|
Nepheline |
 |
Simmons W B, Peacor D R |
 |
American Mineralogist 57 (1972) 1711-1719 |
|
Refinement of the crystal structure of a volcanic nepheline |
|
_database_code_amcsd 0000296 |
|
10.003 10.003 8.381 90 90 120 P6_3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .9972 .4432 .9913 .0082 .0050 .0054 .0032 .0004 .0003 |
|
K 0 0 .9893 .0102 .0102 .0097 .0051 0 0 |
|
Al1 .3333 .6667 .1877 .51 .0036 .0036 .0035 .0018 0 0 |
|
Si1 .3333 .6667 .1877 .49 .0036 .0036 .0035 .0018 0 0 |
|
Si2 .3333 .6667 .7990 .58 .0060 .0060 .0040 .0030 0 0 |
|
Al2 .3333 .6667 .7990 .42 .0060 .0060 .0040 .0030 0 0 |
|
Si3 .0933 .3344 .3090 .84 .0021 .0023 .0044 .0009 -.0009 -.0003 |
|
Al3 .0933 .3344 .3090 .16 .0021 .0023 .0044 .0009 -.0009 -.0003 |
|
Al4 .0934 .3318 .6824 .73 .0027 .0033 .0027 .0016 -.0012 -.0005 |
|
Si4 .0934 .3318 .6824 .27 .0027 .0033 .0027 .0016 -.0012 -.0005 |
|
O1 .3327 .7024 .9846 .333 .0113 .0079 .0105 .0081 -.0083 -.0068 |
|
O2 .0269 .3168 .4921 .0062 .0120 .0044 .0061 -.0021 -.0018 |
|
O3 .1713 .5235 .7210 .0066 .0057 .0183 .0035 .0001 .0022 |
|
O4 .1647 .5108 .2393 .0022 .0022 .0103 .0005 -.0004 .0016 |
|
O5 .2258 .2873 .3099 .0037 .0069 .0029 .0038 -.0005 .0000 |
|
O6 .2229 .2657 .6892 .0063 .0044 .0082 .0038 -.0011 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Galliskiite |
| |
Kampf A R, Colombo F, Simmons W B, Falster A U, Nizamoff J W |
| |
American Mineralogist 95 (2010) 392-396 |
|
Galliskiite, Ca4Al2(PO4)2F8*5H2O, a new mineral from the |
|
Gigante granitic pegmatite, Cordoba province, Argentina |
|
Locality: Gigante granitic pegmatite, Punilla department, |
|
Cordoba province, Argentina |
|
_database_code_amcsd 0005032 |
|
6.1933 9.871 13.580 89.716 75.303 88.683 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .8349 .3009 .1467 .012 .018 .008 .009 .000 -.005 .001 |
|
Ca2 .9077 .2197 .6326 .010 .012 .009 .009 .001 -.003 -.001 |
|
Ca3 .9295 .4020 .3952 .010 .013 .009 .008 .000 -.003 .000 |
|
Ca4 .0304 -.1146 .1019 .009 .011 .008 .008 .000 -.003 .000 |
|
Al1 .8197 .4466 .8777 .006 .006 .006 .006 -.001 -.002 .001 |
|
Al2 .8282 .0602 .3749 .007 .008 .007 .006 .001 -.002 .000 |
|
P1 .7073 -.1122 .5813 .009 .009 .008 .009 .000 -.002 .001 |
|
P2 .2979 .3809 .9217 .008 .008 .008 .008 .000 -.002 -.001 |
|
O1 .4662 -.0688 .6330 .012 .011 .014 .013 .001 -.003 -.002 |
|
O2 .8644 -.0280 .6279 .010 .011 .010 .011 .001 -.003 -.001 |
|
O3 .7449 -.2654 .5967 .012 .011 .011 .015 -.002 -.005 .002 |
|
O4 .7656 -.0880 .4650 .010 .010 .009 .009 -.002 -.002 .001 |
|
O5 .2966 .2314 .8929 .012 .013 .008 .015 .000 -.004 -.002 |
|
O6 .5240 .4441 .8746 .012 .011 .013 .013 -.001 -.003 .001 |
|
O7 .1273 .4618 .8777 .009 .013 .009 .010 .001 -.004 .000 |
|
O8 .2315 .3934 .0397 .010 .012 .008 .010 .003 -.005 -.002 |
|
F1 .9084 .1977 .2859 .013 .017 .012 .011 -.002 -.005 .004 |
|
F2 .7928 .1869 .4755 .012 .016 .009 .011 -.001 -.003 -.002 |
