# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-18T19:09:16+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 m 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1010666","11.8","","10.6","","7.42","","90","","98.65","","90","","917.5","","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","Carbonatotetraamminecobalt(III) sulfate trihydrate","","- Co2 H30 N8 O13 S -","","","2","1","","Strock, L W","The crystallography and space group of carbanato tetrammine cobalti sulfate, (Co C O~3~ (N H~3~)~4~)~2~ S O~4~ (H~2~ O)~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","42","52","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1501475","4.0055","0.0009","3.9897","0.0008","4.0426","0.0008","90","","90.19","0.02","90","","64.6","0.02","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501483","4.0054","0.0006","3.9896","0.0005","4.0452","0.0006","90","","90.23","0.01","90","","64.642","0.016","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501484","4.005","0.0002","3.9851","0.0002","4.0475","0.0002","90","","90.241","0.004","90","","64.599","0.006","","","150","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501485","4.0022","0.0002","3.9838","0.0002","4.0503","0.0002","90","","90.252","0.004","90","","64.577","0.006","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","- Mg0.213 Nb0.427 O3 Pb Ti0.36 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501493","4.019","0.0002","4.0078","0.0002","4.0276","0.0002","90","","90.128","0.006","90","","64.874","0.006","","","340","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501494","4.02","0.0003","4.0046","0.0002","4.0281","0.0003","90","","90.178","0.005","90","","64.846","0.008","","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501495","4.0204","0.0004","3.9997","0.0002","4.0289","0.0004","90","","90.241","0.004","90","","64.786","0.01","","","200","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501496","4.022","0.0004","3.9946","0.0002","4.0314","0.0004","90","","90.314","0.005","90","","64.769","0.01","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501511","4.0183","0.0002","4.0046","0.0001","4.0276","0.0002","90","","90.146","0.003","90","","64.811","0.005","","","80","","","","","","","","","5","P 1 m 1","P -2y","6","","","","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","- Mg0.227 Nb0.453 O3 Pb Ti0.32 -","1","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1526572","3.854","","3.676","","6.32","","90","","90.31","","90","","89.536","","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","Li3 Na3 N2","","- Li3 N2 Na3 -","- Li3 N2 Na3 -","- Li3 N2 Na3 -","1","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","147772","2020-10-21","18:00:00",""
"1526576","4.28","","3.86","","7.827","","90","","121.71","","90","","110.005","","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","Li5 Na N2","","- Li5 N2 Na -","- Li5 N2 Na -","- Li5 N2 Na -","1","0.5","","Schoen, J.C.; Wevers, M.A.C.; Jansen, M.","Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N)","Solid State Sciences","2000","2","","449","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527600","9.3992","","3.2088","","6.5369","","90","","109.592","","90","","185.74","","","","","","","","","","","","","2","P 1 m 1","P -2y","6","","","","- Mo8 P5 -","- Mo8 P5 -","- Mo8 P5 -","1","0.5","","Johnsson, Torsten","The crystal structure of Mo8 P5 from twin-crystal data","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","365","382","10.3891/acta.chem.scand.26-0365","","","","","","","","","","","","","","","","","","","","","has coordinates","296945","2024-12-21","10:12:41",""
