# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:06:55+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Cryst C') AND volume = 41 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
"1000202","10.711","0.002","6.638","0.001","4.008","0.001","90","","90","","90","","285","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Mercury iron(III) fluoride dihydrate","","- F5 Fe H4 Hg O2 -","- F5 Fe H4 Hg O2 -","- F10 Fe2 H8 Hg2 O4 -","2","0.25","","Fourquet, J L; Courant, E; Chevalier, P; de Pape, R","Structure of Mercury(II) Iron(III) Fluoride Dihydrate, Hg Fe F~5~ (H~2~ O)~2~","Acta Crystallographica C (39,1983-)","1985","41","","165","167","","","","","","","0.0291","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000206","7.559","0.004","7.575","0.004","12.754","0.008","90","","90","","90","","730.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium tetrafluoroferrate(III)","","- F4 Fe H4 N -","- F4 Fe H0.5 N -","- F32 Fe8 H4 N8 -","8","1","","Leblanc, M; Ferey, G; Pape, R","Room-Temperature Structure of Ammonium Tetrafluorate(III), N H~4~ (Fe F~4~)","Acta Crystallographica C (39,1983-)","1985","41","","657","660","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000338","7.262","0.004","20.668","0.008","5.431","0.002","90","","90.76","0.01","90","","815.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disodium tribarium tetrachromium fluoride","","- Ba3 Cr4 F20 Na2 -","- Ba3 Cr4 F20 Na2 -","- Ba6 Cr8 F40 Na4 -","2","0.5","","Abjean, P; Leblanc, M; De, Pape R; Ferey, G","Structure of Na~2~ Ba~3~ Cr~4~ F~20~","Acta Crystallographica C (39,1983-)","1985","41","","1696","1698","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001330","13.477","0.015","10.031","0.008","8.428","0.002","90","","110.966","","90","","1063.9","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Magnesium dimanganese hexabromide dodecahydrate","","- Br6 H24 Mg Mn2 O12 -","- Br6 H24 Mg Mn2 O12 -","- Br12 H48 Mg2 Mn4 O24 -","2","0.25","","Leclaire, A","Structure de l'hexabromure de magnesium et de dimanganese dodecahydrate Mg Mn~2~ Br~6~ (H~2~ O)~12~","Acta Crystallographica C (39,1983-)","1985","41","","169","170","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1001332","12.023","0.005","11.723","0.005","8.435","0.004","90","","128.77","0.02","90","","926.9","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Neptunium(IV) 12-fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2.5 Np3 O -","- F48 H10 Np12 O4 -","4","1","","Cousson, A; Gasperin, M","Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O","Acta Crystallographica C (39,1983-)","1985","41","","804","805","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001334","8.2642","0.0005","8.2642","0.0005","17.559","0.002","90","","90","","120","","1038.6","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Caesium molybdosilicophosphate *","","- Cs Mo3 O25 P5.8 Si2 -","- Cs Mo3 O25 P5.802 Si2 -","- Cs2 Mo6 O50 P11.604 Si4 -","2","0.166667","","Leclaire, A; Monier, J C; Raveau, B","Structure of Cs Mo~3~ P~5.8~ Si~2~ O~25~","Acta Crystallographica C (39,1983-)","1985","41","","1719","1720","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007144","9.606","0.005","6.236","0.005","7.738","0.005","90","","109.07","0.05","90","","438.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rubidium dihydrogenphosphate","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~","Acta Crystallographica C (39,1983-)","1985","41","","665","667","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007145","28.57","0.06","10.277","0.005","6.09","0.003","90","","90","","90","","1788.1","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Pentarubidium heptahydrogentetrakis(phosphate)","","- H7 O16 P4 Rb5 -","- H7 O16 P4 Rb5 -","- H28 O64 P16 Rb20 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of pentarubidium heptahydrogentetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1555","1556","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007146","15.455","0.005","15.455","0.005","15.455","0.005","90","","90","","90","","3691.5","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tetracaesium