|
Surkhobite |
| |
Rozenberg K A, Rastsvetaeva R K, Verin I A |
| |
Crystallography Reports 48 (2003) 384-389 |
|
Crystal structure of surkhobite - new mineral from |
|
the family of titanosilicate micas |
|
Locality: Darai-Piez alkali massif, central Tajikistan |
|
_database_code_amcsd 0012384 |
|
10.723 13.826 20.791 90 95.00 90 C2 |
|
atom x y z occ Uiso |
|
Na1 0 .523 .5 .8 .034 |
|
Ca1 0 .523 .5 .2 .034 |
|
Na2 0 .023 .5 .8 .031 |
|
Ca2 0 .023 .5 .2 .031 |
|
Ca .2503 .776 -.0006 .0254 |
|
K 0 .5658 0 .7 .0384 |
|
Ba 0 .5658 0 .3 .0384 |
|
Ba1 0 .0265 0 .0146 |
|
Ba2 .7501 .7725 .5005 .0360 |
|
Mn1 .8742 .0244 .2544 .0133 |
|
Mn2 .8769 .5248 .2559 .0132 |
|
Mn3 .1225 .4000 .2503 .7 .0148 |
|
Na3 .1225 .4000 .2503 .3 .0148 |
|
Mn4 .1229 .6512 .2497 .0148 |
|
Fe1 .8751 .2737 .2442 .0119 |
|
Fe2 .8745 .7771 .2444 .0120 |
|
Fe3 .1249 .9043 .2471 .0162 |
|
Fe4 .1238 .1512 .2478 .0116 |
|
Ti1 .7333 .0427 .3997 .0284 |
|
Ti2 .7330 .5446 .3981 .0216 |
|
Ti3 .0167 .2570 .1009 .6 .0162 |
|
Zr3 .0167 .2570 .1009 .4 .0162 |
|
Ti4 .0160 .7960 .1005 .6 .0175 |
|
Nb4 .0160 .7960 .1005 .4 .0175 |
|
Si1 .9793 .1647 .3806 .0118 |
|
Si2 .9810 .6660 .3802 .0134 |
|
Si3 .2574 .4187 .1195 .0115 |
|
Si4 .2852 .9181 .1195 .0097 |
|
Si5 .2819 .1350 .1199 .0128 |
|
Si6 .2553 .6349 .1188 .0120 |
|
Si7 .9796 .3838 .3810 .0144 |
|
Si8 .9793 .8849 .3797 .0160 |
|
O1 .9693 .3924 .3062 .024 |
|
O2 .2789 .4054 .1981 .013 |
|
O3 .9631 .1543 .3042 .016 |
|
O4 .2780 .6487 .1977 .013 |
|
O5 .2888 .1495 .1988 .013 |
|
O6 .1404 .9009 .0868 .005 |
|
O7 .3887 .4006 .0843 .006 |
|
O8 .9638 .6565 .3025 .013 |
|
O9 .2887 .9044 .1979 .013 |
|
O10 .9622 .8972 .3035 .017 |
|
O11 .3786 .2045 .0842 .008 |
|
O12 .7193 .026 .3143 .030 |
|
O13 .0290 .7885 .1870 .014 |
|
O14 .1492 .7043 .0867 .009 |
|
O15 .0271 .2629 .1892 .015 |
|
O16 .7204 .522 .3127 .030 |
|
O17 .3248 .0214 .1016 .005 |
|
O18 .862 .643 .4122 .048 |
|
O19 .6036 .946 .4124 .054 |
|
O20 .1068 .646 .4156 .057 |
|
O21 .8639 .913 .4142 .065 |
|
O22 .3776 .8466 .0878 .011 |
|
O23 .870 .112 .4163 .087 |
|
O24 .1081 .146 .4137 .048 |
|
O25 .6027 .447 .4116 .048 |
|
O26 .1507 .3449 .0860 .013 |
|
O27 .1390 .1482 .08 .013 |
|
O28 .8715 .441 .4121 .062 |
|
O29 .2092 .5253 .0995 .011 |
|
O30 .0408 .275 .3971 .061 |
|
O31 .0416 .774 .4032 .060 |
|
O32 .3867 .6480 .0894 .013 |
|
OH1 .0381 .524 .2076 .023 |
|
OH2 0 .2462 0 .014 |
|
OH3 0 .8019 0 .0076 |
|
F1 .0349 .023 .2052 .036 |
|
F2 .213 .7778 .2947 .032 |
|
F3 .7499 .0086 .5008 .025 |
|
F4 .7102 .7751 .2921 .019 |
|
|
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|
| |
|
Golyshevite |
| |
Rozenberg K A, Rastsvetaeva R K, Chukanov N V, Verin I A |
| |
Crystallography Reports 50 (2005) 539-543 |
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Crystal structure of golyshevite |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012391 |
|