"1535407","5.346","","37.05","","7.698","","90","","90","","90","","1524.74","","","","","","","","","","","","","5","P 1 m 1","P -2y","6","","Ba Al2 (Si O4)2 (H2 O)2","","- Al2 Ba H4 O10 Si2 -","- Al2 Ba O10 Si2 -","- Al16 Ba8 O80 Si16 -","8","4","","Bolotina, N.B.; Rastsvetaeva, R.K.; Andrianov, V.I.; Kashaev, A.A.","Refinement of modulated crystals. Structure of kimrite.","Kristallografiya","1991","36","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536534","10.9391","","3.0989","","4.9819","","90","","90","","90","","168.882","","","","","","","","","","","","","2","P 1 m 1","P -2y","6","","Nb2 C","","- C Nb1.91 -","- C Nb1.91 -","- C4 Nb7.64 -","4","2","","Khaenko, B.V.; Gnitetskii, O.A.","Crystal structure of Nb2C carbide low temperature ordered modification","Kristallografiya","1993","38","","55","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1563405","11.566","0.002","7.6427","0.0015","17.742","0.004","90","","98.03","0.03","90","","1552.9","0.5","93","2","93","","","","","","","","","3","P 1 m 1","P -2y","6","","","","- Bi3 In4 S10 -","- Bi3 In4 S10 -","- Bi12 In16 S40 -","4","2","","Yin, Wenlong; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi‒Bi bonding","Journal of Solid State Chemistry","2010","183","11","2544","2551","10.1016/j.jssc.2010.08.028","","","0.71073","MoKα","","0.061","0.0498","","","0.1239","0.1307","","","","","","0.98","","","","has coordinates","266436","2021-06-14","09:25:25",""
"1563686","6.856","0.0006","10.9802","0.001","7.9147","0.0007","90","","90.016","0.001","90","","595.82","0.09","153","2","153","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Cu3 La4 Mo O12 -","- Cu3 La4 Mo O12 -","- Cu6 La8 Mo2 O24 -","2","1","","Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio","Single crystal growth and structure of La4Cu3MoO12","Journal of Solid State Chemistry","2010","183","3","551","556","10.1016/j.jssc.2009.11.019","","","0.71073","MoKα","","0.0647","0.0554","","","0.1759","0.1966","","","","","","1.09","","","","has coordinates","266665","2021-06-24","08:39:09",""
"1563687","6.856","0.0006","10.9802","0.001","7.9147","0.0007","90","","90.016","0.001","90","","595.82","0.09","153","2","153","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Cu3 La4 Mo O12 -","- Cu3 La4 Mo O12 -","- Cu6 La8 Mo2 O24 -","2","1","","Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio","Single crystal growth and structure of La4Cu3MoO12","Journal of Solid State Chemistry","2010","183","3","551","556","10.1016/j.jssc.2009.11.019","","","0.71073","MoKα","","0.0514","0.0448","","","0.1424","0.1583","","","","","","1.107","","","","has coordinates,has disorder","266665","2021-06-24","08:39:10",""
"1563688","6.856","0.0006","10.9802","0.001","7.9147","0.0007","90","","90.016","0.001","90","","595.82","0.09","153","2","153","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Cu3 La4 Mo O12 -","- Cu3 La4 Mo O12 -","- Cu6 La8 Mo2 O24 -","2","1","","Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio","Single crystal growth and structure of La4Cu3MoO12","Journal of Solid State Chemistry","2010","183","3","551","556","10.1016/j.jssc.2009.11.019","","","0.71073","MoKα","","0.0556","0.049","","","0.147","0.1654","","","","","","1.083","","","","has coordinates","266665","2021-06-24","08:39:10",""
"1569029","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Yuan, Amelia T.; Stillman, Martin J.","Arsenic binding to human metallothionein-3.","Chemical science","2023","14","21","5756","5767","10.1039/d3sc00400g","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284240","2023-06-05","04:10:09",""
"1569180","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Liu, Jiaqi; Wang, Hao; Li, Jing","Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.","Chemical science","2023","14","22","5912","5917","10.1039/d3sc01134h","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284897","2023-07-05","09:43:44",""
