# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T12:29:03+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 1 21/b' 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
"1007239","8.75","0.004","12.99","0.006","8.944","0.004","90","","90","","90.45","0.01","1016.6","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Samarium pentaphosphate","","- O14 P5 Sm -","- O14 P5 Sm -","- O56 P20 Sm4 -","4","1","","Tranqui, D; Bagieu, M; Durif, A","Structure cristalline de l'ultraphosphate de Samarium Sm P5 O14","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1751","1755","10.1107/S0567740874005747","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008046","5.92","0.02","10.334","0.03","4.75","0.02","90","","90","","91.07","","290.5","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Cobalt phosphate","","- Co3 O8 P2 -","- Co3 O8 P2 -","- Co6 O16 P4 -","2","0.5","","Berthet, G; Joubert, J C; Bertaut, E F","Vacancies ordering in new metastable orthophosphates (Co~3~ ) P~2~ O~8~ and (Mg~3~ ) P~2~ O~8~ with olivin-related structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","136","","98","105","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008830","5.911","0.02","10.214","0.03","4.734","0.02","90","","90","","90.99","","285.8","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Magnesium phosphate","","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","","Berthet, G; Joubert, J C; Bertaut, E F","Vacancies ordering in new metastable orthophosphates (Co3 ) P2 O8 and (Mg3 ) P2 O8 with olivin-related structure","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","136","","98","105","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510841","12.455","","5.643","","11.43","","90","","90","","77.64","","784.721","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ca Mn (B2 O5)","","- B2 Ca Mn O5 -","- B2 Ca Mn O5 -","- B16 Ca8 Mn8 O40 -","8","2","","Belov, N.V.; Simonov, M.A.; Yakubovich, O.V.","The crystal structure of the synthetic Mn-Kurchatovite Ca Mn (B2 O5)","Doklady Akademii Nauk SSSR","1978","238","","98","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510917","7.17","","6.64","","16.46","","90","","90","","105","","756.939","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Li6 Ho (B O3)3","","- B3 Ho Li6 O9 -","- B3 Ho Li6 O9 -","- B12 Ho4 Li24 O36 -","4","1","","Mamedov, Kh.S.; Dzhafarov, G.G.; Abdullaev, G.K.; Guseinova, S.A.; Rza-Zade, P.F.","Synthesis and structural study of lithium and holmium double orthoborate crystals","Zhurnal Neorganicheskoi Khimii","1977","22","","3239","3242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510934","7.115","","6.578","","16.324","","90","","90","","105.06","","737.763","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Li6 Yb (B O3)3","","- B3 Li6 O9 Yb -","- B3 Li6 O9 Yb -","- B12 Li24 O36 Yb4 -","4","1","","Mamedov, H.S.; Abdullaev, G.K.","Crystal structure of the double lithium ytterbium orthoborate Li6 Yb (B O3)3","Kristallografiya","1977","22","","389","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521034","9.4179","","18.8357","","6.8793","","90","","90","","120","","1056.84","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","(Ca9.576 Na0.212 Dy0.212) (P O4)6 (O H)2","","- Ca9.576 Dy0.212 H2 Na0.212 O26 P6 -","- Ca9.574 Dy0.212 H2 Na0.212 O26 P6 -","- Ca19.148 Dy0.424 H4 Na0.424 O52 P12 -","2","0.5","","Fleet, M.E.; Liu, X.-Y.; Pan, Y.-M.","Rare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure","American Mineralogist","2000","85","","1437","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526137","14.764","","7.561","","7.763","","90","","90","","93.01","","865.393","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Dy Gd4 Si2 Ge2","","- Dy Gd4 Ge2 Si2 -","- Dy Gd4 Ge2 Si2 -","- Dy4 Gd16 Ge8 Si8 -","4","1","","Nirmala, R.; Sankaranarayanan, V.; Sethupathi, K.; Morozkin, A.V.","Magnetism in Dy Gd4 Si2 Ge2","Journal of Alloys Compd.","2001","326","","174","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527615","8.46","","11.22","","11.09","","90","","90","","112","","976.024","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Rb Li2 (I O3)3","","- I3 Li2 O9 Rb -","- I3 Li2 O9 Rb -","- I12 Li8 O36 Rb4 -","4","1","","Kalinin, V.P.; Karataeva, I.M.; Vinogradov, E.E.; Vavilin, V.I.; Plyukhin, V.V.; Pakhomov, V.I.","Crystal structure of Rb I O3 (Li I O3)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","444","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528062","7.57","","10.472","","10.392","","90","","90","","118.23","","725.819","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Sm I O5 (H2 O)4","","- H8 I O9 Sm -","- I O9 Sm -","- I4 O36 Sm4 -","4","1","","Shamrai, N.B.; Varfolomeev, M.B.; Saf'yanov, Yu.N.; Plyukhin, V.V.; Kuz'min, E.A.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528063","7.516","","10.408","","10.249","","90","","90","","118.41","","705.186","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ho I O5 (H2 O)4","","- H8 Ho I O9 -","- Ho I O9 -","- Ho4 I4 O36 -","4","1","","Shamrai, N.B.; Varfolomeev, M.B.; Plyukhin, V.V.; Kuz'min, E.A.; Saf'yanov, Yu.N.