# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-13T07:56:34+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m c n' 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
"1000033","5.3126","0.0005","8.8958","0.0005","6.4284","0.0005","90","","90","","90","","303.8","","","","","","","","","","","","from Anglesarke, Lancashire, England","3","P m c n","-P 2n 2a","62","","Barium carbonate","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","de Villiers, J. P. R.","Crystal structures of aragonite, strontianite, and witherite","American Mineralogist","1971","56","","758","767","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","208879","2020-10-21","18:00:00",""
"1000180","9.017","0.004","5.013","0.002","9.841","0.004","90","","90","","90","","444.8","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Trilithium iron(III) antimonate","","- Fe Li3 O8 Sb2 -","- Fe Li3 O8 Sb2 -","- Fe3 Li9 O24 Sb6 -","3","0.375","","Lacorre, P; Hervieu, M; Raveau, B","Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~","Materials Research Bulletin","1984","19","","693","699","10.1016/0025-5408(84)90024-2","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000197","3.031","0.001","5.045","0.002","9.798","0.006","90","","90","","90","","149.8","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Lithium iron(III) antimony(V) tin(IV) oxide (4.66/4/2/1.22/16) - High form","","- Fe2 Li2.33 O8 Sb Sn0.66 -","- Fe2 Li2.3332 O8 Sb Sn0.6668 -","- Fe2 Li2.3332 O8 Sb Sn0.6668 -","1","0.125","","Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B","Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~","Journal of Solid State Chemistry","1984","51","","44","52","10.1016/0022-4596(84)90313-X","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000432","3.066","0.001","5.066","0.001","9.874","0.002","90","","90","","90","","153.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","(Ramsdellite group)","Lithium iron(III) tin(IV) oxide","","- Fe Li O4 Sn -","- Fe Li O4 Sn -","- Fe2 Li2 O8 Sn2 -","2","0.25","","Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B","Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0","Journal of Solid State Chemistry","1983","50","","196","203","10.1016/0022-4596(83)90188-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000433","3.074","0.001","5.116","0.005","9.881","0.003","90","","90","","90","","155.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","(Ramsdellite group)","Lithium iron tin oxide (1.417/.75/1.083/4)","","- Fe0.75 Li1.417 O4 Sn1.083 -","- Fe0.75 Li1.416 O4 Sn1.084 -","- Fe1.5 Li2.832 O8 Sn2.168 -","2","0.25","","Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B","Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0","Journal of Solid State Chemistry","1983","50","","196","203","10.1016/0022-4596(83)90188-3","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001219","3.066","0.001","5.066","0.001","9.874","0.002","90","","90","","90","","153.4","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Lithium iron(III) tin(IV) oxide - high-temperature phase","","- Fe Li O4 Sn -","- Fe Li O4 Sn -","- Fe2 Li2 O8 Sn2 -","2","0.25","","Choisnet, J; Hervieu, M; Raveau, B; Tarte, P","Two Polymorphous Lithium Stannoferrites Li Fe Sn O~4~: A Ramsdellite- Type and a Hexagonal Close-Packed Structure","Journal of Solid State Chemistry","1981","40","","344","351","10.1016/0022-4596(81)90401-1","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001390","7.253","0.005","12.646","0.009","9.221","0.007","90","","90","","90","","845.8","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Rubidium tetrachlorozincate","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Hedoux, A; Grebille, D; Jaud, J; Godefroy, G","Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~","Acta Crystallographica B (39,1983-)","1989","45","","370","378","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001661","7.944","0.0004","5.6866","0.0003","11.4059","0.0004","90","","90","","90","","515.3","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001662","7.9041","0.0003","5.7035","0.0002","11.4442","0.0004","90","","90","","90","","515.9","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007015","7.508","0.001","12.684","0.002","9.53","0.002","90","","90","","90","","907.6","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Cadmium caesium cyclo-triphosphate","","- Cd Cs O9 P3 -","- Cd Cs O9 P3 -","- Cd4 Cs4 O36 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure cristalline du trimetaphosphate de cadmium caesium Cd Cs P~3~ O~9~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3114","3116","10.1107/S056774087701036X","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009019","7.01","","12.142","","4.526","","90","","90","","90","","385.2","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","Chromium carbide (7/3)","","- C3 Cr7 -","- C3 Cr7 -","- C12 Cr28 -","4","0.5","","Rouault, M A; Herpin, P; Fruchart, M R","Etude cristallographique des carbures Cr7 C3 et Mn7 C3","Annales de Chimie (Paris) (Vol=Year)","1970","5","","461","470","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010243","6.64","0.03","9.66","0.05","10.82","0.05","90","","90","","90","","694","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ammonium trio-triiodide","","- H4 I3 N -","- H4 I3 N -","- H16 I12 N4 -","4","0.5","","Mooney, R C L","The Configuration of the Triiodide Group in Ammonium Triiodide Crystals.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010255","5.8","0.1","10.2","0.1","7.5","0.1","90","","90","","90","","443.7","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Diammonium beryllium fluoride","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be4 F16 H32 N8 -","4","0.5","","Hultgren, R.","The Crystal Structure of Ammonium Beryllium Fluoride, (N H~4~)~2~ Be F~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","88","","233","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","287670","2023-11-17","14:28:49",""
"1010441","6.13","","8.5","","9.94","","90","","90","","90","","517.9","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ammonium bromochloroiodate(I)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Mooney, R. C. L.","The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group","Zeitschrift für Kristallographie - Crystalline Materials","1938","98","1-6","324","333","10.1524/zkri.1938.98.1.324","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010443","6.226","","11.135","","8.363","","90","","90","","90","","579.8","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Caesium chromate","","- Cr Cs2 O4 -","- Cr Cs2 O4 -","- Cr4 Cs8 O16 -","4","0.5","","Miller, J. J.","The Crystal Structure of Caesium Chromate Cs~2~CrO~4~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","32","37","10.1524/zkri.1938.99.1.32","","","","","","","","","","","","","","","","","","","","","has coordinates","175087","2020-10-21","18:00:00",""
"1010632","6.14","","8.58","","10.03","","90","","90","","90","","528.4","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ammonium chlorobromoiodate(I)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Mooney, R C L","The crystal structure of Ammonium chlorobromoiodide","Bulletin of the American Physical Society (-30,1955)","1935","10","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011186","5.92","","10.4","","7.61","","90","","90","","90","","468.5","","","","","","","","","","","","synthetic","3","P m c n","-P 2n 2a","62","","Potassium chromate","Tarapacaite","- Cr K2 O4 -","- Cr K2 O4 -","- Cr4 K8 O16 -","4","0.5","","Zachariasen, W H; Ziegler, G E","The crystal structure of potassium chromate K2 Cr O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","80","","164","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011253","3.98","0.02","4.33","0.02","11.18","0.02","90","","90","","90","","192.7","","","","","","","","","","","","synthetic, precipitated from solution","2","P m c n","-P 2n 2a","62","","Tin sulfide","Herzenbergite","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Hofmann, W","Ergebnisse der Strukturbestimmung komplexer Sulfide. I: SnS und PbSnS2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","92","","161","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1508942","6.8305","0.0002","11.0589","0.0005","19.8828","0.0009","90","","90","","90","","1501.9","0.11","120","","120","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0599","0.0416","","0.0514","0.0495","0.0495","","","","","","1.0809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511204","5.13","","8.3","","5.88","","90","","90","","90","","250.365","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","La (B O3)","","- B La O3 -","- B La O3 -","- B4 La4 O12 -","4","0.5","","Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G.","Crystal structure of lanthanum orthoborate","Azerbaidzhanskii Khimicheskii Zhurnal","1976","1976","","117","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521253","8.0946","","5.6758","","11.5674","","90","","90","","90","","531.445","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","(Ca0.612 Sr0.388) Zr O3","","- Ca0.612 O3 Sr0.388 Zr -","- Ca0.6118 O3 Sr0.3882 Zr -","- Ca4.8944 O24 Sr3.1056 Zr8 -","8","1","","Joseph, J.; Sivasubramaniam, V.; Vimala, T.M.; Murthy, V.R.K.","Structural study on Ca0.6 Sr0.4 Zr O3","Japanese Journal of Applied Physics, Part 1","1999","38","","822","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521805","5.4411","","7.9142","","12.2313","","90","","90","","90","","526.704","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Bi Mg2 (V O6)","","- Bi Mg2 O6 V -","- Bi Mg2 O6 V -","- Bi4 Mg8 O24 V4 -","4","0.5","","Radosavljevic, I.; Sleight, A.W.","Variable temperature X-ray diffraction study of bismuth magnesium vanadate, Bi Mg2 V O6","Journal of Solid State Chemistry","2000","149","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525242","10.8","","7.49","","5.98","","90","","90","","90","","483.734","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Rb2 (Pb O3)","","- O3 Pb Rb2 -","- O3 Pb Rb2 -","- O12 Pb4 Rb8 -","4","0.5","","Seeger, K.; Hoppe, R.","Die Kristallstruktur von Rb2 Pb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","375","","255","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525661","6.57","","5.19","","11.12","","90","","90","","90","","379.173","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Cd2 Ge O4 -","- Cd2 Ge O4 -","- Cd8 Ge4 O16 -","4","0.5","","Belokoneva, E.L.; Ivanov, Yu.A.; Simonov, M.A.; Belov, N.V.","Crystal structure of cadmium orthogermanate Cd2 Ge O4","Kristallografiya","1972","17","","217","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525744","5.91","","10.727","","7.91","","90","","90","","90","","501.467","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Tl2 Cr O4","","- Cr O4 Tl2 -","- Cr O4 Tl2 -","- Cr4 O16 Tl8 -","4","0.5","","Carter, R.L.; Margulis, T.N.","Crystal Structure of Tl2 Cr O4","Journal of Solid State Chemistry","1972","5","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526313","5.2743","","7.8088","","11.8948","","90","","90","","90","","489.899","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Bi Mg2 (P O4) O2","","- Bi Mg2 O6 P -","- Bi Mg2 O6 P -","- Bi4 Mg8 O24 P4 -","4","0.5","","Radosavljevic, I.; Howard, J.A.K.; Sleight, A.W.","Synthesis and structure of two new bismuth cadmium vanadates, Bi CdV O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 PO6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526682","8.76035","","6.2214","","6.20939","","90","","90","","90","","338.422","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ba (Ce O3)","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","","Knight, K.S.","Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton","Solid State Ionics","2000","127","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526684","8.75847","","6.22666","","6.21109","","90","","90","","90","","338.728","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Ba Ce0.9 Y0.1 H0.14 O2.95","","- Ba Ce0.9 H0.14 O2.95 Y0.1 -","- Ba Ce0.9 H0.14 O2.95 Y0.1 -","- Ba4 Ce3.6 H0.56 O11.8 Y0.4 -","4","0.5","","Knight, K.S.","Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton","Solid State Ionics","2000","127","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526753","8.774","","6.239","","6.204","","90","","90","","90","","339.613","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba (Ce0.9 Y0.1) O2.95","","- Ba Ce0.9 O2.95 Y0.1 -","- Ba Ce0.9 O2.951 Y0.1 -","- Ba4 Ce3.6 O11.804 Y0.4 -","4","0.5","","Takeuchi, K.; Richardson, J.W.jr.; Loong, C.