"2002388","6.516","0.005","10.62","0.008","5.866","0.017","90","","92.4","0.3","90","","405.6","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Calcium magnesium yttrium oxide (.33/1/2.67/5.33)","","- Ca0.33 Mg O6 Y2.67 -","- Ca0.32 Mg O6 Y2.68 -","- Ca0.96 Mg3 O18 Y8.04 -","3","1.5","","Schroeder, F; Mueller-Buschbaum, Hk","Neue metastabile Oxolanthanoide: Ba Ca2 Y6 O12 und Ca0.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16)","Journal of the Less-Common Metals","1986","116","","211","218","10.1016/0022-5088(86)90230-4","","","","","","0.102","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002390","6.516","0.002","10.62","0.008","5.866","0.017","90","","92.4","0.3","90","","405.6","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Calcium magnesium yttrium oxide (.33/1/2.67/5.33)","","- Ca Mg3 O16 Y8 -","- Ca0.996 Mg3 O16.02 Y8.004 -","- Ca0.996 Mg3 O16.02 Y8.004 -","1","0.5","","Schroeder, F; Mueller-Buschbaum, Hk","Neue metastabile oxolanthanoide: Ba Ca2 Y6 O12 und Ca.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16)","Journal of the Less-Common Metals","1986","116","","211","218","10.1016/0022-5088(86)90230-4","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2101649","19","","3.9","","13.8","","90","","93.5","","90","","1020.67","","","","","","","","","","","","","4","P 1 m 1","P -2y","","","","","- Nb7 O56 W12.5 Zr0.5 -","- M20 -","- M20 -","1","0.5","SE0196","Krumeich, F.; Liedtke, G.; Mader, W.","A novel intergrowth structure between ReO~3~-type and tetragonal tungsten bronze-type in the Zr/Nb/W/O system","Acta Crystallographica Section B","1996","52","6","917","922","10.1107/S0108768196006891","","","","electronbeam","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104293","5.64304","0.00005","3.93188","0.00002","5.6126","0.00005","90","","89.9136","0.0006","90","","124.531","0.0017","293","","293","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K0.6 Na1.4 Nb2 O6 -","2","1","KD5027","Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M.","Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36","Acta Crystallographica Section B","2009","65","1","22","28","10.1107/S0108768108037361","","neutron","","neutron","","","","","","","","","","0.646","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104386","5.60123","0.00012","7.79834","0.00015","5.548","0.00014","90","","90.051","0.004","90","","242.338","0.009","","","300","","","","","","","","","4","P 1 m 1","P -2y","6","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.2 Na3.8 Nb4 O12 -","4","2","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.73","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104388","5.65868","0.00012","3.93856","0.00005","5.6248","0.00013","90","","90.073","0.003","90","","125.36","0.004","","","200","","","","","","","","","4","P 1 m 1","P -2y","6","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K0.6 Na1.4 Nb2 O6 -","2","1","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.42","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310806","7.9162","","7.835","","7.8993","","90","","90.325","","90","","489.934","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Na0.2 K0.8 Nb O3","","- K0.8 Na0.2 Nb O3 -","- K0.8 Na0.2 Nb O3 -","- K6.4 Na1.6 Nb8 O24 -","8","4","","Ahtee, M.; Hewat, A.W.","Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction","Acta Crystallographica A (24,1968-38,1982)","1978","34","","309","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310808","7.9751","","7.862","","7.9565","","90","","90.34","","90","","498.866","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Na0.35 K0.65 Nb O3","","- K0.65 Na0.35 Nb O3 -","- K0.65 Na0.35 Nb O3 -","- K5.2 Na2.8 Nb8 O24 -","8","4","","Athee, M.; Hewat, A.W.","Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction","Acta Crystallographica A (24,1968-38,1982)","1978","34","","309","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311059","7.8567","","7.767","","7.8478","","90","","90.856","","90","","478.843","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","(Na0.98 K0.02) (Nb O3)","","- K0.02 Na0.98 Nb O3 -","- K0.02 Na0.98 Nb O3 -","- K0.16 Na7.84 Nb8 O24 -","8","4","","Ahtee, M.; Hewat, A.W.","The structures of Na0.98 K0.02 Nb O3 and Na0.9 K0.1 Nb O3 (phase Q) at room temperature by neutron powder diffraction","Acta Crystallographica A (24,1968-38,1982)","1975","31","","846","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311060","7.8782","","7.792","","7.8632","","90","","90.479","","90","","482.681","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Na.90 