14.231 14.231 29.984 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaA1a .1094 .2188 .1557 .80 .0248 |
|
NaA1b .078 .156 .1734 .20 .015 |
|
NaA2a .5658 .4342 .1754 .89 .0308 |
|
NaA2b .549 .098 .179 .11 .039 |
|
CaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3a .2348 .4696 -.0460 .35 .0297 |
|
NaA3b .228 .114 .2769 .29 .023 |
|
CaA4a .4528 .2264 .0504 .80 .0261 |
|
NaA4b .491 .245 .036 .10 .023 |
|
KA4b .491 .245 .036 .10 .023 |
|
Na5 .191 .595 .152 .32 .043 |
|
Zr .3324 .1662 .1668 .0180 |
|
Ca .0010 .2608 .0001 .983 .0119 |
|
Ce .0010 .2608 .0001 .017 .0119 |
|
Fe1 .5195 .4805 -.0021 .56 .0166 |
|
Fe2 .0492 .5246 .0033 .17 .0137 |
|
Mn2 .0492 .5246 .0033 .10 .0137 |
|
NbM3a 1/3 2/3 .2890 .18 .022 |
|
AlM3a 1/3 2/3 .2890 .08 .022 |
|
SiM3b 1/3 2/3 .2464 .50 .016 |
|
NbM4a 1/3 2/3 .0410 .39 .0194 |
|
SiM4b 1/3 2/3 .092 .16 .017 |
|
Si1 .5258 .2629 .2502 .011 |
|
Si2 -.0055 .6038 .0970 .0134 |
|
Si3 .2065 .4130 .0770 .018 |
|
Si4 .0872 .5436 .2589 .017 |
|
Si5 .0585 .3282 .2361 .0133 |
|
Si6 .1400 .0700 .0817 .013 |
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O1 .4816 .2408 .1998 .031 |
|
O2 .2575 .0309 .2089 .034 |
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O3 .3991 .3006 .1263 .029 |
|
O4 .6061 .3939 .2554 .020 |
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O5 .4322 .2161 .2875 .016 |
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O6 .4128 .0347 .0446 .028 |
|
O7 .0987 .3761 .1076 .026 |
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O8 .0180 .5090 .1149 .029 |
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O9 .2734 .5468 .0729 .044 |
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O10 .1828 .3656 .0278 .019 |
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O11 .0324 .5162 .3061 .023 |
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O12 .1760 .3520 .2179 .026 |
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O13 .0471 .3028 .2886 .024 |
|
O14 .3889 .4302 .2277 .028 |
|
O15 .3937 .6063 .2535 .034 |
|
O16 .0628 .1256 .0771 .026 |
|
O17 .1912 .0956 .1302 .028 |
|
O18 .2250 .1125 .0428 .021 |
|
C1 2/3 1/3 .108 .55 .026 |
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C2 2/3 1/3 .083 .45 .022 |
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Oc1 .612 .388 .108 .55 .053 |
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Oc2 .6141 .3859 .0869 .45 .067 |
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OH1 .265 .530 .324 .33 .030 |
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OH2 .212 .606 .002 .39 .029 |
|
OH3 1/3 2/3 .145 .16 .064 |
|
OH4 1/3 2/3 .192 .50 .065 |
|
Cl 0 0 .2412 .29 .028 |
|
Wat1 0 0 .263 .24 .034 |
|
Wat2 0 0 .293 .23 .029 |
|
Wat3 0 0 .179 .24 .038 |
|
|
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|
| |
|
Jinshajiangite |
 |
Rastsvetaeva R K, Chukanov N V, Rozenberg K |
| |
Crystallography Reports 53 (2008) 553-556 |
|