tristrontium dihydrogentris(tetrametaphosphate)","","- Cs4 H2 O36 P12 Sr3 -","- Cs4 H4 O36 P12 Sr3 -","- Cs16 H16 O144 P48 Sr12 -","4","0.0833333","","Averbuch-Pouchot, M T; Durif, A","Cs~4~ Sr~3~ H~2~ (P~4~ O~12~)~3~, a new derivative of Al~4~ (P~4~ O~12~)~3~","Acta Crystallographica C (39,1983-)","1985","41","","1557","1558","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007147","11.95","0.01","7.66","0.005","9.658","0.006","90","","92.4","0.01","90","","883.3","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium trihydrogenarsenate sulfate","","- As H11 N2 O8 S -","- As H5.5 N2 O8 S -","- As4 H22 N8 O32 S4 -","4","1","","Boubia, M; Averbuch-Pouchot, M T; Durif, A","Ordered As O~4~ and S O~4~ tetrahedra in diammonium trihydrogenarsenate sulfate","Acta Crystallographica C (39,1983-)","1985","41","","1562","1564","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007148","9.061","0.003","9.061","0.003","10.284","0.005","90","","90","","90","","844.3","","","","","","","","","","","","","4","I -4","I -4","82","","Tetrapotassium tetrametaphosphate tetrahydrate","","- H8 K4 O16 P4 -","- H8 K4 O16 P4 -","- H16 K8 O32 P8 -","2","0.25","","Averbuch-Pouchot, M T; Durif, A","Structure of tetrapotassium tetrametaphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1564","1566","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007259","11.813","0.008","7.292","0.003","20.2","0.08","90","","105.19","0.05","90","","1679.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraammonium sodium triphosphate(V) tetrahydrate","","- H24 N4 Na O14 P3 -","- H24 N4 Na O14 P3 -","- H96 N16 Na4 O56 P12 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of tetraammonium monosodium triphosphate tetrahydrate","Acta Crystallographica C (39,1983-)","1985","41","","1553","1555","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007260","20.29799","0.02","8.73","0.003","8.766","0.003","90","","109.98","0.06","90","","1459.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tribarium dibismuth tetrakis(phosphate(V))","","- Ba3 Bi2 O16 P4 -","- Ba3 Bi2 O16 P4 -","- Ba12 Bi8 O64 P16 -","4","0.5","","Masse, R; Durif, A","Structure of tribarium dibismuth tetrakis(phosphate)","Acta Crystallographica C (39,1983-)","1985","41","","1717","1718","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008305","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008306","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008307","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008308","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008309","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008310","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Tin diselenide","","- Se2 Sn -","","","","","","Pałosz, B.; Gierlotka, S.; Lévy, F.","Polytypism of Sn Se~2~ Crystals Grown by Chemical Transport: Structures of Six Large-Period Polytypes of Sn Se~2~","Acta Cryst C","1985","41","","1404","1406","10.1107/s0108270185007958","","","","","","","","","","","","","","","","","","","","","","176229","2020-10-21","18:00:00",""
"1008945","9.82","0.008","9.973","0.006","17.87","0.01","90.14","0.02","90.01","0.01","119.46","0.04","1523.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Thallium phosphate hydrate *","","- H23.5 O36.5 P8 Tl3.5 -","- H21.25 O36.5 P8 Tl3.5 -","- H42.5 O73 P16 Tl7 -","2","1","","Chiadmi, M; Vicat, J; Tran Qui, D; Boudjada, A","Structure de l'orthophosphate acide de thallium a valence mixte, (Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4","Acta Crystallographica C (39,1983-)","1985","41","","811","814","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008946","13.753","0.005","13.818","0.005","11.865","0.005","90","","90.34","0.05","90","","2254.