-K.; Guan, J.; Dorris, S.E.; Balachandran, U.","The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping","Solid State Ionics","2000","138","","63","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527444","7.22","","12.04","","9.33","","90","","90","","90","","811.046","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Mg N H4 (P O3)3","","- H4 Mg N O9 P3 -","- Mg N O9 P3 -","- Mg4 N4 O36 P12 -","4","0.5","","Grenier, J.C.; Masse, R.","Les structures des trimetaphosphates magnesium-ammonium Mg N H4 P3 O9 et calcium-ammonium Ca N H4 P3 O9","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","428","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528159","5.97","","10.6","","7.76","","90","","90","","90","","491.068","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","(N H4)2 (S O4)","","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","0.5","","Udalova, V.V.; Pinsker, Z.G.","Electron diffraction study of the structure of ammonium sulfate","Kristallografiya","1963","8","","538","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530569","5.237","","8.043","","18.978","","90","","90","","90","","799.376","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na As4 O6 Br","","- As4 Br Na O6 -","- As4 Br Na O6 -","- As16 Br4 Na4 O24 -","4","0.5","","Pertlik, F.","The crystal structure of Na As4 O6 Br","Journal of Solid State Chemistry","1987","70","","225","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530938","4.51","","9.02","","11.28","","90","","90","","90","","458.873","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba Cl2 (H2 O)","","- Ba Cl2 H2 O -","- Ba Cl2 H2 O -","- Ba4 Cl8 H8 O4 -","4","0.5","","Vainshtein, B.K.; Pinsker, Z.G.","The electron diffraction determination of structure of barium chloride monohydrate - Ba Cl2 H2 O","Zhurnal Fizicheskoi Khimii","1949","23","","1058","1069","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1530939","4.59","","9.41","","11.59","","90","","90","","90","","500.594","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba Br2 (H2 O)","","- Ba Br2 H2 O -","- Ba Br2 H2 O -","- Ba4 Br8 H8 O4 -","4","0.5","","Vainshtein, B.K.; Pinsker, Z.G.","The electron diffraction analysis of Ba Br2 H2 O","Zhurnal Fizicheskoi Khimii","1950","24","","432","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1531129","5.0577","","8.5665","","7.3151","","90","","90","","90","","316.94","","","","","","","","","","","","","8","P m c n","-P 2n 2a","62","","(Sr0.794 Ce1.134 Ca0.056 Ba0.02) (C O3)2 ((O H)0.85 F0.15) (H2 O)","","- C2 H2.85 Ba0.02 Ca0.056 Ce1.134 F0.15 O7.85 Sr0.794 -","- C2 Ba0.02 Ca0.056 Ce1.134 F0.15 O7.85 Sr0.794 -","- C4 Ba0.04 Ca0.112 Ce2.268 F0.3 O15.7 Sr1.588 -","2","0.25","","Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Yamnova, N.A.; Kabalov, Yu.K.; Chukanov, N.V.; Schneider, J.","Crystal structures of two ancylite modifications","Kristallografiya","2002","47","","259","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531320","21.427","","11.814","","14.203","","90","","90","","90","","3595.33","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Rb7 (U O2)8 (V O4)2 Cl O8","","- Cl O32 Rb7 U8 V2 -","- Cl O32 Rb7 U8 V2 -","- Cl4 O128 Rb28 U32 V8 -","4","0.5","","Duribreux, I.; Saadi, M.; Obbade, S.; Dion, C.; Abraham, F.","Synthesis and crystal structure of two new uranyl oxychloro-vanadate layered compounds: M7 (U O2)8 (V O4)2 O8 Cl with M = Rb, Cs","Journal of Solid State Chemistry","2003","172","","351","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531358","9.101","","11.496","","5.935","","90","","90","","90","","620.95","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Pb2 Bi O2 (P O4)","","- Bi P Pb2 -","- Bi P Pb2 -","- Bi4 P4 Pb8 -","4","0.5","","Giraud, S.; Conflant, P.; Drache, M.; Mizrahi, A.; Steinfink, H.; Wignacourt, J.P.","A new family of compounds with tetrahedral anions: Pbn Bi On (X O4), X = V, P, As, n = 1,2,4. a comparison with lead oxysulfates Pbn Pb On (S O4)","Solid State Sciences","2001","3","","593","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531629","7.717","","13.367","","9.539","","90","","90","","90","","983.978","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","K2 (Zn Br4)","","- Br4 K2 Zn -","- Br4 K2 Zn -","- Br16 K8 Zn4 -","4","0.5","","Kasano, H.; Mashiyama, H.; Sato, J.","Structural change of the surroundings of K(+) in K2 Zn Br4 crystal on the monoclinic - orthorhombic phase transition","Ferroelectrics","2002","269","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531961","7.5884","","8.6157","","13.946","","90","","90","","90","","911.781","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","K2 (U O2) (W2 O8)","","- K2 O10 U W2 -","- K2 O10 U W2 -","- K8 O40 U4 W8 -","4","0.5","","Obbade, S.; Yagoubi, S.; Dion, C.; Bekaert, E.; Saadi, M.; Abraham, F.","Synthesis and crystal structure of new uranyl tungstates M2 (U O2) (W2 O8) (M = Na, K), M2 (U O2)2 (W O5) O (M = K, Rb) and Na10 (U O2)8 (W5 O20) O8","Journal of Solid State Chemistry","2003","172","","305","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532415","4.8748","","8.559","","21.59","","90","","90","","90","","900.808","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ce Ni3 D2.77","","- Ce D2.77 Ni3 -","- Ce D2.76667 Ni3 -","- Ce12 D33.2 Ni36 -","12","1.5","","Yartys', V.A.; Isnard, O.; Riabov, A.B.; Aksel'rud, L.G.","Unusual effects on hydrogenation: anomalous expansion and volume contraction","Journal of Alloys Compd.","2003","356","","109","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533109","5.4","","16.72","","7.53","","90","","90","","90","","679.869","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","V F5","","- F5 V -","- F5 V -","- F40 V8 -","8","1","","Edwards, A.J.; Jones, G.R.","Fluoride crystal structures. Part VII. Vanadium pentafluoride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1969","1969","","1651","1654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533173","6.0838","","10.965","","7.9385","","90","","90","","90","","529.568","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Tl2 (Se O4)","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O16 Se4 Tl8 -","4","0.5","","Friese, K.; Goeta, A.E.; Leech, M.A.; Perez-Mato, J.M.; Howard, J.A.K.; Madariaga, G.; Breczewski, T.","The low-temperature structure of Tl2 Se O4 at 30 K","Journal of Solid State Chemistry","2004","177","","1127","1136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535713","7.6785","","12.655","","18.278","","90","","90","","90","","1776.1","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Cs (Ga1.048 Sn0.952) Se4","","- Cs Ga1.048 Se4 Sn0.952 -","- Cs0.9865 Ga1.048 Se4 Sn0.952 -","- Cs7.892 Ga8.384 Se32 Sn7.616 -","8","1","","Hwang Seong-Ju; Kanatzidis, M.; Iyer, R.G.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535903","7.276","","12.716","","9.256","","90","","90","","90","","856.38","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Rb2 (Zn Cl4)","","- Cl4 Rb2 Zn -","- Cl4 Rb2 Zn -","- Cl16 Rb8 Zn4 -","4","0.5","","Itoh, K.; Hinasada, A.; Matsunaga, H.; Nakamura, E.","Disordered structure of Rb2 Zn Cl4 in the normal phase","Journal of the Physical Society of Japan","1983","52","","664","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536819","25.966","","9.52","","9.896","","90","","90","","90","","2446.25","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- In5 Mo18 O28 -","- In5 Mo18 O28 -","- In20 Mo72 O112 -","4","0.5","","Fais, E.; Borrmann, H.; Mattausch, H.J.; Simon, A.","Kristallstrukturen zweier Modifikationen von In5 Mo18 O28 und deren Zwillingsbildung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1178","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539673","10.231","","10.431","","12.035","","90","","90","","90","","1284.37","","","","","","","","","","","","","6","P m c n","-P 2n 2a","62","","(C O)5 Mn S (C F) N (S F5)","","- C6 F6 Mn N O5 S2 -","- C6 F6 Mn N O5 S2 -","- C24 F24 Mn4 N4 O20 S8 -","4","0.5","","Damerius, R.; Leopold, D.; Schulze, W.; Seppelt, K.","Strukturen von S F5-substituierten Metallkomplexen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","578","","110","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542181","5.772","","10.225","","7.513","","90","","90","","90","","443.407","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ba2 (Si O4)","","- Ba2 O4 Si -","- Ba2 O4 Si -","- Ba8 O16 Si4 -","4","0.5","","Uchikawa, H.; Tsukiyama, K.","Indexing of the Powder X-ray Diffraction Patterns and Precise Determination of the Crystal Structure of Ba~2~SiO~4~","Journal of the Ceramic Association, Japan","1965","73","837","106","110","10.2109/jcersj1950.73.837_106","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1551962","20.8958","0.0002","12.54925","0.00011","16.04531","0.00016","90","","90","","90","","4207.51","0.07","120","2","120","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1377","0.1376","","","0.3172","0.3173","","","","","","1.185","","","","has coordinates","216726","2020-10-21","18:00:00",""
"2001184","6.7004","0.0005","7.1548","0.0005","14.7572","0.0014","90","","90","","90","","707.46","0.1","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","6-amino-1,3-dimethyluracil","6-amino-1,3-dimethyluracil","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","0.5","AB1089","Ferguson, G.; Gallagher, J. F.; Low, J. N.; Howie, R. A.; Hueso-Urena, F.; Moreno Carretero, M. N.","Intermolecular N‒H^{···^}O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil","Acta Crystallographica Section C","1993","49","12","2162","2164","10.1107/S0108270193006407","","","0.7093","MoKα","","0.057","0.043","","0.074","0.071","","","","","1.95","1.95","","","","","has coordinates","191032","2020-10-21","18:00:00",""
