O4 -","2","1","","Bordner, J.; Hennesee, G. L. A.; Chandross, R. J.","","Crystal Structure Communications","1978","7","","513","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","187368","2020-10-21","18:00:00",""
"5000106","9.254","0.002","19.127","0.004","9.704","0.002","90","","90","","90","","1717.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O7 -","- C6 H1.5 N3 O7 -","- C48 H12 N24 O56 -","8","2","","Duesler, E. N.; Engelmann, J. H.; Curtin, D. Y.; Paul, I. C.","Picric acid: C~6~H~3~N~3~O~7~","Crystal Structure Communications","1978","7","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","175295","2020-10-21","18:00:00",""
"5000112","7.148","0.003","17.59","0.008","5.202","0.002","90","","90","","90","","654.06","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl N O2 -","- C3 H8 Cl N O2 -","- C12 H32 Cl4 N4 O8 -","4","1","","di Blasio, B.; Pavone, V.; Pedone, C.","","Crystal Structure Communications","1977","6","","745","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000132","38.767","0.008","5.146","0.001","13.023","0.002","90","","103.59","0.04","90","","2525.28","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl N O3 -","- C11 H18 Cl N O3 -","- C88 H144 Cl8 N8 O24 -","8","1","","Tsoucaris, D.; de Rango, C.; Tsoucaris, G.; Zelwer, C.; Parthasarathy, R.; Cole, F. E.","","Crystal Structure Communications","1973","2","","193","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000134","6.252","0.002","12.592","0.003","22.488","0.002","90","","90","","90","","1770.37","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Foresti Serantoni, E.; Krajewski, A.; Mongiorgi, R.; Riva di Sanseverino, L.; R., Cameroni","","Crystal Structure Communications","1975","4","","189","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175389","2020-10-21","18:00:00",""
"5000170","10.744","0.005","10.898","0.006","9.978","0.004","90","","90","","90","","1168.31","","","","","","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C9 H8 Cl3 N O2 S -","- C17 H16 Cl5 N O4 S -","- C68 H64 Cl20 N4 O16 S4 -","4","0.5","","Moss, L. E.; Jacobson, R. A.","","Crystal Structure Communications","1981","20","","1545","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000175","25.74","0.01","9.804","0.001","12.076","0.005","90","","118.21","0.03","90","","2685.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N5 O -","- C10 H19 N5 O -","- C80 H152 N40 O8 -","8","1","","Graham, A. J.; Akrigg, D.; Sheldrick, B.","","Crystal Structure Communications","1977","6","","281","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000206","11.068","0.003","13.385","0.003","13.625","0.004","100.64","0.04","90.91","0.04","97.74","0.04","1963.98","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","4","","van Koningsveld, H.","","Crystal Structure Communications","1982","11","","1423","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175433","2020-10-21","18:00:00",""
"9012780","9.066","","12.13","","6.149","","90","","104.4","","90","","654.965","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Cyanochroite","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Robinson, D. J.; Kennard, C. H. L.","Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)","Crystal Structure Communications","1972","1","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012781","10.75","","7.25","","12.25","","90","","92.3","","90","","953.965","","","","","","","","","","","","","1","P 1 21/n 1","-P 2yn","14","","","Rosickyite","- S18 -","- S18 -","- S36 -","2","0.5","","Debaerdemaeker, T.; Kutoglu, A.","Cyclooctadecasulfur, S18 (beta) Locality: synthetic Note: beta phase","Crystal Structure Communications","1974","3","","611","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012783","5.436","","4.81","","11.76","","90","","90","","90","","307.491","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Gopalakrishnan, P. S.; Manohar, H.","Cervantite, alpha-Sb2O4","Crystal Structure Communications","1975","4","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012784","12.664","","10.091","","11.322","","90","","109.6","","90","","1363.03","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Admontite","- B6 H22 Mg O17 -","- B6 H22 Mg O17 -","- B24 H88 Mg4 O68 -","4","1","","dal Negro, A.; Ungaretti, L.; Basso, R.","The crystal structure of synthetic hydrated borates: (II) MgO*3B2O3*7H2O","Crystal Structure Communications","1976","5","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9012785","7.855","","5.449","","6.089","","91.44","","101.9","","89.2","","254.929","","","","","","","","","","","","Musonoi Mine, Kolwezi, Katanga, Zaire","4","P -1","-P 1","2","","","Vandenbrandeite","- Cu H4 O6 U -","- Cu H4 O6 U -","- Cu2 H8 O12 U2 -","2","1","","Rosenzweig, A.; Ryan, R. R.","Vandenbrandeite CuUO2(OH)4","Crystal Structure Communications","1977","6","","53","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012786","17.382","","7.047","","6.61","","90","","105.9","","90","","778.688","","","","","","","","","","","","Naica, Chihuahua, Mexico","5","C 1 2/m 1","-C 2y","12","","","Sklodowskite","- H10 Mg O18 Si2 U2 -","- H10 Mg O18 Si2 U2 -","- H20 Mg2 O36 Si4 U4 -","2","0.25","","Ryan, R. R.; Rosenzweig, A.","Sklodowskite, MgO*2UO3*2SiO2*7H2O","Crystal Structure Communications","1977","6","","611","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012787","6.704","","6.932","","13.252","","90","","104.22","","90","","596.979","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Kasolite","- H2 O7 Pb Si U -","- H2 O7 Pb Si U -","- H8 O28 Pb4 Si4 U4 -","4","1","","Rosenzweig, A.; Ryan, R. R.","Kasolite, Pb(UO2)(SiO4)*H2O","Crystal Structure Communications","1977","6","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9014478","7.459","","5.034","","15.27","","90","","107.33","","90","","547.339","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- Li Nb3 O8 -","- Li Nb3 O8 -","- Li4 Nb12 O32 -","4","1","","Gatehouse, B. M.; Leverett, P.","Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite","Crystal Structure Communications","1972","1","","83","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""