|
F3 .9303 .0990 .0714 .017 .032 .011 .010 .006 -.006 -.001 |
|
F4 .8895 .5611 .7708 .012 .014 .013 .008 .001 .000 .004 |
|
F5 .8421 .4283 .5697 .014 .016 .013 .013 -.003 -.005 .001 |
|
F6 .8873 .2998 .7936 .012 .018 .009 .010 .003 -.004 -.003 |
|
F7 .8888 -.0656 .2728 .011 .014 .011 .010 .000 -.001 -.003 |
|
F8 .7862 .3252 .9815 .011 .015 .010 .009 -.001 -.004 .003 |
|
OW1 .5149 .2123 .6906 .017 .015 .018 .016 -.003 -.002 -.003 |
|
OW2 .2562 .3703 .5910 .020 .025 .016 .021 .005 -.010 -.007 |
|
OW3 .4542 .2256 .1561 .021 .022 .021 .020 .002 -.005 .002 |
|
OW4 .6224 .0450 .8914 .033 .017 .020 .065 .000 -.019 -.001 |
|
OW5 .6076 .4038 .3090 .018 .016 .014 .022 -.001 -.003 .000 |
|
H1A .460 .212 .759 .050 |
|
H1B .479 .130 .672 .050 |
|
H2A .343 .328 .626 .050 |
|
H2B .308 .354 .526 .050 |
|
H3A .389 .233 .218 .050 |
|
H3B .404 .274 .113 .050 |
|
H4A .581 -.038 .887 .050 |
|
H4B .503 .100 .903 .050 |
|
H5A .554 .476 .287 .050 |
|
H5B .490 .352 .340 .050 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zigrasite |
| |
Hawthorne F C, Simmons W B |
| |
Mineralogical Magazine 74 (2010) 567-575 |
|
The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, |
|
a heteropolyhedral framework structure |
|
Locality: Newry, Oxford County, Maine, USA |
|
_database_code_amcsd 0014605 |
|
5.3049 9.3372 9.6282 97.348 91.534 90.512 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zr .25362 .74773 .49040 .00794 .00537 .00899 .00943 -.00084 -.00038 .00079 |
|
P(1) .26500 .45008 .68108 .0129 .0104 .0144 .0137 -.0010 -.0005 .0016 |
|
P(2) .23232 .06111 .32252 .0123 .0102 .0132 .0133 -.0013 -.0003 .0014 |
|
Mg(1) 0 0 0 .0185 .0126 .0290 .0139 -.0030 -.0010 .0030 |
|
Mg(2) .5 .5 0 .0199 .0179 .0242 .0168 -.0002 -.0017 .0004 |
|
O(1) .3139 .5903 .6181 .0234 .0225 .0209 .0280 -.0004 .0006 .0073 |
|
O(2) .2402 .4846 .8389 .0197 .0173 .0272 .0140 .0020 -.0005 .0010 |
|
O(3) .4845 .3458 .6475 .0195 .0165 .0217 .0205 .0055 .0025 .0026 |
|
O(4) .0220 .3765 .6176 .0228 .0159 .0254 .0254 -.0062 -.0035 -.0014 |
|
O(5) .0048 .1546 .3686 .0219 .0169 .0233 .0248 .0035 .0040 -.0003 |
|
O(6) .2539 .0557 .1641 .0188 .0136 .0286 .0145 -.0032 -.0009 .0043 |
|
O(7) .4720 .1273 .3959 .0201 .0162 .0222 .0213 -.0056 -.0032 .0021 |
|
O(8) .1909 -.0929 .3600 .0200 .0214 .0144 .0247 -.0035 -.0042 .0054 |
|
O(9) .2710 .8701 .8935 .0247 .0160 .0356 .0218 -.0026 .0006 .0014 |
|
O(10) .1377 .1631 .8947 .0310 .0298 .0305 .0333 -.0092 -.0013 .0064 |
|
O(11) .2305 .3942 .1149 .0275 .0221 .0312 .0300 .0012 .0039 .0056 |
|
O(12) .3467 .6878 .0819 .0313 .0354 .0309 .0270 .0095 -.0031 .0018 |
|
H(1) .436 .912 .877 .084 |
|
H(2) .203 .819 .805 .084 |
|
H(3) .135 .260 .947 .084 |
|
H(4) .112 .156 .793 .084 |
|
H(5) .075 .449 .133 .084 |
|
H(6) .273 .360 .205 .084 |
|
H(7) .320 .764 .022 .084 |
|
H(8) .420 .717 .176 .084 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Falsterite |