"2001219","9.247","0.002","16.052","0.006","12.683","0.003","90","","90","","90","","1882.6","0.9","300","2","","","","","","","","","","5","P m c n","P 2n -2a","","","","","- C8 H24 Br4 Co N2 -","- C16 Br8 Co N2 -","- C64 Br32 Co4 N8 -","4","0.5","OH1026","Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H.","Structure of tetramethylammonium tetrabromocobaltate at room temperature","Acta Crystallographica Section C","1993","49","11","1939","1941","10.1107/S0108270193004937","","","0.71069","MoKα","","","0.0605","","","0.0465","","","","","1.323","1.323","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002358","17.34698","0.0039","9.3358","0.0024","10.8818","0.0019","90","","90","","90","","1762.3","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Barium diiron tetraoxide","","- Ba Fe2 O4 -","- Ba Fe2 O4 -","- Ba16 Fe32 O64 -","16","2","","Leib, W; Mueller-Buschbaum, Hk","Zur Verbindungsbildung MO: M2 O3; eine neue Form von Ba Fe2 O4 mit aufgefuellter Tridymitstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","538","","71","77","10.1002/zaac.19865380708","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004899","9.358","0.001","13.408","0.001","13.755","0.001","90","","90","","90","","1725.9","0.3","298","3","","","","","","","","","","5","P m c n","-P 2n -21","","","","","- C12 H24 Cu N6 S2 -","- C6.5 H12 Cu0.5 N3.5 S1.5 -","- C26 H48 Cu2 N14 S6 -","4","0.5","KH1068","Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.","(Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)","Acta Crystallographica Section C","1996","52","5","1093","1095","10.1107/S0108270195016519","","","0.71073","MoKα","","","0.041","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2015675","7.862","0.002","8.088","0.002","13.503","0.004","90","","90","","90","","858.6","0.4","93","2","93","2","","","","","","","","4","P m c n","-P 2n 2a","62","","Ammonium scandium tetrafluoride","","- F4 H4 N Sc -","- F4 H4 N Sc -","- F32 H32 N8 Sc8 -","8","1","BC3020","Nicholas F. Stephens; Philip Lightfoot","Ammonium scandium tetrafluoride","Acta Crystallographica Section C","2006","62","12","i103","i105","10.1107/S0108270106044520","","","0.71073","MoKα","","0.0435","0.0281","","","0.0908","0.1022","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2100187","4.96183","0.000013","7.96914","0.00002","5.742852","0.000015","90","","90","","90","","227.081","0.001","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","aragonite","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","LC5015","Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil","On the structure of aragonite","Acta Crystallographica Section B","2005","61","2","129","132","10.1107/S0108768105005240","","","0.49581","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101318","5.7704","0.0003","10.0712","0.0009","7.4776","0.0004","90","","90","","90","","434.56","0.05","296","","296","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.036","","","","","","","","","","","","","","","has coordinates","209648","2020-10-21","18:00:00",""
"2101319","5.7503","0.0004","10.0395","0.0006","7.4513","0.0007","90","","90","","90","","430.16","0.06","200","","200","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.029","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101320","5.7303","0.0006","10.01","0.001","7.4291","0.0006","90","","90","","90","","426.14","0.07","100","","100","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.029","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101321","5.7224","0.0005","10","0.001","7.4226","0.0006","90","","90","","90","","424.73","0.07","50","","50","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.022","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101322","5.7226","0.0004","9.9985","0.0004","7.4218","0.0004","90","","90","","90","","424.66","0.04","15","","15","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.025","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101347","7.944","0.0004","5.6866","0.0003","11.4059","0.0005","90","","90","","90","","515.3","0.1","","","","","","","","","","","","4","P m c n","-P 2n -21","","","","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","DU0393","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~","Acta Crystallographica Section B","1995","51","5","668","673","10.1107/S0108768194014047","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101348","7.9041","0.0003","5.7035","0.0002","11.4442","0.0004","90","","90","","90","","515.9","0.1","","","","","","","","","","","","4","P m c n","-P 2n -21","","","","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","DU0393","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~","Acta Crystallographica Section B","1995","51","5","668","673","10.1107/S0108768194014047","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102091","5.264","0.004","9.148","0.003","8.666","0.004","90","0.04","90","0.05","90","0.04","417.3","0.4","723","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- K Li O4 S -","- K Li O4 S -","- K4 Li4 O16 S4 -","4","0.5","CA0003","Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio","Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K","Acta Crystallographica Section B","2000","56","4","607","617","10.1107/S0108768100003219","","","0.71073","MoKα","","0.0685","0.0554","","0.063","0.0626","","","","3.55","4.06","4.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102092","5.27","0.002","9.193","0.002","8.751","0.002","90","","90","","90","","424","0.2","803","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- K Li O4 S -","- K Li O4 S -","- K4 Li4 O16 S4 -","4","0.5","CA0003","Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio","Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K","Acta Crystallographica Section B","2000","56","4","607","617","10.1107/S0108768100003219","","","0.71073","MoKα","","0.0856","0.0593","","0.0647","0.0639","","","","2.95","3.63","3.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103738","10.587","0.002","10.779","0.003","15.644","0.005","90","","90","","90","","1785.3","0.8","293","","293","","","","","","","","","5","P m c n","-P 2n 2a","62","","N-n-propyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.089","0.089","","0.095","","0.095","","","0.872","","","0.872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103741","9.915","0.002","12.426","0.001","15.418","0.002","90","","90","","90","","1899.6","0.5","293","","293","","","","","","","","","5","P m c n","-P 2n 2a","62","","N-phenyl-[2.2]paracyclophane-4,15-disulfonimide","","- C22 H19 N O4 S2 -","- C22 H19 N O4 S2 -","- C88 H76 N4 O16 S8 -","4","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.049","0.049","","0.054","","0.054","","","0.859","","","0.859","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2106412","10.423","","17.525","","5.074","","90","","90","","90","","926.832","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Li2 Ni2 (Mo O4)3","","- Li2 Mo3 Ni2 O12 -","- Li2 Mo3 Ni2 O12 -","- Li8 Mo12 Ni8 O48 -","4","0.5","","Ozima, M.; Zoltai, T.; Sato, S.","The crystal structure of a lithium-nickel molybdate, Li2 Ni2 Mo3 O12 , and the systematics of the structure type","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2175","2181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106749","4.035","","5.601","","13.276","","90","","90","","90","","300.038","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na S C N","","- C N Na S -","- C N Na S -","- C4 N4 Na4 S4 -","4","0.5","","Bats, J.W.; Coppens, P.; Kvick, A.","The experimental charge distribution in sulfur-containing molecules. Structure determination and electron density study of Na S C N at reduced temperatures","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1534","1542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106992","5.299","","9.199","","8.741","","90","","90","","90","","426.084","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","(N H4) Li (S O4)","","- H4 Li N O4 S -","- Li N O4 S -","- Li4 N4 O16 S4 -","4","0.5","","Itoh, K.; Ishikura, H.; Nakamura, E.","Disordered structure of ferroelectric ammonium lithium sulphate in the high-temperature phase","Acta Crystallographica B (24,1968-38,1982)","1981","37","","664","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107021","6.551","","11.586","","8.499","","90","","90","","90","","645.073","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","Cs2 (Mo O4)","","- Cs2 Mo -","- Cs2 Mo -","- Cs8 Mo4 -","4","0.5","","Kools, F.X.N.M.; Koster, A.S.; Rieck, G.D.","The structures of potassium, rubidium and cesium molybdate and tungstate","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1974","1977","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107022","6.598","","11.647","","8.513","","90","","90","","90","","654.198","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","Cs2 (W O4)","","- Cs2 W -","- Cs2 W -","- Cs8 W4 -","4","0.5","","Kools, F.X.N.M.; Rieck, G.D.; Koster, A.S.","The structures of potassium, rubidium and cesium molybdate and tungstate","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1974","1977","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107143","6.751","","9.963","","10.997","","90","","90","","90","","739.661","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Cs I3 -","- Cs I3 -","- Cs4 I12 -","4","0.5","","Runsink, J.; Swen-Walstra, S.; Migchelsen, T.","Refinement of the crystal structures of (C6 H5)4 As I3 and Cs I3 at 20 C and at -160 C","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1331","1335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107144","6.024","","15.488","","6.214","","90","","90","","90","","579.764","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Cs I O F4","","- Cs F4 I O -","- Cs F4 I O -","- Cs4 F16 I4 O4 -","4","0.5","","Ryan, R.R.; Asprey, L.B.","The crystal structure of Cs I O F4","Acta Crystallographica B (24,1968-38,1982)","1972","28","","979","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2222714","6.762","0.003","7.942","0.003","17.137","0.005","90","","90","","90","","920.3","0.6","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","","2,5-Dimethylanilinium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","0.5","HG2534","Smirani, Wajda; Rzaigui, Mohamed","2,5-Dimethylanilinium nitrate","Acta Crystallographica Section E","2009","65","8","o1917","","10.1107/S1600536809027718","","","0.56085","AgKα","","0.1794","0.0539","","","0.1181","0.1555","","","","","","0.92","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2241152","36.997","0.003","7.118","0.002","11.788","0.003","90","","90","","90","","3104.3","1.2","301","","301","","","","","","","","","7","P m c n","-P 2n 2a","62","","<i>catena</i>-Poly[[[bis(ethylenediamine)platinum(II)]-μ-iodido-[bis(ethylenediamine)platinum(IV)]-μ-iodido] tetrakis(octane-1-sulfonate) dihydrate]","","- C40 H104 I2 N8 O14 Pt2 S4 -","- C40 H104 I2 N8 O14 Pt2 S4 -","- C80 H208 I4 N16 O28 Pt4 S8 -","2","0.25","WM5192","Matsushita, Nobuyuki","Redetermination of the crystal structure of <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodido-[bis(ethylenediamine)platinum(IV)]-μ-iodido] tetrakis(octane-1-sulfonate) dihydrate]","Acta Crystallographica Section E","2015","71","10","1155","1158","10.1107/S2056989015016801","","","0.71069","MoKα","","0.2273","0.0435","","","0.0788","0.1122","","","","","","0.923","","","","has coordinates,has Fobs","158400","2020-10-21","18:00:00",""
"2310347","5.42","","8.94","","7.82","","90","","90","","90","","378.917","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Hg (S O4) (H2 O)","","- H2 Hg O5 S -","- Hg O5 S -","- Hg4 O20 S4 -","4","0.5","","Bonefacic, A.","The crystal structure of mercuric sulphate monohydrate","Acta Crystallographica (1,1948-23,1967)","1961","14","","116","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310401","3.5315","","9.8989","","10.4","","90","","90","","90","","363.563","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Y2 Be O4","","- Be O4 Y2 -","- Be O4 Y2 -","- Be4 O16 Y8 -","4","0.5","","Harris, L.A.; Yakel, H.L.jr.","The crystal structure of Y2 Be O4","Acta Crystallographica (1,1948-23,1967)","1967","22","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310645","7.928","","13.214","","7.708","","90","","90","","90","","807.495","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Na3 P3 O9","","- Na3 O9 P3 -","- Na3 O9 P3 -","- Na12 O36 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310646","8.5","","13.189","","7.558","","90","","90","","90","","847.301","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Na3 P3 O9 (H2 O)","","- H2 Na3 O10 P3 -","- H2 Na3 O10 P3 -","- H8 Na12 O40 P12 -","4","0.5","","Ondik, H.M.","The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1965","18","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2310661","7.38","","33.6","","7.16","","90","","90","","90","","1775.45","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Sr (V O3)2 (H2 O)4","","- H8 O10 Sr V2 -","- O10 Sr V2 -","- O40 Sr4 V8 -","4","0.5","","Sedlacek, P.; Dornberger-Schiff, K.","Das Strukturprinzip des Strontiumvanadat, Sr (V O3)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1965","18","","407","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310684","5.416","","8.964","","7.874","","90","","90","","90","","382.275","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Hg