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528064","7.457","","10.351","","10.212","","90","","90","","118.66","","691.664","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Yb (I O5) (H2 O)4","","- H8 I O9 Yb -","- I O9 Yb -","- I4 O36 Yb4 -","4","1","","Shamrai, N.B.; Plyukhin, V.V.; Saf'yanov, Yu.N.; Varfolomeev, M.B.; Kuz'min, E.A.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530120","8.333","","11.292","","11.121","","90","","90","","111.64","","972.69","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Rb Li2 (I O3)3","","- I3 Li2 O9 Rb -","- I3 Li2 O9 Rb -","- I12 Li8 O36 Rb4 -","4","1","","Kalinin, V.R.; Belov, N.V.; Ilyukhin, V.V.","Refinment of crystal structure of mixed rubidium-lithium iodate Rb I O3 * 2 Li I O3","Doklady Akademii Nauk SSSR","1978","241","","583","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530158","11.26","","15.74","","6.76","","90","","90","","104","","1162.5","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","(N H4)2 (Ru N O Cl4 (O H)) (H Cl) H2 O","","- Cl5 H12 N3 O3 Ru -","- Cl5 H12 N3 O3 Ru -","- Cl20 H48 N12 O12 Ru4 -","4","1","","Khodashova, T.S.; Bokii, G.B.; Porai-Koshits, M.A.; Sergienko, V.S.; Parpiev, N.A.","Refinement of composition and structure of hydrolyzed ammonium nitroso penta chloro ruthenate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1972","13","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","186591","2020-10-21","18:00:00",""
"1530191","7.155","","8.434","","6.888","","90","","90","","61.35","","364.767","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Zn (H Se O3)2 (H2 O)2","","- H6 O8 Se2 Zn -","- H6 O8 Se2 Zn -","- H12 O16 Se4 Zn2 -","2","0.5","","Kondrashev, Yu.D.; Nozik, Yu.Z.; Shibanova, T.A.; Fykin, L.E.","Neutron-diffraction investigation of the crystal structure of acid zinc selenite dihydrate Zn (H Se O3)2 (H2 O)2","Kristallografiya","1979","24","","586","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530453","10.606","","9.231","","10.654","","90","","90","","103.23","","1015.39","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","K In (S O4)2 (H2 O)4","","- H8 In K O12 S2 -","- In K O12 S2 -","- In4 K4 O48 S8 -","4","1","","Mukhtarova, N.N.; Rastsvetaeva, R.K.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of K In (S O4)2 (H2 O)4","Doklady Akademii Nauk SSSR","1979","245","","589","593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530454","10.645","","9.277","","10.739","","90","","90","","102.53","","1035.26","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","Rb In (S O4)2 (H2 O)4","","- H8 In O12 Rb S2 -","- In O12 Rb S2 -","- In4 O48 Rb4 S8 -","4","1","","Mukhtarova, N.N.; Rastsvetaeva, R.K.; Ilyukhin, V.V.; Belov, N.V.","Refinement of the crystal structure of Rb In (S O4)2 (H2 O)4","Doklady Akademii Nauk SSSR","1979","247","","600","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530484","8.9345","","11.592","","5.2186","","90","","90","","108.66","","512.073","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ca5 (Ge O4)2 (O H)2","","- Ca5 Ge2 H2 O10 -","- Ca5 Ge2 O10 -","- Ca10 Ge4 O20 -","2","0.5","","Nevskii, N.N.; Ivanova, L.I.; Belov, N.V.; Ilyukhin, V.V.","Crystal structure of calcium-germanium chondrodite Ca5 (Ge O4)2 (O H)2","Doklady Akademii Nauk SSSR","1978","243","","345","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530496","14.1","","13.88","","5.56","","90","","90","","120","","942.354","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Na2 Zr Ge O5","","- Ge Na2 O5 Zr -","- Ge Na2 O5 Zr -","- Ge8 Na16 O40 Zr8 -","8","2","","Nosirev, N.A.; Treushnikov, E.N.; Ilyukhin, V.V.; Belov, V.V.","About the crystal structure of Na, Zr-oxyortho-Germanate Na2 Zr Ge O5","Doklady Akademii Nauk SSSR","1974","216","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530498","5.531","","11.041","","8.241","","90","","90","","100.17","","495.352","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","Na2 Zn (S O4)2 (H2 O)2.22 (D2 O)1.78","","- D3.56 H4.44 Na2 O12 S2 Zn -","- D3.56 H4.44 Na2 O12 S2 Zn -","- D7.12 H8.88 Na4 O24 S4 Zn2 -","2","0.5","","Nozik, Yu.Z.; Fykin, L.E.","The position of hydrogen atoms and isotopic effects in the hydrogen bonds in Zn-astrakhanite","European Crystallographic Meeting","1980","6","","109","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530522","7.441","","8.343","","7.061","","90","","90","","98.98","","432.976","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Tl Sb F4","","- F4 Sb Tl -","- F4 Sb Tl -","- F16 Sb4 Tl4 -","4","1","","Ovchinnikov, V.E.; Udovenko, A.A.; Solov'eva, L.P.; Davidovich, R.L.; Volkova, L.M.","Crystal structures of thallium and ammonium tetrafluoroantimonies(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530523","8.184","","16.407","","6.947","","90","","90","","104.32","","903.825","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","N