| |
Kampf A R, Mills S J, Simmons W B, Nizamoff J W, Whitmore R W |
| |
American Mineralogist 97 (2012) 496-502 |
|
Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary |
|
phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire |
|
Locality: Palermo No. 1 pegmatite, North Groton, New Hampshire |
|
_database_code_amcsd 0018881 |
|
6.3868 21.260 15.365 90 90.564 90 P2_1/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .5368 .3734 .6401 .051 .051 .056 .046 -.004 .001 .000 |
|
Mg .293 .0428 .5181 .464 .041 .023 .054 .047 .010 .018 .014 |
|
Zn .293 .0428 .5181 .036 .041 .023 .054 .047 .010 .018 .014 |
|
Mn .0451 .3486 .3910 .0533 .045 .066 .049 .000 .008 -.004 |
|
Fe1 .2933 .24592 .2653 .0454 .043 .051 .042 .004 .004 -.004 |
|
Fe2 .7899 .2456 .2650 .0473 .047 .050 .045 .000 .002 .001 |
|
Zn1 .2931 .18160 .5218 .0561 .045 .082 .042 .005 .002 -.002 |
|
Zn2 .7949 .18224 .5227 .0498 .048 .053 .048 .003 .001 -.003 |
|
P1 .0410 .2979 .5927 .052 .036 .063 .059 .001 .001 -.004 |
|
P2 .5452 .2914 .4394 .047 .045 .049 .048 .002 .020 .003 |
|
P3 .0352 .1305 .3659 .049 .055 .052 .041 -.005 .017 .003 |
|
P4 .5490 .1327 .6749 .052 .063 .050 .044 .000 -.014 .008 |
|
O1 .035 .3514 .5282 .048 .055 .029 .058 .012 .011 .030 |
|
O2 .238 .1993 .1496 .046 .027 .058 .052 -.012 .000 .022 |
|
O3 .839 .2045 .1485 .045 .033 .053 .048 -.017 .005 .002 |
|
O4 .043 .2323 .5431 .037 .034 .047 .030 -.009 .013 -.006 |
|
O5 .555 .3510 .4912 .049 .018 .073 .057 -.002 -.004 .003 |
|
O6 .742 .2857 .3839 .039 .020 .075 .023 .000 -.004 .016 |
|
O7 .543 .2318 .4964 .050 .030 .050 .069 .006 -.017 -.011 |
|
O8 .338 .2870 .3810 .052 .015 .058 .081 .005 -.005 -.006 |
|
O9 .837 .1323 .4209 .056 .08 .058 .028 -.018 -.008 .008 |
|
O10 .032 .0753 .3023 .071 .10 .047 .061 -.005 -.034 -.008 |
|
O11 .045 .1944 .3197 .052 .042 .050 .063 .000 .012 .032 |
|
O12 .232 .1246 .4285 .066 .073 .071 .054 .008 -.015 -.009 |
|
O13 .373 .1265 .6114 .073 .041 .075 .10 -.004 -.030 -.003 |
|
O14 .544 .0826 .7455 .052 .043 .054 .060 .018 .013 -.013 |
|
O15 .541 .2005 .7142 .067 .09 .063 .045 .015 .022 -.003 |
|
O16 .762 .1294 .6212 .064 .09 .064 .043 .029 .017 .017 |
|
OH17 .539 .1846 .2777 .043 .045 .027 .056 .003 -.013 -.001 |
|
OH18 .038 .3076 .2585 .050 .073 .047 .029 .015 .000 -.005 |
|
Wat19 .247 .4291 .3607 .061 .103 .033 .048 -.005 .028 .015 |
|
Wat20 .786 .4237 .3902 .058 .040 .077 .055 -.008 -.007 -.011 |
|
Wat21 .425 .4516 .7457 .078 .091 .051 .093 -.006 .027 .006 |
|
Wat22 .347 .4546 .5593 .073 .085 .052 .083 .009 -.007 .012 |
|
Wat23 .854 .4405 .6465 .063 .054 .060 .077 -.006 .029 .000 |
|
Wat24 .426 .9660 .5684 .090 .070 .063 .14 .004 .031 -.016 |
|
Wat25 .048 .0363 .596 .5 .052 .03 .04 .08 .00 -.03 .01 |
|
Wat26 .146 .9872 .423 .5 .054 .09 .06 .01 .03 .01 -.02 |
|
|
| 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.