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium potassium bis(catena-phosphate(V))","","- K Li O6 P2 -","- K Li O6 P2 -","- K16 Li16 O96 P32 -","16","2","","El Horr, N; Bagieu, M","Structure de la forme de haute temperature du polyphosphate de lithium et de potassium: Li K (P O3)2","Acta Crystallographica C (39,1983-)","1985","41","","1157","1159","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2018856","12.502","","7.599","","6.0696","","90","","90","","90","","576.628","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Zn Ag P S4","","- Ag P S4 Zn -","- Ag P S4 Zn -","- Ag4 P4 S16 Zn4 -","4","1","","Rouland, J.C.; Rodier, N.; Toffoli, P.; Khodadad, P.","Structure du Tetrathiophosphate(V) de Zinc et d'Argent, Zn Ag P S4","Acta Crystallographica C (39,1983-)","1985","41","","645","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018870","12.221","","9.199","","2.996","","90","","90","","90","","336.813","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Ni5 Ti O4 (B O3)2","","- B2 Ni5 O10 Ti -","- B2 Ni5 O10 Ti -","- B4 Ni10 O20 Ti2 -","2","0.25","","Lager, G.A.; Armbruster, T.","Structure of Pentanickel Titanium Diboron Oxide, Ni5 Ti B2 O10","Acta Crystallographica C (39,1983-)","1985","41","","1400","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018877","12.024","0.006","26.45","0.01","12.543","0.004","90","","94.74","0.03","90","","3975.47","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K6 (U O2 (B16 O24 (O H)8)) (H2 O)12","","- B16 K6 O44 U -","- B16 H28 K6 O44 U -","- B64 H112 K24 O176 U4 -","4","1","","Behm, H.","Hexpotassium(cyclo-Octahydroxotetracosaoxohexadecaborato)diox uranate(VI) Dodecahyrate, K6 (U O2 (B16 O24 (O H)8)) (H2 O)12","Acta Crystallographica C (39,1983-)","1985","41","5","642","645","10.1107/S0108270185004942","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","189249","2020-10-21","18:00:00",""
"2018879","8.6231","","8.6231","","21.05029","","90","","90","","120","","1355.55","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Fe3 (Cl B7 O13)","","- B7 Cl Fe3 O13 -","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","6","0.333333","","Yvon, K.; Mendoza-Alvarez, M.E.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine Boracite","Acta Crystallographica C (39,1983-)","1985","41","","1551","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018882","12.0203","","12.0203","","12.0203","","90","","90","","90","","1736.78","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 I)","","- B7 Cu3 I O13 -","- B7 Cu3 I O13 -","- B56 Cu24 I8 O104 -","8","0.0833333","","Depmeier, W.; Berset, G.; Schmid, H.; Boutellier, R.","Structure of boracite Cu3 B7 O13 I","Acta Crystallographica C (39,1983-)","1985","41","","1694","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020027","14.405","","14.405","","14.405","","90","","90","","90","","2989.09","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Rh13 Sc57 -","- Rh13 Sc57 -","- Rh26 Sc114 -","2","0.0833333","","Cenzual, K.; Chabot, B.; Parthe, E.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020028","14.414","","14.414","","14.414","","90","","90","","90","","2994.7","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Rh13.6 Sc56.8 -","- Rh13.6 Sc56.814 -","- Rh27.2 Sc113.628 -","2","0.0416667","","Cenzual, K.; Parthe, E.; Chabot, B.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020029","13.856","","14.104","","14.57","","90","","90","","90","","2847.34","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Hf54 Os17 -","- Hf54 Os17 -","- Hf108 Os34 -","2","0.125","","Cenzual, K.; Chabot, B.; Parthe, E.