S O4 H2 O","","- H2 Hg O5 S -","- Hg O5 S -","- Hg4 O20 S4 -","4","0.5","","Templeton, L.K.; Zalkin, A.; Templeton, D.H.","Refinement of the Crystal Structure of Mercuric Sulfate Monohydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","933","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310728","6.05","","9.39","","7.65","","90","","90","","90","","434.593","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Pb Zn (V O4) (O H)","","- H O5 Pb V Zn -","- O5 Pb V Zn -","- O20 Pb4 V4 Zn4 -","4","0.5","","Bachmann, H.G.","Die Kristallstruktur des Descloizit","Acta Crystallographica (1,1948-23,1967)","1953","6","","102","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310816","7.07","","12.12","","10.66","","90","","90","","90","","913.438","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Cu (N H3)4 S O4 H2 O","","- Cu H14 N4 O5 S -","- Cu H14 N4 O5 S -","- Cu4 H56 N16 O20 S4 -","4","0.5","","Mazzi, F.","The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N H3)4 S O4 H2 O","Acta Crystallographica (1,1948-23,1967)","1955","8","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310823","6.86","","9.98","","11.09","","90","","90","","90","","759.252","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Cs I3 -","- Cs I3 -","- Cs4 I12 -","4","0.5","","Tasman, H.A.; Boswijk, K.H.","Re-investigation of the crystal structure of Cs I3","Acta Crystallographica (1,1948-23,1967)","1955","8","","59","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311689","3.6961","0.00004","3.96122","0.00005","13.85331","0.00019","90","","90","","90","","202.827","0.004","293","","293","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Mo O3 -","- Mo O3 -","- Mo4 O12 -","4","0.5","BM5082","Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer","A novel polytype - the stacking fault based γ-MoO3 nanobelts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 2","201","208","10.1107/S2052520615024804","powder diffraction","x-ray","0.50566","","","0.0669","0.0624","","0.0649","0.0636","","","","1","","","","","","","has coordinates","246084","2020-10-21","18:00:00",""
"4001361","4.96524","0.00006","7.96358","0.0001","5.7484","0.00005","90","","90","","90","","227.298","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001363","4.96259","0.00005","7.96782","0.00008","5.74186","0.00004","90","","90","","90","","227.039","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4030435","7.276","0.004","22.114","0.007","9.404","0.005","90","","90","","90","","1513.1","1.3","","","117","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- Cs F19 H13 I3 -","- Cs F19 I3 -","- Cs4 F76 I12 -","4","0.5","","Mahjoub, A.R.; Leopold, D.; Seppelt, K.","Iodine pentafluoride-hydrogen fluoride co-crystallisates, directed weak interactions","European Journal of Solid State and Inorganic Chemistry","1992","29","","635","647","","","x-ray","0.71069","MoKα","","","0.096","","","0.078","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118294","6.979","0.003","9.779","0.005","21.672","0.005","90","","90","","90","","1479.1","1","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3.003 Ru S1.001 -","- C20 H76 Cl8 N20 O12.012 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0941","0.0538","","","","0.132","","","","","","0.836","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118297","7.032","0.007","9.795","0.009","21.58","0.02","90","","90","","90","","1486","2","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1401","0.0816","","","","0.2344","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118299","7.073","0.015","9.7","0.02","21.51","0.05","90","","90","","90","","1476","6","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S0.999 -","- C20 H68 Cl8 N20 O11.996 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1892","0.0983","","","","0.3094","","","","","","0.778","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118300","7.077","0.013","9.61","0.02","21.44","0.04","90","","90","","90","","1458","5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.998 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.2414","0.207","","","","0.5851","","","","","","1.764","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118301","6.938","0.0009","9.6437","0.0013","21.505","0.003","90","","90","","90","","1438.9","0.3","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3 Ru S -","- C20 H76 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0288","0.0278","","","","0.0615","","","","","","1.167","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118302","6.8533","0.0018","9.761","0.003","23.472","0.006","90","","90","","90","","1570.2","0.8","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C20 H72 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0513","0.0481","","","","0.1005","","","","","","1.134","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118304","6.885","0.002","9.756","0.003","23.372","0.008","90","","90","","90","","1569.9","0.9","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0567","0.0505","","","","0.1139","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118306","6.977","0.004","9.745","0.005","21.588","0.011","90","","90","","90","","1467.8","1.4","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0841","0.0811","","","","0.1543","","","","","","1.148","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118307","6.992","0.004","9.735","0.005","21.55","0.011","90","","90","","90","","1466.8","1.4","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.965 Ru S0.982 -","- C20 H68 Cl8 N20 O11.86 Ru4 S3.928 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0821","0.067","","","","0.1392","","","","","","1.11","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118308","7","0.003","9.741","0.004","21.53","0.004","90","","90","","90","","1468.1","0.9","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0815","0.0657","","","","0.1387","","","","","","1.073","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118309","7.003","0.003","9.734","0.004","21.493","0.008","90","","90","","90","","1465.1","1","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0681","","","","0.1535","","","","","","1.076","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118310","7.024","0.003","9.74","0.004","21.473","0.01","90","","90","","90","","1469","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0616","","","","0.1633","","","","","","1.112","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118311","7.027","0.003","9.736","0.004","21.428","0.009","90","","90","","90","","1466","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0839","0.0622","","","","0.1623","","","","","","1.118","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118312","7.034","0.003","9.73","0.004","21.396","0.009","90","","90","","90","","1464.4","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.085","0.0643","","","","0.1742","","","","","","1.086","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118313","7.037","0.003","9.724","0.004","21.354","0.01","90","","90","","90","","1461.2","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0831","0.0612","","","","0.1721","","","","","","1.121","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118314","7.059","0.004","9.727","0.005","21.3","0.011","90","","90","","90","","1462.5","1.3","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0854","0.061","","","","0.1821","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118315","7.072","0.004","9.727","0.005","21.256","0.012","90","","90","","90","","1462.2","1.4","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0846","0.0573","","","","0.1563","","","","","","0.986","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118316","7.102","0.005","9.761","0.006","21.306","0.014","90","","90","","90","","1477","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0855","0.0566","","","","0.1542","","","","","","0.966","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118317","7.088","0.005","9.743","0.006","21.231","0.014","90","","90","","90","","1466.2","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0969","0.0623","","","","0.1743","","","","","","0.873","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118318","7.047","0.011","9.768","0.016","21.49","0.03","90","","90","","90","","1479","4","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1512","0.1272","","","","0.4126","","","","","","1.512","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118319","7.06","0.004","9.707","0.006","21.359","0.013","90","","90","","90","","1463.8","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.07","0.0426","","","","0.0979","","","","","","0.766","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118320","7.054","0.005","9.711","0.006","21.428","0.014","90","","90","","90","","1467.8","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0837","0.0526","","","","0.1487","","","","","","0.914","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118321","7.032","0.004","9.695","0.006","21.42","0.013","90","","90","","90","","1460.3","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0702","0.0508","","","","0.124","","","","","","0.942","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118322","7.034","0.005","9.7","0.006","21.467","0.014","90","","90","","90","","1464.7","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0751","0.0532","","","","0.1356","","","","","","0.919","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118323","6.909","0.005","9.769","0.006","23.346","0.016","90","","90","","90","","1575.7","1.8","150","2","150","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0692","0.0513","","","","0.1165","","","","","","0.968","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118324","6.952","0.002","9.772","0.003","23.295","0.007","90","","90","","90","","1582.5","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0662","0.0525","","","","0.1267","","","","","","1.083","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118325","6.915","0.002","9.773","0.003","23.306","0.007","90","","90","","90","","1575","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0667","0.0505","","","","0.1215","","","","","","1.041","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118326","6.9441","0.0019","9.774","0.003","23.314","0.006","90","","90","","90","","1582.4","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.066","0.0508","","","","0.1256","","","","","","1.068","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4124421","7.658","","9.084","","15.426","","90","","90","","90","","1073.11","","","","","","","","","","","","","6","P m c n","-P 2n 2a","62","","(C O)4 Mn B3 H7 Br","","- C4 H7 B3 Br Mn O4 -","- C4 H7 B3 Br Mn O4 -","- C16 H28 B12 Br4 Mn4 O16 -","4","0.5","","Chen, M.W.; Calabrese, J.C.; Gaines, D.F.; Hillenbrand, D.F.","Low-temperature crystal and molecular structure of tetracarbonyl (2-bromoheptahydrotriborato(1-)) manganese (C O)4 Mn B3 H7 Br and a 1H NMR study of the kinetics of its intramolecular hydrogen exchange in solution","Journal of the American Chemical Society","1980","102","","4928","4933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124636","11.549","","5.506","","19.26","","90","","90","","90","","1224.72","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Mn (C O)3 B8 H13","","- C3 H13 B8 Mn O3 -","- C3 H13 B8 Mn O3 -","- C12 H52 B32 Mn4 O12 -","4","0.5","","Calabrese, J.C.; Fischer, M.B.; Gaines, D.F.; Lott, J.W.","A new type of metalloborane. Structural and spectroscopic characterization of tricarbonylmanganese tridecahydrooctaborate, (C O)3 Mn B8 H13","Journal of the American Chemical Society","1974","96","","6318","6323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4307817","4.8845","0.0003","8.507","0.0006","29.6073","0.0017","90","","90","","90","","1230.26","0.14","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Ce2 