H4 Sb F4","","- F4 H4 N Sb -","- F4 H4 N Sb -","- F32 H32 N8 Sb8 -","8","2","","Ovchinnikov, V.E.; Udovenko, A.A.; Solov'eva, L.P.; Volkova, L.M.; Davidovich, R.L.","Crystal sturctures of thallium and ammonium tetrafluoroantimonies(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530617","10.361","","17.775","","8.32","","90","","90","","149.9","","768.449","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","Rb Ho (S O4)2 (H2 O)","","- H2 Ho O9 Rb S2 -","- Ho O9 Rb S2 -","- Ho4 O36 Rb4 S8 -","4","1","","Prokof'ev, M.V.","Crystal structure of the double sulfate of rubidium and holmium","Kristallografiya","1981","26","","598","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530665","15.396","","9.193","","11.496","","90","","90","","99.99","","1602.42","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","Rh (S C N3 H5)3 Cl3","","- C3 H15 Cl3 N9 Rh S3 -","- C3 Cl3 N9 Rh S3 -","- C12 Cl12 N36 Rh4 S12 -","4","1","","Rusanovsky, M.E.; Belov, N.V.; Kiseleva, I.N.; Samus, I.D.","The crystal structure of rhodium trithiosemicarbazide chloride (III) (Rh (Thios3) Cl3","Doklady Akademii Nauk SSSR","1980","250","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530666","13.507","","9.901","","16.131","","90","","90","","103.96","","2093.53","","","","","","","","","","","","","7","P 1 1 21/b","-P 2bc","14","","(Co (N H2 N H C S N H2)3) Cl3 (H2 O)4","","- C3 H23 Cl3 Co N9 O4 S3 -","- C3 Cl3 Co N9 O4 S3 -","- C12 Cl12 Co4 N36 O16 S12 -","4","1","","Rusanovsky, M.E.; Belov, N.V.; Samus, I.D.; Samus, N.M.; Bologa, O.A.","The crystal structure of geometrically isomeric forms of trithiosemicarbazidecobalt (III) chlorides","Doklady Akademii Nauk SSSR","1981","260","","98","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530781","13.69","","7.005","","6.692","","90","","90","","105.25","","619.155","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Li Pr (S O4)2","","- Li O8 Pr S2 -","- Li O8 Pr S2 -","- Li4 O32 Pr4 S8 -","4","1","","Sirotinkin, S.P.; Efremov, V.A.; Pokrovskii, A.N.; Kovba, L.M.","Crystal structure of lithium praseodymium sulfate Li Pr (S O4)2","Kristallografiya","1978","23","","406","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530801","7.334","","9.613","","17.32","","90","","90","","128.9","","950.305","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","K2 Cr3 O10","","- Cr3 K2 O10 -","- Cr3 K2 O10 -","- Cr12 K8 O40 -","4","1","","Soldatov, E.A.; Bochkova, R.I.; Belov, N.V.; Grishin, I.A.; Kuz'min, E.A.","The crystal strucutre of potassium trichromate K2 Cr3 O10","Doklady Akademii Nauk SSSR","1978","239","","1343","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530804","10.728","","9.434","","11.086","","90","","90","","101.58","","1099.15","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","N H4 In (Se O4)2 (H2 O)4","","- H12 In N O12 Se2 -","- In N O12 Se2 -","- In4 N4 O48 Se8 -","4","1","","Soldatov, E.A.; Ilyukhin, V.V.; Kuz'min, E.A.","Crystal structure of N H4 In (Se O4)2 (H2 O)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1979","20","","1081","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530809","8.321","","8.501","","6.636","","90","","90","","100.36","","461.757","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Mg (I O3)2 (H2 O)4","","- H8 I2 Mg O10 -","- I2 Mg O10 -","- I4 Mg2 O20 -","2","0.5","","Sorokina, N.I.; Vinogradov, E.E.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of Mg (I O3)2 (H2 O)4","Doklady Akademii Nauk SSSR","1979","247","","106","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530899","10.583","","8.626","","7.747","","90","","90","","112.19","","654.837","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","K (H (I O3)2)","","- H I2 K O6 -","- H I2 K O6 -","- H4 I8 K4 O24 -","4","1","","Treushnikov, E.N.; Loshmanov, A.A.; Kalinin, V.R.; Fukin, L.E.; Yamzin, I.I.; Ilyukhin, V.V.; Dudarev, V.Ya.; Solov'ev, S.P.","Neutron-diffraction study of the crystal structure of potassium acid iodate alpha-K I O3 H I O3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","263","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530920","15.58","","17.37","","7.46","","90","","90","","123.35","","1686.41","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","(N H4)2 Sb Cl3 F2","","- Cl3 F2 H8 N2 Sb -","- Cl3 F2 H8 N2 Sb -","- Cl24 F16 H64 N16 Sb8 -","8","2","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.","Crystal structure of (N H4)2 Sb Cl3 F2 and Rb2 Sb Cl3 F2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","305","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534307","8.886","","6.76","","11.394","","90","","90","","132.13","","507.59","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","K6 (Mn2 O6)","","- K6 Mn2 O6 -","- K6 Mn2 O6 -","- K12 Mn4 O12 -","2","0.5","","Brachtel, G.; Hoppe, R.","K6 Mn2 O6 und K6 F E O6 - ein Vergleich","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","446","","64","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534431","6.417","","13.356","","12.359","","90","","90","","101.85","","1036.66","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Fe