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometriclly related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020030","10.788","","10.788","","5.662","","90","","90","","90","","658.949","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","","","- Ir Zr3 -","- Ir Zr3 -","- Ir8 Zr24 -","8","0.5","","Cenzual, K.; Parthe, E.","Zr3 Ir with tetragonal alpha-V3 S structure","Acta Crystallographica C (39,1983-)","1985","41","","820","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"5000027","11.267","0.002","11.892","0.011","12.105","0.004","90","","90","","90","","1621.91","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Glover, S. S. B.; Gould, R. O.; Walkinshaw, M. D.","Structures of strychnine (I), C~21~H~22~N~2~O~2~, and a solvate of brucine (II), C~23~H~26~N~2~O~4~.C~2~H~6O~.2H~2~O","Acta Crystallographica Section C","1985","41","6","990","994","10.1107/S0108270185006308","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000182","8.48","0.002","6.154","0.002","13.515","0.003","90","","90.46","0.01","90","","705.27","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","De, A.; Ghosh, R.; Roychowdhury, S.; Roychowdhury, P.","Structural analysis of picene, C~22~H~14~","Acta Crystallographica Section C","1985","41","6","907","909","10.1107/S0108270185005959","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9007709","13.583","","13.583","","5.895","","90","","90","","120","","941.902","","","","","","","","","","","","","10","P 63/m","-P 6c","176","","","Zalesiite","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H18 La0.04 Nd0.01 O21 Y0.31 -","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12 La0.04 Nd0.01 O21 Y0.31 -","- As6 Ca0.8 Ce0.12 Cu12 Fe0.18 H24 La0.08 Nd0.02 O42 Y0.62 -","2","0.166667","","Aruga, A.; Nakai, I.","Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Locality: Setoda, Hiroshima, Japan","Acta Crystallographica, Section C","1985","41","","161","163","10.1107/S0108270185003158","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007710","5.8931","","5.4904","","4.7528","","90","","90","","90","","153.779","","","","","","","","","","","","synthetic: Merck ""pro analyse"" (batch number 0093820)","2","P b c m","-P 2c 2b","57","","","Massicot","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Hill, R. J.","Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data","Acta Crystallographica, Section C","1985","41","","1281","1284","10.1107/S0108270185007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007711","10.5","","10.5","","13.184","","90","","90","","120","","1258.8","","","","","","","","","","","","synthetic high-temperature form","4","R -3 m :H","-R 3 2""","166","","","Combeite","- Ca1.543 Na2.914 O9 Si3 -","- Ca1.5435 Na2.9145 O9 Si3 -","- Ca9.261 Na17.487 O54 Si18 -","6","0.166667","","Ohsato, H.; Maki, I.; Takeuchi, Y.","Structure of Na2CaSi2O6","Acta Crystallographica, Section C","1985","41","","1575","1577","10.1107/S0108270185008617","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011352","9.8607","","7.1071","","6.0737","","90","","93.758","","90","","424.736","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Bischofite","- Cl2 H12 Mg O6 -","- Cl2 H12 Mg O6 -","- Cl4 H24 Mg2 O12 -","2","0.25","","Agron, P. A.; Busing, W. R.","Magnesium dichloride hexahydrate, MgCl2*6H2O, by neutron diffraction","Acta Crystallographica, Section C","1985","41","","8","10","10.1107/S0108270185002591","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011353","9.786","","7.621","","4.776","","90","","90.61","","90","","356.17","","","","","","","","","","","","Stoko, Brevig, Langesundfjord, Norway","7","P 1 21/a 1","-P 2yab","14","","","Homilite","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B2 Ca2 Fe0.9 H0.14 Mn0.03 O10 Si2 -","- B4 Ca4 Fe1.8 H0.28 Mn0.06 O20 Si4 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","Structure of homilite, Ca2.00(Fe0.90Mn0.03)B2.00Si2.00O9.86(OH)0.14 Note: anisoB's form ICSD","Acta Crystallographica, Section C","1985","41","","13","15","10.1107/S010827018500261X","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011354","7.767","","6.924","","7.85","","92.16","","90.89","","93.48","","421.018","","","","","","","","","","","","Shinkolobwe, Province du Shaba, Zaire","5","P -1","-P 1","2","","","Roubaultite","- C2 H10 Cu2 O20 U3 -","- C2 H10 Cu2 O20 U3 -","- C2 H10 Cu2 O20 U3 -","1","0.5","","Ginderow, D.; Cesbron, F.","Structure de la roubaultite, Cu2(UO2)3(CO3)2O2(OH)2(H2O)4 Note: anisoB's from ICSD","Acta Crystallographica, Section