D4 Ni7 -","- Ce2 D4.11 Ni7 -","- Ce16 D32.88 Ni56 -","8","1","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","neutron","1.49381","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.7706","","","","","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307818","4.8748","","8.559","","21.59","","90","","90","","90","","900.808","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Ce D2.8 Ni3 -","- Ce D2.76667 Ni3 -","- Ce12 D33.2 Ni36 -","12","1.5","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","neutron","1.49381","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4731","","","","","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307819","4.87726","0.00012","8.5291","0.0002","29.6257","0.0007","90","","90","","90","","1232.39","0.05","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Ce2 D4 Ni7 -","- Ce2 Ni7 -","- Ce16 Ni56 -","8","1","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","","","X-ray","","","","","","","","","9.7318","","","","","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307820","4.8703","0.0011","8.5493","0.0019","21.607","0.003","90","","90","","90","","899.7","0.3","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Ce D2.8 Ni3 -","- Ce D2.76667 Ni3 -","- Ce12 D33.2 Ni36 -","12","1.5","","Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich","Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4","Inorganic Chemistry","2007","46","","2914","2920","10.1021/ic062312u","powder diffraction","","","X-ray","","","","","","","","","20.9714","","","","","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4322998","12.174","0.0005","14.774","0.0007","18.492","0.0011","90","","90","","90","","3325.9","0.3","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","Compound 6","","","- C20 H29 Cl3 O16 U -","- C18.5 H12 Cl3 O16 U -","- C74 H48 Cl12 O64 U4 -","4","0.5","","Hany Hassaballa; Jonathan W. Steed; Peter C. Junk; Mark R. J. Elsegood","Formation of Lanthanide and Actinide Oxonium Ion Complexes with Crown Ethers from a Liquid Clathrate Medium","Inorganic Chemistry","1998","37","","4666","4671","10.1021/ic9802597","","","0.7107","MoKα","","0.0482","0.0417","","","0.1061","0.1109","","","","","","1.084","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4345470","34.95","0.03","17.274","0.014","16.676","0.013","90","","90","","90","","10068","14","296","2","296.15","","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C62 H68 Er3 N18 O43 Zn6 -","- C62 H52 Er3 N18 O35 Zn6 -","- C248 H208 Er12 N72 O140 Zn24 -","4","0.5","","Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya","Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.","Inorganic chemistry","2017","56","3","1713","1721","10.1021/acs.inorgchem.6b02851","","","0.71073","MoKα","","0.1277","0.0756","","","0.1868","0.2195","","","","","","1.016","","","","has coordinates,has disorder","192993","2020-10-21","18:00:00",""
"4349739","10.411","0.002","13.112","0.003","10.711","0.002","90","","90","","90","","1462.1","0.5","293","2","293","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C7 Cd N3 O P S3 -","- C7 Cd N3 O P S3 -","- C28 Cd4 N12 O4 P4 S12 -","4","0.5","","Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong","Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]","Inorganic Chemistry Frontiers","2017","4","9","1445","","10.1039/C7QI00300E","","","0.71073","MoKα","","0.0492","0.0436","","","0.1158","0.1192","","","","","","1.165","","","","has coordinates,has disorder","235780","2020-10-21","18:00:00",""
"4508317","6.932","0.005","10.526","0.007","11.729","0.008","90","","90","","90","","855.8","1","293","2","293.15","","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H7 Br2 N S -","- C5 H7 Br2 N S -","- C20 H28 Br8 N4 S4 -","4","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0315","","","","0.0535","","","","","","0.815","","","","has coordinates","176432","2020-10-21","18:00:00",""
"5000085","4.9614","0.0003","7.9671","0.0004","5.7404","0.0004","90","","90","","90","","226.9","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Calcium carbonate","Aragonite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","de Villiers, J. P. R.","Crystal structures of aragonite, strontianite, and witherite","American Mineralogist","1971","56","","758","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","282023","2023-03-23","15:34:25",""
"5000093","5.09","0.002","8.358","0.002","5.997","0.004","90","","90","","90","","255.1","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Strontium carbonate","Strontianite","- C O3 Sr -","- C O3 Sr -","- C4 O12 Sr4 -","4","0.5","","de Villiers, J. P. R.","Crystal structures of aragonite, strontianite, and witherite","American Mineralogist","1971","56","","758","767","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:00:11",""
"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",""
"6000408","5.3763","0.0003","8.1644","0.0003","12.7312","0.0006","90","","90","","90","","558.83","0.05","","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- Al Mo O7 V -","- Al Mo O7 V -","- Al4 Mo4 O28 V4 -","4","0.5","","Knorr, K.; Jakubus, P.; Dabrowska, G.; Kurzawa, M.","Crystal structure determination of AlVMoO~7~ from X-ray powder diffraction data","European Journal of Solid State and Inorganic Chemistry","1998","35","6-7","519","530","10.1016/S0992-4361(98)80028-3","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7009122","8.4093","0.0007","10.5438","0.001","14.0272","0.0013","90","","90","","90","","1243.74","0.19","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C7 H15 Mo N3 S3 -","- C7 H15 Mo N3 S3 -","- C28 H60 Mo4 N12 S12 -","4","0.5","","Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","719","","10.1039/a908777j","","","0.71069","MoKα","","0.0212","0.0182","","0.0497","0.0475","","","","1.126","1.133","1.133","","","","","has coordinates,has disorder","179795","2020-10-21","18:00:00",""
"7039204","11.051","0.002","11.852","0.002","16.403","0.003","90","","90","","90","","2148.4","0.7","173","2","173","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C16 H17 Ag2 F6 N4 O2 P -","- C16 H17 Ag2 F6 N4 O2 P -","- C64 H68 Ag8 F24 N16 O8 P4 -","4","0.5","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0434","0.0325","","","0.0777","0.083","","","","","","1.032","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7116262","7.4714","0.0008","16.0278","0.0018","8.4874","0.0009","90","","90","","90","","1016.37","0.19","100","2","100","2","","","","","","","","5","P m c n","-P 2n 2a","62","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4.008 -","- C24 H64 Cl4 N4 O16.032 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.1154","0.1108","","","0.3618","0.364","","","","","","1.265","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7120274","10.127","0.002","15.938","0.003","6.9785","0.0014","90","","90","","90","","1126.4","0.4","293","2","293","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C4 H12 Br3 Cd O P -","- C4 H11 Br3 Cd O P -","- C16 H44 Br12 Cd4 O4 P4 -","4","0.5","","Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong","[(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature","Chem. Commun.","2017","","","","","10.1039/C7CC01771E","","","0.71073","MoKα","","0.0676","0.0569","","","0.1824","0.1901","","","","","","1.119","","","","has coordinates","197831","2020-10-21","18:00:00",""
"7123699","10.2216","0.0005","13.3718","0.0007","10.6974","0.0005","90","","90","","90","","1462.13","0.13","337.95","0.1","337.95","0.1","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C7 H12 Cd N3 P S3 -","- C7 H12 Cd N3 P S3 -","- C28 H48 Cd4 N12 P4 S12 -","4","0.5","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.092","0.0799","","","0.2557","0.2707","","","","","","1.072","","","","has coordinates","216478","2020-10-21","18:00:00",""
"7123701","10.3487","0.0004","13.2129","0.0004","10.7451","0.0004","90","","90","","90","","1469.25","0.09","333","","333","","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C7 H10 Cd F N3 P S3 -","- C7 H11 Cd F N3 P S3 -","- C28 H44 Cd4 F4 N12 P4 S12 -","4","0.5","","Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3]","Chemical Communications","2019","","","","","10.1039/C9CC03857D","","","0.71073","MoKα","","0.1137","0.1007","","","0.3843","0.4099","","","","","","1.821","","","","has coordinates,has disorder","216478","2020-10-21","18:00:00",""
"7126123","3.985","0.0002","20.546","0.0013","14.8477","0.001","90","","90","","90","","1215.67","0.13","293","","293","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- In3 La3 O3 S6 -","- In3 La3 O3 S6 -","- In12 La12 O12 S24 -","4","0.5","","Kabbour, Houria; Sayede, Adlane; Saitzek, Sébastien; Lefèvre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal","Structure of the water-splitting photocatalyst oxysulfide α-LaOInS<sub>2</sub> and ab initio prediction of new polymorphs.","Chemical communications (Cambridge, England)","2020","56","11","1645","1648","10.1039/c9cc09797j","powder diffraction","x-ray","1.54187","","","0.0213","0.0205","","0.0258","0.0257","","","","1.54","","","","","","","has coordinates","248739","2020-10-21","18:00:00",""
"7131175","23.522","0.002","8.5667","0.0006","19.7659","0.0013","90","","90","","90","","3982.9","0.5","363","2","363","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C16 Bi2 Br9 N P2 -","- C16 Bi2 Br9 N P2 -","- C64 Bi8 Br36 N4 P8 -","4","0.5","","Mu, Jie; Xu, Ke; He, Lei; Xu, Yan; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Increasing the ferroelastic phase transition temperature of hybrid perovskites through a mixed phosphonium and ammonium cation strategy.","Chemical communications (Cambridge, England)","2023","59","9","1209","1212","10.1039/d2cc05823e","","","0.71073","MoKα","","0.2491","0.1098","","","0.216","0.2725","","","","","","1.098","","","","has coordinates","283078","2023-05-05","00:22:21",""
"7201464","28.665","0.003","5.402","0.007","10.882","0.006","90","","90","","90","","1685","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C14 H12 Ag N3 O9 -","- C14 H10 Ag N3 O9 -","- C56 H40 Ag4 N12 O36 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.2363","0.0697","","","0.0714","0.0972","","","","","","0.864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7202073","27.0798","0.0013","5.7437","0.0003","7.452","0.003","90","","90","","90","","1159.1","0.5","293","2","293","2","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","0.5","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.0357","","","","0.0627","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7204405","6.03828","0.00001","9.44267","0.00002","12.07438","0.00003","90","","90","","90","","688.451","0.003","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","Bismuth Lead Vanadate","","","- Bi O6 Pb2 V -","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","","","","Evans, Ivana Radosavljevic; Evans, John S. O.; Howard, Judith A. K.","Variable temperature structural study of bismuth lead vanadate, BiPb2VO6","Journal of Materials Chemistry","2002","12","9","2648","","10.1039/b202648a","","","","","","","","","","","","","","","","","","","","","has coordinates","277889","2022-09-15","15:31:09",""
"7218074","9.9807","0.0009","13.8901","0.0015","16.2367","0.0016","90","","90","","90","","2250.9","0.4","273","","273","","","","","","","","","4","P m c n","-P 2n 2a","62","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F6.0008 P2 -","- C64 H144 F24.0032 P8 -","4","0.5","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.1426","0.0951","","","0.3034","0.3493","","","","","","1.137","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7227033","14.311","0.01","10.228","0.007","8.393","0.006","90","","90","","90","","1228.5","1.5","133","2","133","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H12 Cl N5 S3 -","- C5 H12 Cl N5 S3 -","- C20 H48 Cl4 N20 S12 -","4","0.5","","Liu, Yu-Ling; Wang, Zhongxia; Han, Xiang-Bin; Sun, Yu-Ling; Pryor, Donald E.","Orientational ordering of guests induced structural phase transition coupled with switchable dielectric property in a host-guest crystal: bis(Thiourea) thiazolium chloride","RSC Adv.","2016","","","","","10.1039/C6RA23952H","","","0.71073","MoKα","","0.0622","0.0517","","","0.1183","0.1239","","","","","","1.224","","","","has coordinates","188350","2020-10-21","18:00:00",""
