|
Kingstonite |
| |
Stanley C J, Criddle A J, Spratt J, Roberts A C, Szymanski J T, Welch M D |
 |
Mineralogical Magazine 69 (2005) 447-453 |
|
Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia |
|
Locality: Bir Bir River, Yubdo District, Wallaga Province, Ethiopia |
|
_database_code_amcsd 0014575 |
|
10.4616 10.7527 6.2648 90 109.000 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rh1 .36578 .14279 .95211 .75 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Ir1 .36578 .14279 .95211 .25 .0055 .0064 .0066 -.0004 .0024 -.0005 |
|
Rh2 .64989 0 .44360 .90 .0049 .0061 .0070 0 .0021 0 |
|
Ir2 .64989 0 .44360 .10 .0049 .0061 .0070 0 .0021 0 |
|
Rh3 0 0 0 .64 .0039 .0057 .0042 0 .0015 0 |
|
Ir3 0 0 0 .36 .0039 .0057 .0042 0 .0015 0 |
|
Rh4 0 .16031 .5 .69 .0048 .0047 .0050 0 .0013 0 |
|
Ir4 0 .16031 .5 .31 .0048 .0047 .0050 0 .0013 0 |
|
S1 .41625 0 .23612 .0055 .0084 .0051 0 -.0006 0 |
|
S2 .87342 .15705 .11257 .0048 .0062 .0075 .0018 .0019 .0006 |
|
S3 .11639 0 .39114 .0119 .0085 .0056 0 .0046 0 |
|
S4 .14923 .28955 .40093 .0071 .0078 .0056 -.0033 .0023 .0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mavlyanovite |
 |
Yusupov R G, Stanley C J, Welch M D, Spratt J, Cressey G, Rumsey M S, Seltmann R, Igamberdiev E |
| |
Mineralogical Magazine 73 (2009) 43-50 |
|
Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan |
|
Locality: Chatkal Ridge, Uzbekistan |
|
_database_code_amcsd 0014586 |
|
6.8971 6.8971 4.8075 90 90 120 P6_3/mcm |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 1/3 2/3 0 .0053 .0060 .0060 .0038 .0030 0 0 |
|
Mn2 .23459 0 .25 .0073 .0071 .0054 .0089 .0027 0 0 |
|
Si .59779 0 .25 .0066 .0057 .0046 .0091 .0023 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kerimasite |
| |
Zaitsev A N, Williams C T, Britvin S N, Kuznetsova I V, Spratt J, Petrov S V, Keller J |
| |
Mineralogical Magazine 74 (2010) 803-820 |
|
Kerimasite, Ca3Zr2(Fe3+2Si)O12, a new garnet from carbonatites of Kerimasi volcano |
|
and surrounding explosion craters, northern Tanzania |
|
Locality: Kerimasi volcano, Tanzania |
|
_database_code_amcsd 0018324 |
|
12.5512 12.5512 12.5512 90 90 90 Ia3d |
|
atom x y z occ Uiso |
|
CaX .125 0 .25 .96 .0048 |
|
LaX .125 0 .25 .03 .0048 |
|
MnX .125 0 .25 .01 .0048 |
|
ZrY 0 0 0 .73 .0093 |
|
NbY 0 0 0 .22 .0093 |
|
MgY 0 0 0 .05 .0093 |
|
FeZ .375 0 .25 .44 .013 |
|
AlZ .375 0 .25 .28 .013 |
|
SiZ .375 0 .25 .25 .013 |
|
TiZ .375 0 .25 .03 .013 |
|
O .0330 .0509 .6519 .0116 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Natropharmacoalumite |
| |
Rumsey M S, Mills S J, Spratt J |
| |
Mineralogical Magazine 74 (2010) 929-936 |