C","1985","41","","654","657","10.1107/S0108270185004991","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011355","9.105","","9.105","","9.105","","90","","90","","90","","754.814","","","","","","","","","","","","Sary-Sang, Afghanistan","7","P -4 3 n","P -4n 2 3","218","","","Lazurite","- Al2.97 Ca0.8 Mg0.36 Na3.12 O15.12 S Si3.03 -","- Al2.97 Ca0.8 Mg0.36 Na3.12 O15.12 S Si3.03 -","- Al5.94 Ca1.6 Mg0.72 Na6.24 O30.24 S2 Si6.06 -","2","0.0833333","","Hassan, I.; Peterson, R. C.; Grundy, H. D.","The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group","Acta Crystallographica, Section C","1985","41","","827","832","10.1107/S0108270185005662","","","","","","","","","","","","","","","","","","","","","has coordinates","294032","2024-08-07","19:11:21",""
"9011356","9.054","","9.054","","9.054","","90","","90","","90","","742.201","","","","","","","","","","","","Baffin Island","6","P -4 3 n","P -4n 2 3","218","","","Lazurite","- Al2.91 Ca0.6 Na3.48 O11.52 S Si3.09 -","- Al2.91 Ca0.6 Na3.48 O11.52 S Si3.09 -","- Al5.82 Ca1.2 Na6.96 O23.04 S2 Si6.18 -","2","0.0833333","","Hassan, I.; Peterson, R. C.; Grundy, H. D.","The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group","Acta Crystallographica, Section C","1985","41","","827","832","10.1107/S0108270185005662","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9013399","6.429","","6.429","","6.611","","90","","90","","90","","273.246","","","","","","","","","","","","Synthetic","2","P 42/m","-P 4c","84","","","Vysotskite","- Pd S -","- Pd S -","- Pd8 S8 -","8","1","","Brese, N. E.; Squattrito, P. J.; Ibers, J. A.","Reinvestigation of the structure of PdS","Acta Crystallographica, Section C","1985","41","","1829","1830","10.1107/S0108270185009623","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014059","7.197","","7.197","","41.224","","90","","90","","120","","1849.2","","","","","","","","","","","","Synthetic","6","R -3 m :H","-R 3 2""","166","","","Nabimusaite","- Ca12 F K O26 S2 Si4 -","- Ca12 F K O26 S2 Si4 -","- Ca36 F3 K3 O78 S6 Si12 -","3","0.0833333","","Fayos, J.; Glasser, F. P.; Howie, R. A.; Lachowski, E.; Perez-Mendez M","Structure of dodecacalcium potassium fluoride dioxide tetrasilicate bis(sulphate), KF.2[Ca6(SO4)(SiO4)20]: a fluorine-containing phase encountered in cement clinker production process","Acta Crystallographica, Section C","1985","41","","814","816","10.1107/S0108270185005625","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015189","17.603","","6.981","","6.701","","90","","101.61","","90","","806.615","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","Aurivilliusite","- Hg2 I O -","- Hg2 I O -","- Hg16 I8 O8 -","8","1","","Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I.","Structure of mercury(I,II) iodide oxide, Hg2OI","Acta Crystallographica, Section C","1985","41","","167","168","10.1107/S0108270185003183","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015621","8.6231","","8.6231","","21.0503","","90","","90","","120","","1355.55","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Congolite","- B7 Cl Fe3 O13 -","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","6","0.333333","","Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine boracite","Acta Crystallographica, Section C","1985","41","","1551","1552","10.1107/S0108270185008514","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016027","15.583","","15.583","","5.895","","90","","90","","120","","1239.7","","","","","","","","","","","","Setoda, Hiroshima, Japan","10","P 63/m","-P 6c","176","","","Zalesiite","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 -","- As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31 -","- As6 Ca0.8 Ce0.12 Cu12 Fe0.18 H25.92 La0.08 Nd0.02 O42 Y0.62 -","2","0.166667","","Aruga, A.; Nakai, I.","Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O","Acta Crystallographica, Section C","1985","41","","161","163","10.1107/S0108270185003158","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""