"7236949","9.16","0.011","16.94","0.02","12.125","0.014","90","","90","","90","","1881","4","348","2","348","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.2877","0.2805","","","0.5163","0.5218","","","","","","1.02","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7712526","8.7522","0.0015","17.62","0.002","8.2301","0.0011","90","","90","","90","","1269.2","0.3","377","2","377.15","","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C3 H7 I3 N2 Pb S -","- C3 H7 I3 N2 Pb S -","- C12 H28 I12 N8 Pb4 S4 -","4","0.5","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.0803","0.0558","","","0.1548","0.1844","","","","","","1.012","","","","has coordinates","283330","2023-05-05","02:35:46",""
"7712698","6.999","0.004","16.759","0.01","19.18","0.012","90","","90","","90","","2250","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C24 H27 Cu N3 O4 -","- C24 H27 Cu N3 O4 -","- C96 H108 Cu4 N12 O16 -","4","0.5","","Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit","Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions","Dalton Transactions","2023","","","","","10.1039/D2DT04170G","","","0.71073","MoKα","","0.0954","0.0708","","","0.1923","0.2182","","","","","","1.02","","","","has coordinates","282127","2023-03-29","23:14:04",""
"8103832","5.29","","8.85","","6.49","","90","","90","","90","","303.839","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Ba (C O3)","","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Colby, M.Y.; la Coste, J.B.","The crystal structure of witherite.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104283","5.8081","","9.931","","14.025","","90","","90","","90","","808.965","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Ba2 Ti9.25 Li3 O22","","- Ba2 Li3 O22 Ti9.25 -","- Ba2 Li3 O22 Ti9.2 -","- Ba4 Li6 O44 Ti18.4 -","2","0.25","","Tillmanns, E.; Wendt, I.","Die Kristallstruktur eines Bariumtitanlithiumoxids, Ba2 Ti9.25 Li3 O22","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1976","144","","16","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104332","5.368","","8.189","","19.51","","90","","90","","90","","857.631","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Pb2 (As O2)3 Cl","","- As3 Cl O6 Pb2 -","- As3 Cl O6 Pb2 -","- As12 Cl4 O24 Pb8 -","4","0.5","","Pertlik, F.","The single chain arsenites Pb(AsO2)Cl and Pb(AsO2)3Cl. Preparation and structure investigation","Zeitschrift fuer Kristallographie (149,1979-)","1988","184","","191","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104511","6.301","","10.725","","7.999","","90","","90","","90","","540.558","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Rb2 (Cr O4)","","- Cr O4 Rb2 -","- Cr O4 Rb2 -","- Cr4 O16 Rb8 -","4","0.5","","Smith, H.W.; Colby, M.Y.","The crystal structure of rubidium chromate Rb2 Cr O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1941","103","","90","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000229","4.9616","","7.9705","","5.7394","","90","","90","","90","","226.973","","","","","","","","","","","","Vertaizon-Alvernia, France","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Dal Negro, A.; Ungaretti, L.","Refinement of the crystal structure of aragonite","American Mineralogist","1971","56","","768","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000443","5.03","","8.52","","7.29","","90","","90","","90","","312.417","","","","","","","","","","","","","7","P m c n","-P 2n 2a","62","","","Ancylite-(Ce)","- C H0.81 Ca0.1 Ce0.42 La0.28 O4 Sr0.2 -","- C H Ca0.1 Ce0.42 La0.28 O4 Sr0.2 -","- C4 H4 Ca0.4 Ce1.68 La1.12 O16 Sr0.8 -","4","0.5","","Dal Negro A; Rossi G; Tazzoli V","The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x*(2-x)H2O","American Mineralogist","1975","60","","280","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9001000","11.786","","20.209","","4.692","","90","","90","","90","","1117.56","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Dumortierite","- Al6.81 B O18 Si2.98 -","- Al6.81 B O18 Si2.98 -","- Al27.24 B4 O72 Si11.92 -","4","0.5","","Alexander, V. D.; Griffen, D. T.; Martin, T. J.","Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA","American Mineralogist","1986","71","","786","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001001","11.798","","20.21","","4.71","","90","","90","","90","","1123.04","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Dumortierite","- Al6.84 B O18 Si3 -","- Al6.84 B O18 Si3 -","- Al27.36 B4 O72 Si12 -","4","0.5","","Alexander, V. D.; Griffen, D. T.; Martin, T. J.","Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA O5y and O11x have been editted","American Mineralogist","1986","71","","786","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001002","11.8","","20.222","","4.699","","90","","90","","90","","1121.27","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Dumortierite","- Al6.81 B0.98 O18 Si2.98 -","- Al6.81 B0.98 O18 Si2.98 -","- Al27.24 B3.92 O72 Si11.92 -","4","0.5","","Alexander, V. D.; Griffen, D. T.; Martin, T. J.","Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #10, USNM 96698, from Petaca, New Mexco, USA","American Mineralogist","1986","71","","786","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001003","11.802","","20.222","","4.695","","90","","90","","90","","1120.51","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Dumortierite","- Al6.73 B O18 Si2.95 -","- Al6.73 B O18 Si2.95 -","- Al26.92 B4 O72 Si11.8 -","4","0.5","","Alexander, V. D.; Griffen, D. T.; Martin, T. J.","Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #11, USNM 141800, from Ambositra, Madagascar","American Mineralogist","1986","71","","786","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001105","10.296","","17.207","","4.91","","90","","90","","90","","869.872","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Lyonsite","- Cu1.59 Fe2 O12 V3 -","- Cu1.59 Fe2 O12 V3 -","- Cu6.36 Fe8 O48 V12 -","4","0.5","","Hughes, J. M.; Starkey, S. J.; Malinconico, M. L.; Malinconico, L. L.","Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure","American Mineralogist","1987","72","","1000","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001708","5.853","","8.766","","13.1","","90","","90","","90","","672.127","","","","155","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 155 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001709","5.852","","8.777","","13.113","","90","","90","","90","","673.523","","","","233","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 233 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002391","4.9829","","8.5188","","7.257","","90","","90","","90","","308.048","","","","","","","","","","","","","12","P m c n","-P 2n 2a","62","","","Kozoite-(Nd)","- C Ca0.02 Ce0.005 Dy0.005 Eu0.025 Gd0.04 La0.305 Nd0.425 O4 Pr0.09 Sm0.07 Y0.015 -","- C Ca0.02 Ce0.005 Dy0.005 Eu0.025 Gd0.04 La0.305 Nd0.425 O4 Pr0.09 Sm0.07 Y0.015 -","- C4 Ca0.08 Ce0.02 Dy0.02 Eu0.1 Gd0.16 La1.22 Nd1.7 O16 Pr0.36 Sm0.28 Y0.06 -","4","0.5","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Takeuchi, K.; Nakai, I.; Terada, Y.","Kozoite-(Nd), Nd(CO3)(OH), a new mineral in an alkali olivine basalt from Hizen-cho, Saga Prefecture, Japan","American Mineralogist","2000","85","","1076","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002546","5.86243","","8.76981","","13.1063","","90","","90","","90","","673.826","","","","130","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 130 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002547","5.86092","","8.77586","","13.1132","","90","","90","","90","","674.472","","","","175","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 175 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002548","5.85942","","8.78269","","13.1209","","90","","90","","90","","675.221","","","","225","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 225 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9002549","5.85539","","8.79152","","13.1326","","90","","90","","90","","676.037","","","","268","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 268 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00",""
"9003639","5.8515","","8.7768","","13.1107","","90","","90","","90","","673.332","","","","215","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Sondergeld, P.; Schranz, W.; Troster, A.; Armbruster, T.; Giester, G.; Kityk, A.; Carpenter, M. A.","Ordering and elasticity associated with low-temperature phase transitions in lawsonite Sample at T = 215 K","American Mineralogist","2005","90","","448","456","10.2138/am.2005.1243","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004207","17.916","","4.79","","5.509","","90","","90","","90","","472.769","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","Stibivanite","- O5 Sb2 V -","- O5 Sb2 V -","- O20 Sb8 V4 -","4","0.5","","Merlino, S.; Orlandi, P.; Perchiazzi, N.; Basso, R.; Palenzona, A.","Polytypism in stibivanite","The Canadian Mineralogist","1989","27","","625","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004450","6.959","","9.17","","6.301","","90","","90","","90","","402.092","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P m c n","-P 2n 2a","62","","","Horvathite-(Y)","- C F2 Na O3 Y -","- C F2 Na O3 Y -","- C4 F8 Na4 O12 Y4 -","4","0.5","","Grice, J. D.; Chao, G. Y.","Horvathite-(Y), rare-earth fluorocarbonate, a new mineral species from Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","1997","35","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004661","4.007","","55.998","","11.512","","90","","90","","90","","2583.11","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Paarite","- Bi8 Cu2 Pb2 S15 -","- Bi8 Cu2 Pb2 S15 -","- Bi32 Cu8 Pb8 S60 -","4","0.5","","Makovicky, E.; Topa, D.; Balic-Zunic T","The crystal structure of paarite, the newly discovered 56 A derivative of the bismuthinite-aikinite solid-solution series","The Canadian Mineralogist","2001","39","","1377","1382","10.2113/gscanmin.39.5.1377","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004687","4.0044","","33.575","","11.48","","90","","90","","90","","1543.46","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu Pb S9 -","- Bi5 Cu Pb S9 -","- Bi20 Cu4 Pb4 S36 -","4","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd33","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004688","4.01","","33.589","","11.502","","90","","90","","90","","1549.23","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu1.223 Pb S9 -","- Bi5 Cu1.223 Pb S9 -","- Bi20 Cu4.892 Pb4 S36 -","4","0.5","","Topa, D.; Makovicky, E.; Balic-Zunic T","The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd39","The Canadian Mineralogist","2002","40","","1147","1159","10.2113/gscanmin.40.