S Cl7","","- Cl7 Fe S -","- Cl7 Fe S -","- Cl28 Fe4 S4 -","4","1","","Rybakov, V.B.; Timoshchenko, N.I.; Volkov, S.V.; Aslanov, L.A.; Fokina, Z.A.","X-ray investigation of iron(III) halogenchalcogenide complexes","Zhurnal Neorganicheskoi Khimii","1991","36","","2541","2548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534447","7.883","","10.672","","12.928","","90","","90","","95.92","","1081.8","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","(Rh2 Cl6 (Se Cl2)4)","","- Cl14 Rh2 Se4 -","- Cl14 Rh2 Se4 -","- Cl28 Rh4 Se8 -","2","0.5","","Rybakov, V.B.; Grafov, A.V.; Aslanov, L.A.; Volkov, S.V.; Fokina, Z.A.; Pekhn'o, V.I.","Crystal and molecular structures of binuclear complex of rhodium(III) chloride with selenium dichloride and complex of iridium(III) chloride with sulfur dichloride and trichloride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1992","33","","146","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535487","7.973","","7.923","","7.911","","90","","90","","121.68","","425.275","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","(N H4) (Zr F5)","","- F5 H4 N Zr -","- F5 N Zr -","- F20 N4 Zr4 -","4","1","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.","Crystal structure of waterless ammonium pentafluorozirconate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1483","1484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535662","5.346","","7.221","","9.618","","90","","90","","105.23","","358.248","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","Cu (Si F6) (H2 O)4","","- Cu F6 H8 O4 Si -","- Cu F6 H8 O4 Si -","- Cu2 F12 H16 O8 Si2 -","2","0.5","","Troyanov, S.I.; Morozov, I.V.; Korenev, Yu.M.","Refinement of the crystal structure and the study of thermal stability of CuSiF6(H2O)4.","Zhurnal Neorganicheskoi Khimii","1992","37","","380","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535668","6.631","","12.952","","10.071","","90","","90","","114.96","","784.161","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","K2 Zn (Zr F6)2 (H2 O)6","","- F12 H12 K2 O6 Zn Zr2 -","- F12 H12 K2 O6 Zn Zr2 -","- F24 H24 K4 O12 Zn2 Zr4 -","2","0.5","","Bukvetskii, B.V.; Gerasimenko, A.V.; Davidovich, R.L.; Teplukhina, L.V.; Kaidalova, T.A.","Crystal structure of potassium zinc hexafluorozirconate hexahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","526","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535672","10.072","","10.415","","5.611","","90","","90","","104.34","","570.254","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","K2 Na2 (Ti2 F8 (O2)2) (H2 O)2","","- F8 H4 K2 Na2 O6 Ti2 -","- F8 H4 K2 Na2 O6 Ti2 -","- F16 H8 K4 Na4 O12 Ti4 -","2","0.5","","Bukvetskii, B.V.; Chernyshev, B.N; Bakeeva, N.G.; Didenko, N.A.","Crystal structure of the (K, Na)2 Ti2 F8 (O2)2 H2 O peroxoflourotitanate salt","Zhurnal Neorganicheskoi Khimii","1995","40","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535777","5.561","","6.947","","6.763","","90","","90","","102.13","","255.437","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","K2 (Pd (O H)4)","","- H4 K2 O4 Pd -","- H4 K2 O4 Pd -","- H8 K4 O8 Pd2 -","2","0.5","","Il'inets, A.M.; Ivanov-Emin, B.N.; Petrishcheva, L.P.; Izmailovich, A.S.","Structure of dipotassium tetrahydroxopalladate(II)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1987","13","","1660","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535829","9.203","","9.493","","8.685","","90","","90","","103.8","","736.855","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","K (Bi Cl3 (N O3))","","- Bi Cl3 K N O3 -","- Bi Cl3 K N O3 -","- Bi4 Cl12 K4 N4 O12 -","4","1","","Udovenko, A.A.; Davidovich, R.L.","Crystal structure of potassium nitratotrichlorobismuthate(III) KBiCl3NO3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1354","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535847","17.012","","14.895","","6.483","","90","","90","","91.48","","1642.2","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F60 K24 Sb12 -","12","3","","Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.","X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.","Kristallografiya","1992","37","","735","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536271","8.278","","8.699","","6.99","","90","","90","","93.47","","502.429","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","Sb F (Se O4) (H2 O)","","- F H2 O5 Sb Se -","- F O5 Sb Se -","- F4 O20 Sb4 Se4 -","4","1","","Davidovich, R.L.; Zemnukhova, L.A.; Fedorishcheva, G.A.; Udovenko, A.A.; Eiberman, M.F.","Synthesis and investigation of thio- and selenofluoride of antimony(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","926","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536274","10.577","","9.406","","7.356","","90","","90","","103.39","","711.935","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","Cs (H2 P O4) (Sb F3)","","- Cs F3 H2 