K.10 Nb O3","","- K0.1 Na0.9 Nb O3 -","- K0.1 Na0.9 Nb O3 -","- K0.8 Na7.2 Nb8 O24 -","8","4","","Ahtee, M.; Hewat, A.W.","The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction","Acta Crystallographica A (24,1968-38,1982)","1975","31","","846","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311721","6.425","0.003","7.148","0.0016","6.4274","0.0018","90","","91.21","0.03","90","","295.12","0.17","318","","318","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 Cl4 Fe N -","- C4 Cl4 Fe N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0782","0.0711","","0.1864","0.1822","0.1864","","","","","","0.9353","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311728","6.4571","0.0005","7.1456","0.0005","6.4596","0.0006","90","","91.721","0.008","90","","297.91","0.04","300","","300","","","","","","","","","5","P 1 m 1","P -2y","6","","Tetramethylammonium tetrachlorogallate(III)","","- C4 H12 Cl4 Ga N -","- C4 Cl4 Ga N -","- C4 Cl4 Ga N -","1","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0432","0.0425","","0.0995","0.0989","0.0995","","","","","","0.9828","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2312687","5.9019","0.0002","7.8744","0.0003","9.6538","0.0003","90","","107.794","0.001","90","","427.19","0.03","301","2","301","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Al4 Ba6 O15 Y2 -","- Al4 Ba6 O15 Y2 -","- Al4 Ba6 O15 Y2 -","1","0.5","OP3025","Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori","Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","464","471","10.1107/S2053229623008860","","x-ray","0.71073","MoKα","","0.0333","0.0279","","","0.0571","0.0598","","","","","","1.101","","","","has coordinates,has Fobs","295819","2024-11-07","03:02:40",""
"4001797","38.3106","","7.72437","","38.2799","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.5","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4003449","9.7129","0.0005","3.7122","0.0002","10.9575","0.0005","90","","102.007","0.001","90","","386.44","0.03","293","2","293","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","1","0.5","","Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi","K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold","Chemistry of Materials","2019","31","24","10100","","10.1021/acs.chemmater.9b03214","","","0.71073","MoKα","","0.0389","0.0388","","","0.1014","0.1018","","","","","","1.109","","","","has coordinates","246543","2020-10-21","18:00:00",""
"4066934","10.017","0.002","26.789","0.004","10.0531","0.0017","90","","118.64","0.02","90","","2367.6","0.8","193","2","193","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- C30 H72 O3 Si9 -","- C30 H72 O3 Si9 -","- C60 H144 O6 Si18 -","2","1","","Berkefeld, André; Troegel, Dennis; Burschka, Christian; Tacke, Reinhold","Synthesis and Characterization of {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives","Organometallics","2010","29","20","4548","","10.1021/om100721t","","","0.71073","MoKα","","0.0509","0.0464","","","0.1285","0.1314","","","","","","1.06","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4109817","10.341","0.0017","17.855","0.003","10.3418","0.0017","90","","90.073","0.002","90","","1909.5","0.5","298","2","298","2","","","","","","","","5","P 1 m 1","P -2y","6","","[bis(3,6-di-tert-butyl-o-benzosemiquinonato)(pyridine)copper(II)] ester solvate","","- C37 H55 Cu N O5 -","- C37 H45 Cu N O5 -","- C74 H90 Cu2 N2 O10 -","2","1","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0568","0.0536","","","0.1252","0.1275","","","","","","1.019","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4119149","4.04976","0.00006","3.99218","0.00006","4.02076","0.00007","90","","90.1012","0.0027","90","","65.005","0.0018","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","","","- K Nb O3 -","- K Nb O3 -","- K Nb O3 -","1","0.5","","Seungwook Kim; Ju-Hyuck Lee; Jaeyeon Lee; Sang-Woo Kim; Myung Hwa Kim; Sungnam Park; Haegeun Chung; Yong-Il Kim; Woong Kim","Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature","Journal of the American Chemical Society","2013","135","","6","9","10.1021/ja308209m","powder diffraction","neutron,x-ray","1.7889","Kα~1~","","","","","","","","","","1.23","","","","","","","has coordinates,has Fobs","178962","2020-10-21","18:00:00",""