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004977","4.0044","","33.5754","","11.4795","","90","","90","","90","","1543.41","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu Pb S9 -","- Bi5 Cu Pb S9 -","- Bi20 Cu4 Pb4 S36 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: superspace refinement","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004978","4.0044","","33.5754","","11.4795","","90","","90","","90","","1543.41","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi5 Cu Pb S9 -","- Bi5 Cu Pb S9 -","- Bi20 Cu4 Pb4 S36 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: supercell refinement","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005236","11.91","","20.4","","4.73","","90","","90","","90","","1149.22","","","","","","","","","","","","","9","P m c n","-P 2n 2a","62","","","Magnesiodumortierite","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al20.88 B4 Fe0.04 H11.84 Mg3.96 O72 P0.08 Si11.52 Ti0.76 -","4","0.5","","Ferraris, G.; Ivaldi, G.; Chopin, C.","Magnesiodumortierite, a new mineral from very-high-pressure rocks (Western Alps). Part I: Crystal structure","European Journal of Mineralogy","1995","7","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9006838","5.316","","8.892","","6.428","","90","","90","","90","","303.851","","","","","","","","0","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 0.00 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006839","5.3","","8.868","","6.318","","90","","90","","90","","296.949","","","","","","","","1260000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.26 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006840","5.292","","8.856","","6.246","","90","","90","","90","","292.725","","","","","","","","1980000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.98 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006841","5.282","","8.843","","6.148","","90","","90","","90","","287.165","","","","","","","","2950000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 2.95 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006842","5.274","","8.838","","6.06","","90","","90","","90","","282.466","","","","","","","","3940000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 3.94 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006843","5.269","","8.838","","5.999","","90","","90","","90","","279.358","","","","","","","","4560000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 4.56 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006844","5.26","","8.846","","5.895","","90","","90","","90","","274.294","","","","","","","","5500000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 5.50 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006845","5.255","","8.852","","5.838","","90","","90","","90","","271.568","","","","","","","","6200000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 6.20 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006846","5.251","","8.868","","5.762","","90","","90","","90","","268.313","","","","","","","","7050000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.05 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9008411","5.179","0.001","8.492","0.003","6.141","0.002","90","","90","","90","","270.082","","","","","","","","","","","","Pribram, Czech Republic","3","P m c n","-P 2n 2a","62","","Lead carbonate","Cerussite","- C O3 Pb -","- C O3 Pb -","- C4 O12 Pb4 -","4","0.5","","Chevrier, G.; Giester, G.; Heger, G.; Jarosch, D.; Wildner, M.; Zemann, J.","Neutron single-crystal refinement of cerussite, PbCO~3~, and comparison with other aragonite-type carbonates","Zeitschrift für Kristallographie","1992","199","","67","74","10.1524/zkri.1992.199.1-2.67","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:01:10",""
"9008585","4.723","","4.887","","6.663","","90","","90","","90","","153.791","","","","","","","","","","","","","1","P m c n","-P 2n 2a","62","Neptunium-alpha","","Neptunium-alpha","- Np -","- Np -","- Np8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample is stable at room conditions","Crystal Structures","1963","1","","7","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009414","5.044","","8.541","","7.292","","90","","90","","90","","314.145","","","","","","","","","","","","Ilimaussaq alkaline complex, South Greenland","11","P m c n","-P 2n 2a","62","","","Ancylite-(La)","- C H3 Ca0.05 Ce0.04 F0.075 La0.27 Nd0.205 O3.925 Pr0.07 Sm0.01 Sr0.31 -","- C H1.425 Ca0.05 Ce0.04 F0.075 La0.27 Nd0.205 O3.925 Pr0.07 Sm0.01 Sr0.31 -","- C4 H5.7 Ca0.2 Ce0.16 F0.3 La1.08 Nd0.82 O15.7 Pr0.28 Sm0.04 Sr1.24 -","4","0.5","","Petersen O V; Niedermayr G; Gault R A; Brandstatter F; Micheelsen H I; Giester G","Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","493","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009909","7.604","","5.837","","12.705","","90","","90","","90","","563.906","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Balyakinite","- Cu O3 Te -","- Cu O3 Te -","- Cu8 O24 Te8 -","8","1","","Lindqvist, O.","On the crystal structures of CuTeO3 and CuTe2O5","Acta Chemica Scandinavica","1971","25","","740","740","10.3891/acta.chem.scand.25-0740","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009910","7.604","","5.837","","12.705","","90","","90","","90","","563.906","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Balyakinite","- Cu O3 Te -","- Cu O3 Te -","- Cu8 O24 Te8 -","8","1","","Lindqvist, O.","The crystal structure of CuTeO3","Acta Chemica Scandinavica","1972","26","","1423","1430","10.3891/acta.chem.scand.26-1423","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010016","5.03","","8.52","","7.29","","90","","90","","90","","312.417","","","","","","","","","","","","Mont St. Hilaire, Quebec, Canada","7","P m c n","-P 2n 2a","62","","","Ancylite-(Ce)","- C H2.69 Ca0.11 Ce0.41 La0.28 O4 Sr0.2 -","- C H1.31 Ca0.11 Ce0.41 La0.28 O4 Sr0.2 -","- C4 H5.24 Ca0.44 Ce1.64 La1.12 O16 Sr0.8 -","4","0.5","","dal Negro, A.; Rossi, G.; Tazzoli, V.","The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x(2-x)H2O","American Mineralogist","1975","60","","280","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010570","4.0044","","11.198","","11.4795","","90","","90","","90","","514.755","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi1.662 Cu0.33 Pb0.338 S3 -","- Bi1.662 Cu0.33 Pb0.338 S3 -","- Bi6.648 Cu1.32 Pb1.352 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010571","4.01","","11.1963","","11.502","","90","","90","","90","","516.407","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Gladite","- Bi1.602 Cu0.388 Pb0.398 S3 -","- Bi1.6025 Cu0.388 Pb0.3975 S3 -","- Bi6.41 Cu1.552 Pb1.59 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic Sample: oversubstituted gladite","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010572","4.0074","","11.2031","","11.5133","","90","","90","","90","","516.893","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Salzburgite","- Bi1.595 Cu0.4 Pb0.405 S3 -","- Bi1.595 Cu0.4 Pb0.405 S3 -","- Bi6.38 Cu1.6 Pb1.62 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010573","4.007","","11.1996","","11.5123","","90","","90","","90","","516.635","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Paarite","- Bi1.575 Cu0.415 Pb0.425 S3 -","- Bi1.575 Cu0.415 Pb0.425 S3 -","- Bi6.3 Cu1.66 Pb1.7 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010574","4.0145","","11.2023","","11.5604","","90","","90","","90","","519.89","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Krupkaite","- Bi1.5 Cu0.5 Pb0.5 S3 -","- Bi1.5 Cu0.5 Pb0.5 S3 -","- Bi6 Cu2 Pb2 S12 -","4","0.5","","Petricek, V.; Makovicky, E.","Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic","The Canadian Mineralogist","2006","44","","189","206","10.2113/gscanmin.44.1.189","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010608","11.261","","7.087","","16.8359","","90","","90","","90","","1343.62","","","","","","","","","","","","Shinkolobwe mine, Shaba, Democratic Republic of Congo","5","P m c n","-P 2n 2a","62","","","Wyartite","- C0.7 H6.6 Ca O13.66 U3 -","- C0.7 H3.92 Ca O13.66 U3 -","- C2.8 H15.68 Ca4 O54.64 U12 -","4","0.5","","Hawthorne, F. C.; Finch, R. J.; Ewing, R. C.","The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] (H2O)3","The Canadian Mineralogist","2006","44","","1379","1385","10.2113/gscanmin.44.6.1379","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010928","5.3103","","8.9122","","6.4365","","90","","90","","90","","304.617","","","","298.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 25 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010929","5.314","","8.9146","","6.4642","","90","","90","","90","","306.223","","","","366.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 93 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010930","5.319","","8.9189","","6.5019","","90","","90","","90","","308.448","","","","469.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 196 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010931","5.3226","","8.9212","","6.5374","","90","","90","","90","","310.422","","","","571.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 298 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010932","5.3264","","8.9247","","6.5751","","90","","90","","90","","312.557","","","","674.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 401 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010933","5.3293","","8.9275","","6.6076","","90","","90","","90","","314.372","","","","759.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 486 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010934","5.3322","","8.931","","6.6537","","90","","90","","90","","316.862","","","","879.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 606 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010935","5.3336","","8.9354","","6.6877","","90","","90","","90","","318.721","","","","964.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 691 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010936","5.3337","","8.9361","","6.6949","","90","","90","","90","","319.096","","","","981.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 708 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010937","5.3338","","8.9403","","6.7252","","90","","90","","90","","320.696","","","","1050.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 777 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010938","5.3333","","8.9417","","6.7339","","90","","90","","90","","321.131","","","","1067.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Antao, S. M.; Hassan, I.","BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 794 C","Physics and Chemistry of Minerals","2007","34","","573","580","10.1007/s00269-007-0172-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011457","5.0028","","8.555","","7.2392","","90","","90","","90","","309.83","","","","","","","","","","","","Shinkolobwe, Shaba - Zaire","6","P m c n","-P 2n 2a","62","","","Gysinite-(Nd)","- C H2.67 La0.08 Nd0.59 O4 Pb0.33 -","- C H1.33 La0.08 Nd0.59 O4 Pb0.33 -","- C4 H5.32 La0.32 Nd2.36 O16 Pb1.32 -","4","0.5","","Chabot, B.; Sarp, H.","Structure refinement of gysinite La.16Nd1.18Pb0.66(CO3)2(OH)1.34(H2O).66","Zeitschrift fur Kristallographie","1985","171","","155","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9012058","4.953","","8.477","","7.21","","90","","90","","90","","302.723","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Kozoite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C4 H4 Nd4 O16 -","4","0.5","","Dexpert, H.; Caro, P.","Determination de la structure cristalline de la variete a des hydroxycarbonates de terres rares LnOHCO3(Ln=Nd)","Materials Research Bulletin","1974","9","","1577","1586","10.1016/0025-5408(74)90106-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012652","5.0577","","8.5665","","7.3151","","90","","90","","90","","316.94","","","","","","","","","","","","Tulilukht Bay, Khibiny massif, Kola Peninsula, Russia","11","P m c n","-P 2n 2a","62","","","Ancylite-(Ce)","- C H2.225 Ba0.005 Ca0.025 Ce0.31 F0.075 La0.2 Nd0.045 O3.925 Pr0.015 Sr0.4 -","- C H1.425 Ba0.005 Ca0.025 Ce0.31 F0.075 La0.2 Nd0.045 O3.925 Pr0.015 Sr0.4 -","- C4 H5.7 Ba0.02 Ca0.1 Ce1.24 F0.3 La0.8 Nd0.18 O15.7 Pr0.06 Sr1.6 -","4","0.5","","Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Yamnova, N. A.; Kabalov, Y. K.; Chukanov, N. V.; Schneider, J.","Crystal structures of two ancylite modifications Sample: Specimen 54","Crystallography Reports","2002","47","","223","228","10.1134/1.1466496","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012754","5.4142","","9.1659","","6.4309","","90","","90","","90","","319.14","","","","298.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Niter","- K N O3 -","- K4 N4 O12 -","- K4 N4 O12 -","","","","Nimmo, J. K.; Lucas, B. W.","A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 25 C","Journal of Physics C: Solid State Physics","1973","6","","201","211","10.1088/0022-3719/6/2/001","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012755","5.423","","9.1827","","6.5189","","90","","90","","90","","324.627","","","","373.15","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Niter","- K N O3 -","- K4 N4 O12 -","- K4 N4 O12 -","","","","Nimmo, J. K.; Lucas, B. W.","A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 100 C","Journal of Physics C: Solid State Physics","1973","6","","201","211","10.1088/0022-3719/6/2/001","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12",""