O4 P Sb -","- Cs F3 O4 P Sb -","- Cs4 F12 O16 P4 Sb4 -","4","1","","Davidovich, R.L.; Fedorishcheva, G.A.; Zemnukhova, L.A.; Ivanov, S.B.; Kaidalova, T.A.","Phosphate-fluoride complex compounds of antimony(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540146","6.454","","8.405","","17.481","","90","","90","","88.08","","947.74","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Na2 (H2 Ge O4) (H2 O)6","","- Ge H14 Na2 O10 -","- Ge Na2 O10 -","- Ge4 Na8 O40 -","4","1","","Il'inets, A.M.; Regel', L.L.; Kostrikin, A.V.; Ivanov-Emin, B.N.; Baturin, N.A.; Safronov, L.N.","Crystal structure of Na2 (Ge O2 (O H)2) 6(H2 O)","Kristallografiya","1989","34","","1127","1130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540984","5.961","","15.16","","8.543","","90","","90","","102.32","","754.242","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ba (B (O H)4)2 H2 O","","- B2 Ba H10 O9 -","- B2 Ba H10 O9 -","- B8 Ba4 H40 O36 -","4","1","","Simonov, M.A.; Karpov, O.G.; Shvirkst, Ya.Ya.; Gode, G.K.","Location of hydrogen atoms in the crystal structure of Ba(B(OH)4)2*H2O","Kristallografiya","1989","34","","1292","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541788","11.861","","16.125","","7.546","","90","","90","","94","","1439.72","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","La (Re O4)3 (H2 O)4","","- H8 La O16 Re3 -","- La O16 Re3 -","- La4 O64 Re12 -","4","1","","Mashonkin, V.P.; Varfolomeev, M.B.; Ilyukhin, V.V.","Crystal Structure of Monoclinic Rare Earth Perrhenate Tetrahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1248","1253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1561914","19.352","0.001","19.352","0.001","14.838","0.001","90","","90","","119.87","0.02","4818.6","1.1","293","2","293","2","","","","","","","","3","P 1 1 21/b","-P 2bc","14","CsCe2Cl7","","","- Ce8 Cl28 Cs4 -","- Ce8 Cl28 Cs4 -","- Ce32 Cl112 Cs16 -","4","1","","Zhuravleva, M.; Lindsey, A.; Chakoumakos, B.C.; Custelcean, R.; Meilleur, F.; Hughes, R.W.; Kriven, W.M.; Melcher, C.L.","Crystal structure and thermal expansion of a CsCe2Cl7 scintillator","Journal of Solid State Chemistry","2015","227","","142","149","10.1016/j.jssc.2015.03.032","","","0.71073","MoKα","","0.0734","0.0662","","","0.1459","0.15","","","","","","1.094","","","","has coordinates","264304","2021-04-19","08:58:23",""
"1570206","11.306","0.004","13.0779","0.0004","14.8702","0.0003","90","","90","","108.499","0.002","2085.1","0.7","100","","100","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","","- C21 H23 Cu N O9 -","- C21 H23 Cu N O9 -","- C84 H92 Cu4 N4 O36 -","4","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.0555","0.0485","","","0.1431","0.1483","","","","","","1.088","","","","has coordinates","288768","2024-01-06","07:39:05",""
"2000503","12.326","0.002","17.177","0.001","5.906","0.002","90","","90","","106.4","0.01","1199.6","0.5","293","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","","","","","- C14 H13 N S -","- C14 H13 N S -","- C56 H52 N4 S4 -","4","1","DU1010","Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M.","(<i>E</i>)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide","Acta Crystallographica Section C","1992","48","11","2098","2100","10.1107/S0108270192007339","","","0.71069","MoKα","","","0.045","","","0.044","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003007","9.07","0.006","15","0.01","6.575","0.005","90","","90","","106.92","0.05","855.8","1.1","300","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","thallium dideuterium phosphate","","- D2 O4 P Tl -","- D2 O4 P Tl -","- D16 O32 P8 Tl8 -","8","2","LC0004","Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot","Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~","Acta Crystallographica Section B","1998","54","6","790","797","10.1107/S0108768198005254","","neutron","0.8308","neutron","","","0.04","","","0.038","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004872","15.32","0.003","7.915","0.001","8.763","0.001","90","","90","","93.5","0.1","1060.6","0.3","293","2","293","2","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","m-Anisidinium Dihydrogenmonoarsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C28 H48 As4 N4 O20 -","4","1","DU1130","Abdellahi, M. O.