"4306162","7.0489","0.0015","10.496","0.003","7.984","0.002","90","","95.457","0.01","90","","588","0.3","120","2","120","2","","","","","","","","5","P 1 m 1","P -2y","6","","Dibromido(1,2-bis(dimethylphosphino)benzene)indium(III) tetrabromidoindate(III)","","- C10 H16 Br6 In2 P2 -","- C10 H16 Br6 In2 P2 -","- C10 H16 Br6 In2 P2 -","1","0.5","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.0505","0.049","","","0.1315","0.1336","","","","","","1.058","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4309523","8.464","0.005","7.613","0.005","13.176","0.008","90","","90.482","0.009","90","","849","0.9","193","2","193","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C24 H19 B2 Cu2 N9 -","- C24 H19 B2 Cu2 N8.875 -","- C24 H19 B2 Cu2 N8.875 -","1","0.5","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.2367","0.0948","","","0.2165","0.2699","","","","","","0.919","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4312633","6.2215","0.0002","15.7707","0.0007","11.6478","0.0005","90","","92.645","0.002","90","","1141.63","0.08","293","2","293","2","","","","","","","?","5","P 1 m 1","P -2y","6","","","","- C4 Ag5 N4 S8 Sb3 -","- C4 Ag5 N4 S8 Sb3 -","- C8 Ag10 N8 S16 Sb6 -","2","1","","Paz Vaqueiro; Ann M. Chippindale; Andrew R. Cowley; Anthony V. Powell","Templated Synthesis of the Novel Layered Silver-Antimony Sulfides [H3NCH2CH2NH2][Ag2SbS3] and [H3NCH2CH2NH2]2[Ag5Sb3S8]","Inorganic Chemistry","2003","42","","7846","7851","10.1021/ic034926u","","","0.71073","MoKα","","","0.0302","","","0.0319","0.0319","","","","","","1.1177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325045","4.6348","0.0009","6.9111","0.0014","10.507","0.002","90","","97.77","0.03","90","","333.47","0.12","200","0.2","200","0.2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- In O8 Se2 V -","- In O8 Se2 V -","- In2 O16 Se4 V2 -","2","1","","Dong Woo Lee; Seung-Jin Oh; P. Shiv Halasyamani; Kang Min Ok","New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8","Inorganic Chemistry","2011","50","","4473","4480","10.1021/ic200135k","","","0.71073","MoKα","","0.0419","0.0343","","","0.0589","0.0632","","","","","","0.952","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4348367","9.6621","0.0016","15.84","0.003","9.6626","0.0016","90","","119.98","0.002","90","","1281","0.4","163","2","163","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C8 H24 I6 N2 Pb2 -","- C8 H24.5 I6 N2 Pb2 -","- C16 H49 I12 N4 Pb4 -","2","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0668","0.0664","","","0.1816","0.1821","","","","","","1.036","","","","has coordinates","232890","2020-10-21","18:00:00",""
"4516817","7.7704","0.0005","16.1957","0.001","10.2976","0.0006","90","","90.612","0.002","90","","1295.85","0.14","120","","120","","","","","","","","","6","P 1 m 1","P -2y","6","","","","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C24.75 H29 Cl2 N2 O2.75 S2 -","- C49.5 H58 Cl4 N4 O5.5 S4 -","2","1","","Zhang, Wei; Gan, Shiyu; Vezzoli, Andrea; Davidson, Ross J.; Milan, David C.; Luzyanin, Konstantin V.; Higgins, Simon J.; Nichols, Richard J.; Beeby, Andrew; Low, Paul J.; Li, Buyi; Niu, Li","Single-Molecule Conductance of Viologen-Cucurbit[8]uril Host-Guest Complexes.","ACS nano","2016","10","5","5212","5220","10.1021/acsnano.6b00786","","x-ray","0.71073","MoKα","","0.0486","0.0416","","","0.1105","0.1145","","","","","","1.035","","","","has coordinates,has disorder","239565","2020-10-21","18:00:00",""
