# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T16:50:46+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Mineralogical and Petrological Sciences') AND volume = 113 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
"1549039","5.73982","0.00006","11.50723","0.00013","8.39608","0.00009","90","","90","","90","","554.556","0.01","","","","","","","","","","","","3","I m m a","-I 2b 2","74","Zn2SiO4 modified spinel","","Zn2SiO4 wadsleyite phase","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","0.5","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273021","2022-02-18","04:14:06",""
"1549040","8.35436","0.00007","8.35436","0.00007","8.35436","0.00007","90","","90","","90","","583.095","0.008","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","Zn2GeO4 cubic spinel","","Zn2GeO4 cubic spinel","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge8 O32 Zn16 -","8","0.0416667","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273022","2022-02-18","04:17:12",""
"1549041","5.93787","0.00002","5.93787","0.00002","8.25629","0.00004","90","","90","","90","","291.103","0.002","","","","","","","","","","","","3","P 43 2 2","P 4cw 2c","95","Zn2GeO4 tetragonal spinel","","Zn2GeO4 tetragonal spinel","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge4 O16 Zn8 -","4","0.5","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273023","2022-02-18","04:18:45",""
"1549763","9.384","0.002","9.384","0.002","6.8842","0.0006","90","","90","","120","","525","0.16","","","","","","","","","","","","6","P 63/m","-P 6c","176","fluorapatite","","fluorapatite","- Ca4.83 F Mn0.15 O12 P3 Sr0.02 -","- Ca4.841 F Mn0.144 O12 P3 Sr0.015 -","- Ca9.682 F2 Mn0.288 O24 P6 Sr0.03 -","2","0.166667","","Arima, H.; Kida, Y.; Mikouchi, T.; Sugiyama, K.","The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda, near Governador Valadares, Minas Gerais, Brazil","Journal of Mineralogical and Petrological Sciences","2018","113","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","209378","2020-10-21","18:00:00",""
"1549764","6.7103","0.0003","11.1619","0.0005","7.3741","0.0003","90","","94.919","0.002","90","","550.28","0.04","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","prosopite","","prosopite","- Al2 Ca0.96 F4.28 H3.72 O3.72 Sr0.04 -","- Al2 Ca0.964 F4 H4 O4 Sr0.036 -","- Al8 Ca3.856 F16 H16 O16 Sr0.144 -","4","0.5","","Hongu, H.; Yoshiasa, A.; Teshima, A.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R.","Crystal structure refinement and chemical formula of prosopite, CaAl2F4[(OH)4-xFx] x = 0.0-1.0","Journal of Mineralogical and Petrological Sciences","2018","113","","152","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","209379","2020-10-21","18:00:00",""
"1550016","8.7802","","4.9087","","10.9191","","90","","90.33","","90","","470.599","","","","0","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","AlPO4 moganite alpha phase","","AlPO4 moganite alpha phase","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1.5","","Kanzaki, M.","Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : alpha phase model optimized by DFT","Journal of Mineralogical and Petrological Sciences","2018","113","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","273024","2022-02-18","04:20:37",""
"1550017","9.0682","","4.8904","","10.9793","","90","","90","","90","","486.9","","","","1","","","","","","","","","3","P m a a","-P 2a 2","49","AlPO4 moganite beta phase","","AlPO4 moganite beta phase","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.75","","Kanzaki, M.","Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : beta phase model optimized by DFT","Journal of Mineralogical and Petrological Sciences","2018","113","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","273025","2022-02-18","04:22:10",""
"1551294","3.7921","0.0006","3.7921","0.0006","3.7921","0.0006","90","","90","","90","","54.53","0.015","","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 at 100 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 100 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215779","2020-10-21","18:00:00",""
"1551295","3.7922","0.0005","3.7922","0.0005","3.7922","0.0005","90","","90","","90","","54.535","0.012","","","123","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 123 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 123 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215780","2020-10-21","18:00:00",""
"1551296","3.793","0.0004","3.793","0.0004","3.793","0.0004","90","","90","","90","","54.569","0.01","","","173","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 at 173 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 173 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215781","2020-10-21","18:00:00",""
"1551297","3.7946","0.0003","3.7946","0.0003","3.7946","0.0003","90","","90","","90","","54.638","0.007","","","223","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 223 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 223 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215782","2020-10-21","18:00:00",""
"1551298","3.7964","0.0003","3.7964","0.0003","3.7964","0.0003","90","","90","","90","","54.716","0.007","","","273","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 273 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 273 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215783","2020-10-21","18:00:00",""
"1551299","3.7974","0.0003","3.7974","0.0003","3.7974","0.0003","90","","90","","90","","54.759","0.007","","","298","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 298 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 298 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215784","2020-10-21","18:00:00",""
"1551300","3.7988","0.0004","3.7988","0.0004","3.7988","0.0004","90","","90","","90","","54.82","0.01","","","323","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 323 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 323 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215786","2020-10-21","18:00:00",""
"1551360","8.8931","0.0002","6.0617","0.0001","19.3222","0.0004","90","","97.283","0.002","90","","1033.2","0.04","","","298","","","","100","","","","","9","A 1 2/m 1","-A 2y","12","poppiite","","poppiite from Komatsu mine","- Al0.51 Ca2 Fe0.29 H3.36 Mg0.19 Mn0.17 O14 Si3 V1.84 -","- Al0.236 Ca2 H2 Mg0.145 O14 Si3 V2.619 -","- Al0.944 Ca8 H8 Mg0.58 O56 Si12 V10.476 -","4","0.5","","Nagashima, M.; Matsumoto, T.; Yamada, T.; Takizawa, M.; Momma, K.","Crystal chemistry of poppiite, V-analogue of pumpellyite, from the Komatsu mine, Saitama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2019","113","","251","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","215878","2020-10-21","18:00:00",""
"1551361","8.8782","0.0003","6.0428","0.0002","19.2938","0.0007","90","","97.343","0.003","90","","1026.61","0.06","","","298","","","","100","","","","","9","A 1 2/m 1","-A 2y","12","poppiite","","poppiite from Gambatesa mine","- Al0.28 Ca2 Fe0.04 H3.41 Mg0.19 Mn0.22 O14 Si3 V2.27 -","- Al0.44 Ca2 H2.5 Mg0.244 O14 Si3 V2.316 -","- Al1.76 Ca8 H10 Mg0.976 O56 Si12 V9.264 -","4","0.5","","Nagashima, M.; Matsumoto, T.; Yamada, T.; Takizawa, M.; Momma, K.","Crystal chemistry of poppiite, V-analogue of pumpellyite, from the Komatsu mine, Saitama Prefecture, Japan (x and z of O9 site are incorrect)","Journal of Mineralogical and Petrological Sciences","2019","113","","251","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","215879","2020-10-21","18:00:00",""