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonoarsenate","Acta Crystallographica Section C","1996","52","5","1198","1200","10.1107/S0108270195012947","","","0.712","MoKα","","0.0707","0.0507","","0.1525","0.1359","","","","1.304","1.331","1.331","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2010067","7.144","0.004","9.417","0.003","14.862","0.005","90","","90","","100.12","0.03","984.3","0.7","293","1","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","","- C10 H24 Cl4 N4 Pt S2 -","- C14 H32 Cl4 N4 Pt S2 -","- C28 H64 Cl8 N8 Pt2 S4 -","2","0.5","PA1084","Nguyen-Huy Dung; Viossat, B.; Lancelot, J.C.","Sels de <i>S</i>,<i>S</i>'-(alcane-α,ω-diyle)bis(thiouronium). II. Tétrachloroplatinate(II) de <i>S</i>,<i>S</i>'-(octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1994","50","9","1434","1437","10.1107/S0108270194001198","","","0.7107","MoKα","","","0.034","","","0.038","","","","","3.5","3.5","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013128","7.71","0.002","32.35","0.005","5.4838","0.0006","90","","90","","96.82","0.013","1358.1","0.4","293","2","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","","- Ca4 Na Nb5 O17 -","- Ca4 Na Nb5 O17 -","- Ca16 Na4 Nb20 O68 -","4","1","FA1002","Zúñiga, F. J.; Darriet, J.","NaCa~4~Nb~5~O~17~: a layered perovskite <i>A</i>~<i>n~</i><i>B</i>~<i>n~</i>O~3<i>n~+2</i> compound","Acta Crystallographica Section C","2003","59","2","i18","i20","10.1107/S0108270102022746","","","0.71069","MoKα","","","0.028","","","","0.071","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2105370","6.522","","19.616","","11.797","","90","","90","","93.58","","1506.31","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- Ag4 P2 S6 -","- Ag4 P2 S6 -","- Ag24 P12 S36 -","6","1.5","","Michelet, A.; Toffoli, P.; Khodadad, P.; Rodier, N.","Structure de l'Hexathiodiphosphate(IV) d'Argent","Acta Crystallographica B (24,1968-38,1982)","1982","38","","706","710","10.1107/S0567740882003914","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107010","10.33","","12.82","","10.56","","90","","90","","98.9","","1381.63","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","La Ga S3","","- Ga La S3 -","- Ga La S3 -","- Ga12 La12 S36 -","12","3","","Julien-Pouzol, M.; Jaulmes, S.; Dagron, C.","Structure du Trisulfure de Lanthane et de Gallium","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1566","1568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107153","6.94","","6.91","","7.05","","90","","90","","99.28","","333.661","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Nd S Br","","- Br Nd S -","- Br Nd S -","- Br4 Nd4 S4 -","4","1","","Savigny, N.; Adolphe, C.; Zalkin, A.; Templeton, D.H.","Structure de Nd S Br et des sulfobromures de terres rares isotypes","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1532","1535","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107367","9.628","","19.256","","6.764","","90","","90","","120","","1086.02","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ca5 (P O4)3 Cl","","- Ca5 Cl O12 P3 -","- Ca5 Cl O12 P3 -","- Ca20 Cl4 O48 P12 -","4","1","","Mackie, P.E.; Elliott, J.C.; Young, R.A.","Monocline structure of synthetic Ca5 (P O4)3 Cl, chlorapatite","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1840","1848","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107427","5.829","","8.989","","9.154","","90","","90","","93.29","","478.851","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Na H As2 O6","","- As2 H Na O6 -","- As2 Na O6 -","- As8 Na4 O24 -","4","1","","Nguyen, H.D.; Tahar, J.","Hydrogenoarsenate de Sodium Na H As2 O6: Un Nouveau Type d'Anion Bidimensionnel Infini (As2 O6)n(2n-)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3727","3729","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107480","31.781","0.003","18.012","0.005","18.262","0.003","90","","90","","90.004","0.002","10454","4","100","","100","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","","- C23 H41 Fe N3 O2 P2 -","- C23 H40.9998 Fe N3 O2 P2 -","- C368 H655.997 Fe16 N48 O32 P32 -","16","4","UM5003","Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory","Acta Crystallographica Section B","2015","71","5","524","534","10.1107/S2052520615015097","","","0.71073","MoKα","","0.0818","0.0633","","","0.0784","0.0792","","","","","","3.87","","","","has coordinates","178107","2020-10-21","18:00:00",""
"2109021","10.2378","0.0003","20.4573","0.0007","7.4457","0.0002","90","","90","","120.039","0.005","1349.96","0.1","288","2","288","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","mimetite","","","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16.1067 Pb6.65733 -","- As12 Cl4 O48.32 Pb19.972 -","3","0.75","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0465","0.0394","","","0.0837","0.0861","","","","","","1.138","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109022","10.2398","0.0004","20.4774","0.0009","7.4554","0.0003","90","","90","","119.981","0.006","1354.1","0.13","273","2","273","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","mimetite","","","- As3 Cl O12 Pb5 -","- As3 Cl O12 Pb5 -","- As12 Cl4 O48 Pb20 -","4","1","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0411","0.0318","","","0.0683","0.0714","","","","","","1.05","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109023","10.2552","0.0003","20.4913","0.0006","7.4576","0.0002","90","","90","","119.993","0.002","1357.29","0.07","288","2","288","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","mimetite","- As2 Cl0.67 O8 Pb3.33 -","- As2 Cl0.666667 O8 Pb3.33333 -","- As12 Cl4 O48 Pb20 -","6","1.5","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0426","0.0327","","","0.0745","0.078","","","","","","1.056","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109024","10.2544","0.0004","20.5052","0.0007","7.4568","0.0002","90","","90","","119.971","0.005","1358.26","0.1","353","2","353","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","mimetite","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16 Pb6.66667 -","- As12 Cl4 O48 Pb20 -","3","0.75","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0395","0.0289","","","0.0658","0.0688","","","","","","1.079","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2310247","4.114","","7.14","","5.501","","90","","90","","90.05","","161.586","","","","","","","","","","","","","2","P 1 1 21/b","-P 2bc","14","","","","- Ni Y -","- Ni Y -","- Ni4 Y4 -","4","1","","Smith, J.F.; Hansen, D.A.","The structure of Y Ni","Acta Crystallographica (1,1948-23,1967)","1965","18","","60","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4003208","3.629473","","9.812765","","18.426905","","90","","90","","118.042","","579.231","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- C5 N5 O -","- C20 N20 O4 -","- C20 N20 O4 -","1","0.25","","Hirsch, Anna; Gur, Dvir; Polishchuk, Iryna; Levy, Davide; Pokroy, Boaz; Cruz-Cabeza, Aurora J.; Addadi, Lia; Kronik, Leeor; Leiserowitz, Leslie","“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine","Chemistry of Materials","2015","27","24","8289","","10.1021/acs.chemmater.5b03549","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","231429","2020-10-21","18:00:00",""
"4123978","8.46","","11.34","","5.31","","90","","90","","96.1","","506.538","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","H I Cl4 (H2 O)4","","- Cl4 H9 I O4 -","- Cl4 I O4 -","- Cl8 I2 O8 -","2","0.5","","Bateman, R.J.; Bateman, L.R.","Solid-state structure, nuclear quadrupole resonance spectrum, and the resultant symmetry implications for tetrachloro- iodic acid tetrahydrate","Journal of the American Chemical Society","1972","94","","1130","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4308183","12.8947","0.0005","13.5128","0.0005","13.9914","0.0005","90","","90","0.004","64.28","0.002","2196.38","0.15","293","2","293","2","","","","","","","","8","P 1 1 21/b","-P 2bc","14","","Bis(phenyltris(1-methyl-imidazol-2-ylidene)borato)maganese(iv) triflate","","- C8.44 H8.89 B0.44 F1.33 Mn0.22 N2.67 O1.33 S0.44 -","- C8.44444 H8.88889 B0.444444 F1.33333 Mn0.222222 N2.66667 O1.33333 S0.444444 -","- C76 H80 B4 F12 Mn2 N24 O12 S4 -","9","2.25","","Adam P. Forshaw; Ranko P. Bontchev; Jeremy M. Smith","Oxidation of the Tris(carbene)borate Complex PhB(MeIm)3MnI(CO)3 to MnIV[PhB(MeIm)3]2(OTf)2","Inorganic Chemistry","2007","46","","3792","3794","10.1021/ic070187w","","","0.71073","mokα","","0.0438","0.0404","","","0.1132","0.1232","","","","","","1.092","","","","has coordinates","189832","2020-10-21","18:00:00",""
"4323889","10.307","0.001","19.069","0.004","19.608","0.002","90","","90","","95.67","0.01","3835","1","293","2","293","2","","","","","","","","7","P 1 1 21/b","-P 2bc","14","","","","- C28 H53 B9 Mo N2 O3 S2 -","- C28 H45 B9 Mo N2 O3 S2 -","- C112 H180 B36 Mo4 N8 O12 S8 -","4","1","","Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do","Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes","Inorganic Chemistry","1996","35","","5112","5113","10.1021/ic960223j","","","0.71073","MoKα","","0.1182","0.0714","","0.1834","0.1571","","","","1.104","1.175","1.175","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"7217892","9.426","0.003","18.856","0.005","6.887","0.001","90","","90","","119.97","0.01","1060.4","0.5","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Pentacalcium tris(phosphate(V)) hydroxide","","- Ca5 H O13 P3 -","- Ca20 O52 P12 -","- Ca20 O52 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"9001263","9.4877","","18.9628","","6.8224","","90","","90","","119.974","","1063.27","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","Chlorapatite","- Ca5 Cl0.47 F0.29 H O12.24 P3 -","- Ca5 Cl0.47 F0.29 H0.24 O12.24 P3 -","- Ca20 Cl1.88 F1.16 H0.96 O48.96 P12 -","4","1","","Hughes J M; Cameron M; Crowley K D","Crystal structures of natural ternary apatites: Solid solution in the Ca5(PO4)3X (X = F,OH,Cl) system","American Mineralogist","1990","75","","295","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9002434","9.6501","","19.3002","","6.7724","","90","","90","","120","","1092.36","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","Chlorapatite","- Ca4.899 Cl La0.052 Na0.05 O12 P3 -","- Ca4.899 Cl La0.0519 Na0.05 O12 P3 -","- Ca19.596 Cl4 La0.2076 Na0.2 O48 P12 -","4","1","","Fleet M E; Liu X; Pan Y","Rare-earth elements in chlorapatite [Ca10(PO4)6(Cl)2]: Uptake, site preference, and degradation of monoclinic structure Sample: La-ClAp","American Mineralogist","2000","85","","1437","1446","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004240","10.1891","","20.3723","","7.4564","","90","","90","","119.883","","1341.99","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","Clinomimetite","- As3 Cl O12 