|
Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite |
|
supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite |
|
Locality: Maria Josefa Gold mine, Rodalquilar, Andalusia region, Spain |
|
_database_code_amcsd 0017883 |
|
7.7280 7.7280 7.7280 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .5 .052 .5 .095 .031 |
|
K .5 .052 .5 .037 .031 |
|
As1 .5 0 0 .0122 .0096 .0135 .0135 0 0 0 |
|
Al1 .1391 .1391 .1391 .0114 .0114 .0114 .0114 .0016 .0016 .0016 |
|
O1 .1266 .1266 .3758 .0148 .0171 .0171 .010 -.007 .0015 .0015 |
|
O2 .8858 .8858 .8858 .013 .013 .013 .013 .002 .002 .002 |
|
Wat3 .5 .122 .5 .482 .030 |
|
O4 .685 .685 .685 .053 .047 |
|
H34 .685 .685 .685 .158 .047 |
|
H2 .8259 .8259 .8259 .016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bariopharmacoalumite |
| |
Mills S J, Rumsey M S, Favreau G, Spratt J, Raudsepp M, Dini M |
| |
Mineralogical Magazine 75 (2011) 135-144 |
|
Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile |
|
Locality: Cap Garonne, France |
|
_database_code_amcsd 0018374 |
|
7.772 7.772 7.772 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .5 0 0 .0315 .0258 .0344 .0344 0 0 0 |
|
Al1 .1421 .1421 .1421 .78 .028 .028 .028 .028 -.0039 -.0039 -.0039 |
|
Fe1 .1421 .1421 .1421 .22 .028 .028 .028 .028 -.0039 -.0039 -.0039 |
|
O1 .1259 .3809 .1259 .038 .036 .036 .043 -.004 .004 .004 |
|
O2 .8881 .8881 .8881 .026 |
|
H2 .829 .829 .829 .031 |
|
Ba1 0 .5 .5 .17 .049 |
|
O3 .5 .120 .5 .19 .017 |
|
O4 .686 .686 .686 .44 .051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bariopharmacoalumite |
| |
Mills S J, Rumsey M S, Favreau G, Spratt J, Raudsepp M, Dini M |
| |
Mineralogical Magazine 75 (2011) 135-144 |
|
Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile |
|
Locality: Mina Grande, Chile |
|
_database_code_amcsd 0018375 |
|
7.850 7.850 7.850 90 90 90 P-43m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As1 .5 0 0 .0237 .019 .0259 .0259 0 0 0 |
|
Al1 .1427 .1427 .1427 .58 .0115 .0115 .0115 .0115 -.0017 -.0017 -.0017 |
|
Fe1 .1427 .1427 .1427 .42 .0115 .0115 .0115 .0115 -.0017 -.0017 -.0017 |
|
O1 .127 .393 .127 .040 .047 .026 .047 .001 .009 .001 |
|
O2 .8878 .8878 .8878 .023 .023 .023 .023 -.006 -.006 -.006 |
|
H2 .829 .829 .829 .028 |
|
Ba1 0 .5 .5 .17 .031 |
|
O3 .5 .137 .5 .2 .02 |
|
O4 .690 .690 .690 .2 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cerianite-(Ce) |
|
Zaitsev A N, Chakhmouradian A R, Siidra O I, Spratt J, Williams C T, |
|
Stanley C J, Petrov S V, Britvin S N, Polyakova E A |
| |
Mineralogical Magazine 75 (2011) 2813-2822 |
|
Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the |
|
Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania |
|
Locality: Gregory Rift, northern Tanzania |
|
_database_code_amcsd 0018569 |
|
5.4203 5.4203 5.4203 90 90 90 Fm-3m |
|
atom x y z occ Uiso |
|
CeA 0 0 .5 .62 .0093 |
|
YA 0 0 .5 .20 .0093 |
|
NdA 0 0 .5 .06 .0093 |
|
LaA 0 0 .5 .03 .0093 |
|
PrA 0 0 .5 .01 .0093 |
|
SmA 0 0 .5 .01 .0093 |
|
GdA 0 0 .5 .02 .0093 |
|
DyA 0 0 .5 .02 .0093 |
|
ErA 0 0 .5 .01 .0093 |
|
YbA 0 0 .5 .02 .0093 |
|
OX .25 .25 .25 .84 .0128 |
|
FX .25 .25 .25 .12 .0128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rickturnerite |
| |
Rumsey M S, Krivovichev S V, Siidra O I, Kirk C A, Stanley C J, Spratt J |
| |
Mineralogical Magazine 76 (2012) 59-73 |
|
Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral |
|
Locality: Torr Works (Merehead) quarry, Cranmore, Somerset, United Kingdom |
|
_database_code_amcsd 0018663 |
|
5.8034 11.3574 12.9393 90 90 90 Pmm2 |
|
atom x y z occ Uiso |
|
Pb1 .5 .7746 .60117 .0168 |
|
Pb2 0 .7669 .1011 .0317 |
|
Pb3 0 .7762 .8001 .0246 |
|
Pb4 0 0 .6033 .0191 |
|
Pb5 .5 0 .8000 .0175 |
|
Pb6 .5 .7673 .2988 .0468 |
|
Pb7 .5 0 .1031 .0265 |
|
Pb8 0 0 .2991 .0355 |
|
Pb9 .5 .5 .0015 .8 .0387 |
|
Pb10 .5 .5 .072 .1 .022 |
|
Pb11 0 .5 .4064 .78 .0288 |
|
Pb12 0 .5 .4913 .22 .02 |
|
Pb13 0 .5 .007 .1 .02 |
|
Cl1 0 .750 .4604 .049 |
|
Cl2 .5 .7498 .9618 .016 |
|
Cl3 0 0 .9692 .012 |
|
Cl4 .5 0 .4624 .036 |
|
Mg .752 .5 .700 .024 |
|
O1 .743 .8756 .706 .018 |
|
O2 .754 .8687 .201 .035 |
|
OH1 0 .371 .670 .034 |
|
OH2 .5 .387 .718 .034 |
|
OH3 .802 .5 .848 .034 |
|
OH4 .311 .5 .528 .034 |
|
OH5 .5 .626 .179 .51 .01 |
|
OH6 .782 .577 .210 .25 .01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schieffelinite |
|
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018765 |
|
9.6581 19.5833 10.5027 90 90 90 C222_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .5 .73650 .25 .0318 .0276 .0239 .0440 .000 .0057 .000 |
|
Pb2 .85073 .65799 .37439 .02931 .0267 .0246 .0366 -.0003 .0054 -.0003 |
|
Pb3 .78502 .84797 .49090 .03594 .0603 .0240 .0235 -.0046 -.0084 .0030 |
|
Te1 .5 .55838 .25 .0198 .0258 .0174 .0164 .000 .0006 .000 |
|
Te2 .84780 .79060 .15087 .0179 .0164 .0193 .0179 -.0008 -.0018 .0005 |
|
S .0640 .5036 .4652 .25 .044 |
|
O1 .6317 .6271 .2089 .024 .027 .022 .023 -.005 -.001 .012 |
|
OH2 .5713 .5540 .4240 .029 .039 .027 .022 -.004 -.006 -.001 |
|
OH3 .3724 .4866 .2976 .039 .043 .034 .041 -.020 -.003 -.010 |
|
O4 .9163 .7005 .1304 .023 .013 .025 .030 -.003 .000 .002 |
|
O5 .8153 .7347 .5610 .021 .015 .029 .019 -.005 .004 .003 |
|
O6 .7653 .7637 .3071 .023 .029 .026 .015 .004 -.005 .001 |
|