A crystal structure of jinshajiangite from the Norra Karr complex (Sweden) |
|
Locality: Norra Karr alkaline complex, Sweden |
|
_database_code_amcsd 0012410 |
|
5.350 6.909 20.96 90 99.83 90 P2/m |
|
atom x y z occ Biso |
|
BaBa 0 .5 .5 .8 1.8 |
|
KBa 0 .5 .5 .2 1.8 |
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Na .5 0 .5 3.8 |
|
KK 0 0 0 .6 2.3 |
|
BaK 0 0 0 .4 2.3 |
|
CaCa .5 .5 0 .76 2.5 |
|
BaCa .5 .5 0 .24 2.5 |
|
Si1 .5809 .2246 .1182 1.4 |
|
Si2 .424 .292 .3792 1.3 |
|
Ti1 .924 0 .3966 1.4 |
|
TiTi2 .0609 .5 .1013 .8 2.0 |
|
NbTi2 .0609 .5 .1013 .1 2.0 |
|
ZrTi2 .0609 .5 .1013 .1 2.0 |
|
FeFe1 .0010 .2542 .2491 .75 1.4 |
|
MnFe1 .0010 .2542 .2491 .25 1.4 |
|
FeFe2 .5053 .5 .2463 .75 1.1 |
|
MgFe2 .5053 .5 .2463 .25 1.1 |
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FeFe3 .5126 0 .2570 .75 1.0 |
|
MnFe3 .5126 0 .2570 .25 1.0 |
|
O1 .633 .260 .2004 .5 |
|
OH2 .143 0 .2053 2.1 |
|
OH3 .5 .5 .5 3.2 |
|
OH4 .884 .5 .2900 1.2 |
|
O5 .368 .284 .3052 1.3 |
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O6 .862 0 .312 2.3 |
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O7 .319 .262 .0829 1.6 |
|
OH8 0 .5 0 1.4 |
|
O9 .806 .299 .0879 1.1 |
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O10 .488 0 .1023 2.5 |
|
O11 .317 .5 .4032 1.7 |
|
O12 .688 .154 .4091 4.9 |
|
O13 .241 .160 .415 5.3 |
|
OH14 0 0 .5 5.9 |
|
OH15 .5 0 0 5.6 |
|
F .131 .5 .1878 1.8 |
|
|
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|
| |
|
Zanazziite |
|
Rastsvetaeva R K, Rozenberg K A, Chukanov N V, Mockel S |
| |
Crystallography Reports 54 (2009) 568-571 |
|
The crystal structure of an iron-rich variety of zanazziite belonging to |
|
heteropolyhedral framework roscherite-group beryllophosphates |
|
Locality: Sapucaia mine, Minas Gerais, Brazil |
|
_database_code_amcsd 0012416 |
|
15.876 11.860 6.607 90 95.490 90 C2/c |
|
atom x y z occ Biso |
|
CaA 0 .2594 .25 1.38 |
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MgA1 0 0 0 .65 .46 |
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FeA1 0 0 0 .35 .46 |
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MgB2 .1714 .1630 .9958 .48 1.25 |
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FeB2 .1714 .1630 .9958 .31 1.25 |
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AlB .1714 .1630 .9958 .13 1.25 |
|
MnB .1714 .1630 .9958 .09 1.25 |
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Be .3327 .1774 .3032 1.2 |
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P1 .1877 .1162 .4776 .89 |
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P2 0 .2726 .75 1.01 |
|
O1 .3557 .4981 .5003 1.4 |
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O2 .2825 .0996 .4499 1.3 |
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O3 .1445 .1826 .2969 1.2 |
|
O4 .3196 .3155 .3247 1.1 |
|
O5 .4583 .3002 .0747 1.6 |
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O6 .4343 .1510 .3416 1.4 |
|