Pb5 -","- As3 Cl O12 Pb5 -","- As12 Cl4 O48 Pb20 -","4","1","","Yongshan, D.; Hughes, J. M.; Moore, P. B.","The crystal structures of mimetite and clinomimetite, Pb5(AsO4)3Cl Locality: Johanngeorgenstat, Erzgebirge, Sachsen, Germany","The Canadian Mineralogist","1991","29","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9011105","4.683","","5.556","","10.79","","90","","90","","96","","279.204","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- Er2 O7 Si2 -","- Er2 O7 Si2 -","- Er4 O14 Si4 -","2","0.5","","Smolin, Y. I.; Shepelev, Y. F.","The crystal structures of the rare earth pyrosilicates","Acta Crystallographica, Section B","1970","26","","484","492","10.1107/S0567740870002698","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011870","7.975","","12.571","","7.237","","90","","90","","86.14","","723.89","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","Solongoite","- B3 Ca2 Cl H4 O8 -","- B3 Ca2 Cl H4 O8 -","- B12 Ca8 Cl4 H16 O32 -","4","1","","Yamnova, N. A.; Simonov, M. A.; Belov, N. V.","Refined crystal structure of solongoite Ca2[B3O4(OH)4]Cl","Soviet Physics Crystallography","1977","22","","356","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011876","8.9207","","11.4481","","5.0759","","90","","90","","108.32","","492.103","","","","","","","","","","","","Synthetic","4","P 1 1 21/b","-P 2bc","14","","","Reinhardbraunsite","- Ca5 H2 O10 Si2 -","- Ca5 H2 O10 Si2 -","- Ca10 H4 O20 Si4 -","2","0.5","","Kuznetsova, T. P.; Nevskii, N. N.; Ilyukhin, V. V.; Belov, N. V.","Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 Locality: synthetic","Soviet Physics Crystallography","1980","25","","91","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011890","9.54","","14.26","","5.6","","90","","90","","116.517","","681.684","","","","","","","","","","","","Synthetic","4","P 1 1 21/b","-P 2bc","14","","","Khibinskite","- K2 O7 Si2 Zr -","- K2 O7 Si2 Zr -","- K8 O28 Si8 Zr4 -","4","1","","Chernov, A. N.; Maksimov, B. A.; Ilyukhin, V. V.; Belov, N. V.","Crystalline structure of monoclinic modification of K,Zr-diorthosilicate (K2ZrSi2O7)","Soviet Physics Doklady","1971","15","","711","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011894","12.331","","5.489","","11.092","","90","","90","","78.42","","735.479","","","","","","","","","","","","Siberia, Russia","4","P 1 1 21/b","-P 2bc","14","","","Clinokurchatovite","- B2 Ca Mg O5 -","- B2 Ca Mg O5 -","- B16 Ca8 Mg8 O40 -","8","2","","Yakubovich, O. V.; Yamnova, N. A.; Shchedrin, B. M.; Simonov, M. A.; Belov, N. V.","Crystal structure of magnesium kurchatovite CaMg[B2O5]","Soviet Physics Doklady","1976","21","","294","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011900","12.45","","5.514","","11.145","","90","","90","","104.13","","741.948","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","Clinokurchatovite","- B2 Ca Fe0.11 Mg0.89 O5 -","- B2 Ca Fe0.11 Mg0.89 O5 -","- B16 Ca8 Fe0.88 Mg7.12 O40 -","8","2","","Simonov, M. A.; Egorov-Tismenko Y K; Yamnova, M. A.; Belokoneva, E. L.; Belov, N. V.","Crystal structure of natural monoclinic kurchatovite Ca2(Mg0.86Fe0.14)(Mg0.92Fe0.08)[B2O5]2","Soviet Physics Doklady","1980","25","","1125","1128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011901","6.565","","13.171","","11.727","","90","","90","","105.26","","978.253","","","","","","","","","","","","Khibinsk massif, Kola Peninsula, Russia","5","P 1 1 21/b","-P 2bc","14","","","Kostylevite","- H2 K2 O10 Si3 Zr -","- H2 K2 O10 Si3 Zr -","- H8 K8 O40 Si12 Zr4 -","4","1","","Ilyukhin, V. V.; Khomyakov, A. P.; Shumyatskaya, N. G.; Voronkov, A. A.; Nevskii, N. N.; Belov, N. V.","The crystal structure of the new natural zirconosilicate K4Zr2Si6O18*2H2O Note: dimorphic with umbite Note: y(O7) corrected","Soviet Physics Doklady","1981","26","","118","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012621","11.503","","10.53","","12.58","","90","","90","","99.48","","1502.96","","","","","","","","","","","","volcanic ash deposit, near Belgrade, Yugoslavia","5","P 1 1 21/b","-P 2bc","14","","","Studenitsite","- B9 Ca2 H8 Na O20 -","- B9 Ca2 H8 Na O20 -","- B36 Ca8 H32 Na4 O80 -","4","1","","Yamnova, N. A.; Egorov-Tismenko Yu K; Pushcharovskii D Yu; Malinko, S. V.; Dorokhova, G. I.","Crystal structure of a new natural Na,Ca-hydroborate NaCa2[B9O14(OH)4]*2H2O","Crystallography Reports","1993","38","","749","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012751","6.67","","15.92","","6.985","","90","","90","","97.3","","735.7","","","","","","","","","","","","Strel'tsovskii ore field, Transbaikal region, Russia","5","P 1 1 21/b","-P 2bc","14","","","Uranophane - alpha","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca2 H24 O34 Si4 U4 -","2","0.5","","Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Pushcharovsky, D. Y.","Crystal structure of high-symmetry alpha-uranophane","Doklady Chemistry","2001","378","","122","124","10.1023/A:1019246301667","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""