O7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
OH7 .5580 .6813 .4976 .5 .024 .026 .029 .018 .000 -.002 -.003 |
|
O8 0 .8279 .25 .029 .020 .021 .046 .000 -.022 .000 |
|
OH9 .7676 .8815 .1632 .026 .021 .022 .037 .004 -.002 .004 |
|
O10 .214 .5 .5 .5 .067 |
|
O11 .488 .9372 .045 .5 .19 |
|
O12 .046 .526 .329 .25 .10 |
|
Wat1 -.114 .5 .5 .5 .14 |
|
Wat2 .482 .8803 .179 .5 .055 |
|
Wat3 .097 .534 .360 .5 .112 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Chromschieffelinite |
| |
Kampf A R, Mills S J, Housley R M, Rumsey M S, Spratt J |
| |
American Mineralogist 97 (2012) 212-219 |
|
Lead-tellurium oxysalts from Otto Mountain near Baker, California: |
|
VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, |
|
the chromate analog of schieffelinite |
|
Locality: Otto Mountain near Baker, California, USA |
|
_database_code_amcsd 0018766 |
|
9.6646 19.4962 10.5101 90 90 90 C222_1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .5000 .73669 .2500 .02636 .0210 .0188 .0393 .000 .0048 .000 |
|
Pb2 .85091 .65778 .37381 .02338 .0188 .0200 .0314 -.0010 .0048 .0018 |
|
Pb3 .78519 .84795 .49042 .03141 .0551 .0189 .0202 -.0062 -.0102 .0037 |
|
Te1 .5000 .55833 .2500 .0149 .0183 .0134 .0131 .000 -.0005 .000 |
|
Te2 .84797 .79074 .15086 .01206 .0096 .0139 .0127 -.0005 -.0015 .0003 |
|
Cr .0584 .5030 .4555 .25 .050 |
|
O1 .6286 .6271 .2077 .0170 .020 .011 .020 .006 .003 .000 |
|
OH2 .5707 .5544 .4228 .028 .032 .029 .023 -.003 -.010 -.002 |
|
OH3 .3728 .4860 .2998 .034 .053 .013 .036 -.014 -.001 -.002 |
|
O4 .9161 .6999 .1306 .0181 .010 .014 .030 .005 -.001 .004 |
|
O5 .8150 .7336 .5598 .0152 .026 .005 .014 .003 .008 .003 |
|
O6 .7655 .7640 .3088 .0137 .010 .020 .011 .000 .004 .004 |
|
O7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
OH7 .5579 .6818 .4978 .5 .023 .023 .023 .022 -.002 -.011 -.002 |
|
O8 .0000 .8272 .2500 .021 .008 .021 .033 .000 -.011 .000 |
|
OH9 .7667 .8820 .1633 .0204 .016 .022 .023 .003 -.004 .004 |
|
O10 .221 .5000 .5000 .5 .072 |
|
O11 .516 .9325 .050 .5 .130 |
|
O12 .054 .538 .313 .25 .033 |
|
Wat1 -.139 .5000 .5000 .5 .14 |
|
Wat2 .480 .8803 .176 .5 .078 |
|
Wat3 .124 .532 .386 .5 .102 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Matulaite |
|
Kampf A R, Mills S J, Rumsey M S, Spratt J, Favreau G |
| |
Mineralogical Magazine 76 (2012) 517-534 |
|
The crystal structure determination and redefinition of |
|
matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O |
|
Locality: Bachman mine, Hellertown, Northampton County, Pennsylvania, USA |
|
_database_code_amcsd 0018885 |
|