"9013799","4.96062","","7.97006","","5.74181","","90","","90","","90","","227.011","","","","","","","","","","","","Italy","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: SXTL","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013800","4.96062","","7.97006","","5.74181","","90","","90","","90","","227.011","","","","","","","","","","","","Italy","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013801","4.96174","","7.96918","","5.74265","","90","","90","","90","","227.07","","","","","","","","","","","","Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013802","5.107499","","8.41382","","6.026924","","90","","90","","90","","258.998","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Strontianite","- C O3 Sr -","- C4 O12 Sr4 -","- C4 O12 Sr4 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013803","5.18324","","8.4992","","6.14746","","90","","90","","90","","270.816","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Cerussite","- C O3 Pb -","- C4 O12 Pb4 -","- C4 O12 Pb4 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013804","5.31459","","8.90428","","6.43409","","90","","90","","90","","304.478","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C4 Ba4 O12 -","- C4 Ba4 O12 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9013805","5.3164","","8.9056","","6.43383","","90","","90","","90","","304.614","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C4 Ba4 O12 -","- C4 Ba4 O12 -","","","","Antao, S. M.; Hassan, I.","The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: Neutron","The Canadian Mineralogist","2009","47","","1245","1255","10.3749/canmin.47.5.1245","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:01",""
"9014355","4.9653","","8.0088","","5.7847","","90","","90","","90","","230.035","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 235 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014412","4.0341","","27.056","","9.5559","","90","","90","","90","","1042.99","","","","","","","","","","","","El Dragon mine, Potosi, Bolivia","3","P m c n","-P 2n 2a","62","","","Eldragonite","- Bi Cu6 Se6 -","- Bi4 Cu24 Se24 -","- Bi4 Cu24 Se24 -","","","","Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R.","Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure","The Canadian Mineralogist","2012","50","","281","294","10.3749/canmin.50.2.281","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014618","4.9667","","7.9775","","5.768","","90","","90","","90","","228.539","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014833","4.9638","","7.9698","","5.7545","","90","","90","","90","","227.651","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014838","4.9586","","7.9867","","5.7547","","90","","90","","90","","227.903","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 92 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014887","4.9692","","7.9873","","5.7796","","90","","90","","90","","229.395","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014935","4.9713","","8.0311","","5.8141","","90","","90","","90","","232.128","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 359 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014943","4.9614","","7.9954","","5.7668","","90","","90","","90","","228.76","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 154 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015149","4.9703","","8.0272","","5.8087","","90","","90","","90","","231.753","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 337 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015152","4.9672","","8.0157","","5.7938","","90","","90","","90","","230.684","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 275 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015320","4.9615","","7.9629","","5.7428","","90","","90","","90","","226.886","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015425","4.9596","","7.9644","","5.7416","","90","","90","","90","","226.795","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015448","4.9635","","8.0024","","5.776","","90","","90","","90","","229.422","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 197 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015485","4.0307","","22.7011","","54.6145","","90","","90","","90","","4997.3","","","","","","","","","","","","Felbertal, Salzburg Province, Austria","5","P m c n","-P 2n 2a","62","","","Eclarite","- Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 -","- Bi54.416 Cu3.368 Fe1.8 Pb29 S112 -","- Bi54.416 Cu3.368 Fe1.8 Pb29 S112 -","","","","Topa, D.; Makovicky, E.","Eclarite: New data and interpretations","The Canadian Mineralogist","2012","50","","371","386","10.3749/canmin.50.2.371","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015510","4.9605","","7.9925","","5.7629","","90","","90","","90","","228.481","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 135 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015561","4.9721","","8.0344","","5.8183","","90","","90","","90","","232.429","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015593","4.9693","","8.0234","","5.8037","","90","","90","","90","","231.397","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 318 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015600","5.0914","","8.3519","","5.9901","","90","","90","","90","","254.716","","","","","","","","","","","","Dreisteinfurt, Westphalia, Germany","4","P m c n","-P 2n 2a","62","","","Strontianite","- C Ca0.147 O3 Sr0.853 -","- C4 Ca0.588 O12 Sr3.412 -","- C4 Ca0.588 O12 Sr3.412 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015717","4.9541","","7.9494","","5.7186","","90","","90","","90","","225.211","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015851","4.975","","8.0446","","5.8329","","90","","90","","90","","233.444","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015886","4.9723","","7.9983","","5.7931","","90","","90","","90","","230.391","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015893","4.9566","","7.9808","","5.7464","","90","","90","","90","","227.314","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 50 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015942","4.9596","","7.9644","","5.7416","","90","","90","","90","","226.795","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015969","4.9644","","8.0057","","5.7805","","90","","90","","90","","229.737","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 218 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016017","4.9731","","8.0384","","5.8236","","90","","90","","90","","232.803","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016071","4.9778","","8.0528","","5.8462","","90","","90","","90","","234.346","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 477 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016146","4.9576","","7.9835","","5.7503","","90","","90","","90","","227.591","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 70 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016151","4.9683","","8.0196","","5.7989","","90","","90","","90","","231.05","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 297 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016223","4.9624","","7.9989","","5.7714","","90","","90","","90","","229.088","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 175 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016232","4.9767","","8.0486","","5.8396","","90","","90","","90","","233.908","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 458 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016240","4.9664","","8.0126","","5.7898","","90","","90","","90","","230.398","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 258 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016338","4.9579","","7.9595","","5.7328","","90","","90","","90","","226.23","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016526","4.9594","","7.9893","","5.7584","","90","","90","","90","","228.16","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 113 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016592","5.3193","","8.9056","","6.4353","","90","","90","","90","","304.85","","","","","","","","","","","","Hexham, Northumberland, England","4","P m c n","-P 2n 2a","62","","","Witherite","- C Ba0.981 O3 Sr0.019 -","- C4 Ba3.924 O12 Sr0.076 -","- C4 Ba3.924 O12 Sr0.076 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016597","4.9564","","7.9536","","5.7253","","90","","90","","90","","225.698","","","","","","","","","","","","natural, unknown locality","4","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca0.997 O3 Sr0.003 -","- C4 Ca3.988 O12 Sr0.012 -","- C4 Ca3.988 O12 Sr0.012 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 224 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016600","4.9744","","8.0432","","5.83","","90","","90","","90","","233.259","","","","","","","","","","","","Cuenca, Spain","3","P m c n","-P 2n 2a","62","","","Aragonite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Antao, S. M.; Hassan, I.","Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 420 C Note: P = 101 kPa","The Canadian Mineralogist","2010","48","","1225","1236","10.3749/canmin.48.5.1225","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016604","5.182","","8.4953","","6.1436","","90","","90","","90","","270.458","","","","","","","","","","","","Tsumeb, Namibia","4","P m c n","-P 2n 2a","62","","","Cerussite","- C Ca0.001 O3 Pb -","- C4 Ca0.004 O12 Pb3.996 -","- C4 Ca0.004 O12 Pb3.996 -","","","","Ye, Y.; Smyth, J. R.; Boni, P.","Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K","American Mineralogist","2012","97","","707","712","10.2138/am.2012.3923","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017666","5.258","","8.062","","18.654","","90","","90","","90","","790.743","","","","","","","","","","","","Torrecillas mine, Iquique Province, Chile","5","P m c n","-P 2n 2a","62","","","Torrecillasite","- As3.516 Cl Na O6 Sb0.484 -","- As14.064 Cl4 Na4 O24 Sb1.936 -","- As14.064 Cl4 Na4 O24 Sb1.936 -","","","","Kampf, A. R.; Nash, B. P.; Dini, M.; Molina Donoso, A. A.","Torrecillasite, Na(As,Sb)3+4O6Cl, a new mineral from the Torrecillas mine, Iquique Province, Chile: description and crystal structure","Mineralogical Magazine","2014","78","","747","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:19",""
"9017776","11.828","","20.243","","4.7001","","90","","90","","90","","1125.36","","","","","","","","","","","","Saharina, Madagascar","5","P m c n","-P 2n 2a","62","","","Dumortierite","- Al6.75 B H0.75 O18 Si3 -","- Al6.75 B H0.75 O18 Si3 -","- Al27 B4 H3 O72 Si12 -","4","0.5","","Moore, P. B.; Araki, T.","Dumortierite, Si3B[Al6.75[]0.25O17.25(OH)0.75]: a detailed structure analysis","Neues Jahrbuch fur Mineralogie, Abhandlungen","1978","132","","231","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","288342","2023-12-15","12:45:01",""