"7008754","9.0641","0.0001","26.5943","0.0004","9.4785","0.0001","90","","117.044","0.0008","90","","2035","0.05","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 m 1","P -2y","6","bis(((1,4,8,11-tetraazacyclotetradecane-1- yl)methylphosphonate)copper(ii)) trihydrobromide hexahydrate","","","- C22 H65 Br3 Cu2 N8 O12 P2 -","- C22 H63 Br3 Cu2 N8 O12 P2 -","- C44 H126 Br6 Cu4 N16 O24 P4 -","2","1","","Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan","Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2908","2915","10.1039/b507062g","","","0.71073","MoKα","","0.0286","0.025","","","0.0528","0.0541","","","","","","1.036","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7218665","5.8849","0.0013","24.903","0.003","6.2247","0.0008","90","","98.864","0.011","90","","901.3","0.3","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","","Hexamethylenetetramine 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N4 -","- C12 H12 F3 I3 N4 -","- C24 H24 F6 I6 N8 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0337","0.0292","","","0.0683","0.0699","","","","","","1.043","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7248322","8.7169","0.0003","7.4368","0.0003","10.3692","0.0003","90","","103.038","0.003","90","","654.86","0.04","100","2","100.01","0.1","","","","","","","","8","P 1 m 1","P -2y","6","","3-((5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)propanenitrile","","- C11 H12 B F2 N O2 S Si -","- C11 H12 B F2 N O2 S Si -","- C22 H24 B2 F4 N2 O4 S2 Si2 -","2","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1168","0.1195","","","","","","1.082","","","","has coordinates","290568","2024-03-21","00:58:29",""
"7702339","21.724","0.009","12.901","0.004","11.004","0.006","90","0","102.83","0.04","90","0","3007","2","293","","293","","","","","","","","","7","P 1 m 1","P -2y","6","","","","- C15 H21 Cl3 I2 N4 Pd S6 -","- C3.325 H5 Cl0.375 I0.25 N Pd0.125 S1.25 -","- C13.3 H20 Cl1.5 I N4 Pd0.5 S5 -","4","2","","Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lelj, Francesco; Lippolis, Vito; Pedraglio, Samuele; Verani, Gaetano","Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3731","","10.1039/a805494k","","","0.7107","MoKα","","0.304","0.053","","","0.064","","","","1.254","1.913","1.913","","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7707106","4.781","0.01","2.5873","0.0007","4.934","0.012","90","","119.6","0.3","90","","53.1","0.2","293","2","293","2","","","50000000","","","","","2","P 1 m 1","P -2y","6","","sodium pentazolate","","- N5 Na2 -","- N5 Na2 -","- N5 Na2 -","1","0.5","","Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.","Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7229","7237","10.1039/d1dt00722j","","x-ray","0.29521","synchrotron","","0.0694","0.0566","","","0.1345","0.1397","","","","","","1.109","","","","has coordinates","266100","2021-06-05","19:00:15",""
"8000226","7.095","","5.423","","9.24","","90","","98.73","","90","","351.401","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Ce (H3 O)0.5 (S O4)1.5 (H S O4)0.5","","- Ce H2 O8.5 S2 -","- Ce O8.5 S2 -","- Ce2 O17 S4 -","2","1","","Yu Ranbo; Wang Dan; Ishiwata, S.; Xing Xianran; Chen Yunfa; Saito, T.; Takano, M.","A novel open-framework cerium sulfate hydrate: Synthesis and characterization","Chemistry Letters","2004","2004","","1186","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8000356","6.1071","0.0002","7.0985","0.0002","10.6748","0.0002","90","","95.017","0.002","90","","460.99","0.02","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H19 Co N2 O5 -","- C14 H19 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0527","0.0501","","","0.1293","0.1316","","","","","","1.055","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000357","6.1054","0.0005","7.0878","0.0008","10.6638","0.0006","90","","95.094","0.007","90","","459.64","0.07","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0786","0.068","","","0.1663","0.1719","","","","","","1.116","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000358","6.1006","0.0002","7.0942","0.0002","10.6767","0.0002","90","","95.052","0.002","90","","460.28","0.02","273","","273","","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0536","