10.604 16.608 20.647 90 98.848 90 P2_1/n |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe .5012 .84428 .24566 .71 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
|
Al .5012 .84428 .24566 .29 .0372 .030 .025 .059 -.0006 .0158 -.0004 |
|
Al1 .3876 .0873 .3597 .0383 .026 .028 .062 -.007 .011 -.002 |
|
Al2 .2319 .0902 .2028 .0353 .024 .033 .050 -.007 .009 .004 |
|
Al3 .1005 .9439 .1514 .0448 .040 .038 .060 -.001 .017 .004 |
|
Al4 -.0023 .8432 .2441 .0442 .036 .030 .071 .000 .021 .001 |
|
Al5 .8992 .7481 .3413 .0419 .036 .031 .059 -.002 .008 -.010 |
|
Al6 .7292 .0974 .2053 .0334 .028 .020 .056 -.002 .019 .001 |
|
Al7 .6080 .5915 .1391 .0387 .027 .029 .065 .001 .021 .000 |
|
P1 .3633 .6817 .1786 .0410 .031 .039 .057 .000 .021 .002 |
|
P2 .6361 .0028 .3210 .0445 .033 .031 .072 .001 .015 .000 |
|
P3 .2521 .9354 .2955 .0438 .038 .041 .055 -.008 .015 -.002 |
|
P4 .7467 .7492 .1964 .0397 .034 .035 .053 -.003 .016 -.006 |
|
P5 .6318 .7209 .3690 .0436 .031 .039 .062 .001 .012 .002 |
|
P6 .3725 .9736 .1266 .0434 .036 .038 .060 .002 .019 -.002 |
|
O1 .3686 .7705 .1970 .041 .044 .001 .077 .007 .004 .003 |
|
O2 .4709 .6614 .1386 .044 .035 .029 .069 -.008 .016 -.005 |
|
O3 .3784 .6267 .2398 .038 .037 .047 .032 -.011 .013 .006 |
|
O4 .2331 .6645 .1354 .037 .030 .027 .055 -.002 .013 -.002 |
|
O5 .6341 .9159 .2977 .037 .029 .028 .055 -.006 .006 -.002 |
|
O6 .7643 .0173 .3651 .040 .033 .031 .054 .005 .004 .003 |
|
O7 .6205 .0618 .2631 .044 .037 .039 .057 .012 .007 .015 |
|
O8 .5281 .0186 .3613 .045 .018 .037 .080 .001 .014 .012 |
|
O9 .3699 .8847 .2948 .044 .015 .056 .067 .006 .021 .001 |
|
O10 .2708 .9990 .3492 .040 .038 .033 .050 -.004 .012 -.003 |
|
O11 .1342 .8855 .3046 .045 .040 .050 .048 -.009 .017 -.007 |
|
O12 .2200 .9788 .2285 .039 .034 .027 .061 -.012 .023 -.005 |
|
O13 .8613 .7966 .1844 .048 .038 .031 .080 -.014 .020 .009 |
|
O14 .6300 .8041 .1957 .047 .047 .024 .078 .007 .031 -.003 |
|
O15 .7227 .6816 .1450 .046 .035 .040 .067 -.014 .016 -.004 |
|
O16 .7807 .7094 .2660 .044 .045 .045 .042 -.008 .005 .003 |
|
O17 .5406 .7605 .3166 .041 .028 .017 .078 .003 .011 .006 |
|
O18 .7611 .7638 .3867 .042 .036 .019 .073 .000 .019 -.006 |
|
O19 .6514 .6320 .3513 .041 .045 .000 .081 .002 .026 .001 |
|
Oh20 .5710 .7251 .4327 .043 .032 .036 .068 -.001 .025 -.002 |
|
H20 .497 .706 .442 .052 |
|
O21 .4658 .9275 .1770 .048 .048 .031 .065 .004 .010 -.012 |
|
O22 .3512 .0605 .1473 .044 .043 .034 .060 .011 .017 -.001 |
|
O23 .2430 .9307 .1086 .045 .029 .046 .064 .001 .018 -.001 |
|
Oh24 .4341 .9799 .0634 .057 .053 .049 .074 .010 .028 -.011 |
|
H24 .497 .952 .050 .068 |
|
Oh25 .3766 .1063 .2680 .040 .039 .010 .071 -.010 .010 .003 |
|
H25 .405 .156 .263 .048 |
|
Oh26 .0935 .0554 .1400 .045 .053 .035 .051 -.010 .019 -.007 |
|
H26 .105 .052 .098 .054 |
|
Oh27 -.0349 .9436 .2045 .049 .019 .032 .103 .006 .027 .042 |
|
H27 -.115 .926 .207 .059 |
|
Oh28 1.0297 .7445 .2869 .041 .023 .034 .063 .004 -.008 .001 |
|
H28 1.079 .704 .306 .050 |
|
Oh29 .6264 .5779 .2317 .043 .031 .021 .082 .004 .023 -.001 |
|
H29 .559 .606 .239 .052 |
|
Oh30 -.1037 .8554 .3109 .042 .045 .022 .061 -.001 .013 -.001 |
|
H30 -.165 .893 .296 .050 |
|
Oh31 .9029 .6380 .3564 .045 .038 .031 .068 -.011 .014 .008 |
|
H31 .975 .609 .363 .054 |
|
Oh32 .1051 .8351 .1783 .037 .021 .045 .053 -.004 .030 .001 |
|
H32 .176 .809 .169 .044 |
|
OW33 .5830 .5976 .0447 .049 .044 .042 .060 -.006 .008 -.009 |
|
H33A .636 .626 .022 .059 |
|
H33B .529 .571 .014 .059 |
|
OW34 .4867 .5005 .1236 .048 .043 .033 .070 -.004 .018 .013 |
|
H34A .409 .478 .127 .057 |
|
H34B .545 .471 .150 .057 |
|
OW35 .5149 .1740 .3832 .057 .039 .040 .096 -.012 .028 -.025 |
|
H35A .594 .169 .373 .068 |
|
H35B .494 .226 .381 .068 |
|
OW36 .2286 .2019 .1676 .050 .051 .045 .057 .013 .012 .002 |
|
H36A .150 .207 .145 .061 |
|
H36B .247 .149 .171 .061 |
|
OW37 1.0154 .7719 .4166 .056 .060 .036 .073 -.003 .012 .006 |
|
H37A 1.068 .814 .425 .068 |
|
H37B 1.017 .745 .454 .068 |
|
OW38 -.0100 .9234 .0741 .060 .064 .032 .082 .003 .005 -.002 |
|
H38A -.031 .968 .051 .072 |
|
H38B -.007 .882 .048 .072 |
|
OW39 .3895 .0707 .4530 .045 .049 .028 .059 -.005 .012 -.015 |
|
H39A .450 .083 .487 .054 |
|
H39B .400 .018 .444 .054 |
|
OW40 .7240 .9903 .1641 .050 .044 .021 .090 .004 .024 -.006 |
|
H40A .656 .961 .173 .060 |
|
H40B .776 .955 .148 .060 |
|
OW41 .7157 .7145 .5412 .073 .079 .060 .087 .001 .035 .002 |
|
H41A .693 .736 .578 .088 |
|
H41B .797 .730 .540 .088 |
|
OW42 .8197 .9077 .4752 .066 .044 .078 .086 .007 .036 .013 |
|
H42A .736 .912 .478 .080 |
|
H42B .826 .915 .432 .080 |
|
OW43 .5305 .1139 .5613 .067 .047 .078 .077 .009 .017 .007 |
|
H43A .538 .099 .604 .080 |
|
H43B .611 .126 .554 .080 |
|
OW44 .7394 .6636 -.0272 .081 .068 .088 .088 .019 .018 .016 |
|
H44A .741 .671 -.070 .097 |
|
H44B .77 .614 -.016 .097 |
|
OW45 .9833 .7215 .5366 .098 .124 .057 .121 -.030 .038 -.015 |
|
H45A 1.047 .685 .545 .118 |
|
H45B .911 .695 .522 .118 |
|
OW46 -.1771 .0363 .0331 .085 .086 .072 .093 .004 .000 .012 |
|
H46A -.261 .038 .039 .102 |
|
H46B -.176 .062 -.007 .102 |
|
OW47 -.1552 .8153 -.0063 .092 .080 .075 .111 -.020 -.010 -.019 |
|
H47A -.19 .863 .004 .110 |
|
H47B -.13 .788 .031 .110 |
|
OW48 .352 .0974 -.0218 .113 .123 .089 .126 .029 .020 .003 |
|
H48A .34 .074 -.062 .135 |
|
H48B .38 .057 .008 .135 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