0.0498","","","0.1254","0.1286","","","","","","1.064","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000359","6.0947","0.0002","7.0901","0.0002","10.6768","0.0002","90","","95.09","0.002","90","","459.55","0.02","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0539","0.0511","","","0.1306","0.1326","","","","","","1.093","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000360","6.0947","0.0001","7.0944","0.0001","10.6845","0.0002","90","","95.116","0.002","90","","460.139","0.013","230","2","230","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","1.5405","","","0.1043","0.1013","","","0.2647","0.2689","","","","","","1.068","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000369","6.0764","0.0007","7.0959","0.0005","10.704","0.004","90","","95.196","0.017","90","","459.63","0.18","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H17 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2213","0.1941","","","0.4343","0.4739","","","","","","2.288","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000370","6.0655","0.0006","7.074","0.0006","10.725","0.011","90","","95.28","0.03","90","","458.2","0.5","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H20 Co N2 O5 -","- C14 H20 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1978","0.171","","","0.3964","0.4412","","","","","","1.793","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000371","6.0509","0.0006","7.0817","0.0007","10.657","0.01","90","","95.19","0.03","90","","454.8","0.4","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1567","0.1323","","","0.3184","0.3363","","","","","","1.396","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000387","6.115","0.005","7.1238","0.0011","10.661","0.019","90","","94.83","0.15","90","","462.8","0.9","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2117","0.1667","","","0.3775","0.4331","","","","","","1.501","","","","has coordinates","236652","2020-10-21","18:00:00",""
"9003103","43.505","","9.251","","7.263","","90","","91.32","","90","","2922.33","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","Antigorite","- H79 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","1","0.5","","Capitani, G.; Mellini, M.","The modulated crystal structure of antigorite: The m = 17 polysome","American Mineralogist","2004","89","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9004514","43.3","","9.23","","7.27","","90","","91.6","","90","","2904.39","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","Antigorite","- H62 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","1","0.5","","Uehara, S.","TEM and XRD study of antigorite superstructures","The Canadian Mineralogist","1998","36","","1595","1605","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9006302","4.7082","","5.5282","","5.0064","","90","","107.835","","90","","124.044","","","","","","","","","","","","","2","P 1 m 1","P -2y","6","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","2","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 19","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9011506","3.581","","3.582","","3.587","","90","","90.04","","90","","46.011","","","","","","","","","","","","Saint Severin meteorite, Charente, France","2","P 1 m 1","P -2y","6","","","Tetrataenite","- Fe0.507 Ni0.493 -","- Fe0.5075 Ni0.4925 -","- Fe2.03 Ni1.97 -","4","2","","Tagai, T.; Takeda, H.","Superstructure of tetrataenite from the Saint Severin meteorite","Zeitschrift fur Kristallographie","1995","210","","14","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:42",""
"9014625","35.02","","9.23","","7.27","","90","","90","","90","","2349.92","","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","","Antigorite-M","- Mg39 O120 Si28 -","- Mg39 O120 Si28 -","- Mg39 O120 Si28 -","1","0.5","","Dodony, I.; Posfai, M.; Buseck, P. R.","Revised structure models for antigorite: An HRTEM study Note: n = 14","American Mineralogist","2002","87","","1443","1457","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""