Oh1 .2998 .1642 .0635 1.3 |
|
Wat1 0 .0403 .25 .5 1.6 |
|
OH2 0 .0403 .25 .5 1.6 |
|
OW2 .0933 .4197 .2196 3.7 |
|
H1 .077 .484 .18 3.0 |
|
H2 .175 .377 .98 3.0 |
|
H3 .124 .421 .32 3.0 |
|
|
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|
| |
|
Cancrinite |
|
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
| |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
Note: Enraf Nonius diffractometer |
|
_database_code_amcsd 0012418 |
|
12.688 12.688 5.189 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Na1 2/3 1/3 .1273 .71 2.9 |
|
K .1092 .2215 .298 .06 4.3 |
|
Ca 2/3 1/3 .1273 .03 2.9 |
|
Si .3302 .4133 .7506 1.35 |
|
Al .0762 .4141 .7513 1.34 |
|
O1 .2031 .4042 .6740 2.3 |
|
O2 .1191 .5657 .7278 2.9 |
|
O3 .0253 .3536 .0552 2.4 |
|
O4 .3220 .3608 .0385 2.4 |
|
Na2 .1311 .2635 .2824 .46 3.0 |
|
Na3 .1092 .2215 .298 .22 4.3 |
|
Na4 .1473 .3011 .284 .26 3.1 |
|
C1 0 0 .287 .20 2.8 |
|
O5 .115 .057 .285 .20 3.3 |
|
C2 0 0 .427 .30 2.4 |
|
O6 .090 .095 .491 .30 4.0 |
|
Wat .300 .608 .188 .25 3.8 |
|
|
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|
| |
|
Cancrinite |
|
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
| |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Kovdor massif, Kola Peninsula, Russia |
|
Note: Bruker SMART CCD diffractometer |
|
_database_code_amcsd 0012419 |
|
12.688 12.688 5.189 90 90 120 P6_3 |
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atom x y z occ Biso |
|
Si .3301 .4131 .7506 1.1 |
|
Al .0762 .4142 .7512 1.1 |
|
O1 .2034 .4045 .6747 2.0 |
|
O2 .1191 .5653 .7293 2.8 |
|
O3 .0260 .3538 .0541 2.1 |
|
O4 .3226 .3608 .0375 2.1 |
|
Na1 2/3 1/3 .1254 .73 2.5 |
|
Ca 2/3 1/3 .1254 .04 2.5 |
|
Na2 .1326 .2674 .2883 .52 2.4 |
|
Na3 .1102 .2202 .287 .21 4.7 |
|
K .1102 .2202 .287 .05 4.7 |
|
Na4 .1539 .3134 .281 .22 2.6 |
|
C1 0 0 .297 .20 3.2 |
|
O5 .116 .060 .303 .20 5.5 |
|
C2 0 0 .512 .30 2.4 |
|
O6 .102 .090 .524 .30 5.2 |
|
Wat .306 .620 .190 .25 4.0 |
|
|
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|
| |
|
Davyne |
|
Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
| |
Crystallography Reports 54 (2009) 793-799 |
|
Crystal structures of oxalate-bearing cancrinite with an unusual |
|
arrangement of CO3 groups and sulfate-rich davyne |
|
Locality: Sar-e Sang mine, Badakhshan, Afghanistan |
|
_database_code_amcsd 0012420 |
|
12.773 12.773 5.334 90 90 120 P6_3 |
|
atom x y z occ Uiso |
|
Na1 .1579 .3108 .268 .50 .025 |
|
Na2 .1163 .2292 .267 .37 .049 |
|
Ca 2/3 1/3 .2042 .011 |
|
K .1163 .2292 .267 .13 .049 |
|
Si .0811 .4114 .7446 .0098 |
|
Al .3385 .4102 .7440 .0091 |
|
O1 .2128 .4253 .704 .019 |
|
O2 .1079 .5490 .735 .019 |
|
O3 .0234 .3449 .0073 .019 |
|
O4 .3275 .3358 .023 .016 |
|
Cl 1/3 2/3 .2079 .085 |
|
S 0 0 .265 .50 .011 |
|
O5 .069 .110 .14 .25 .057 |
|
O6 .031 .109 .38 .25 .045 |
|
O7 0 0 .51 .50 .069 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Alsakharovite-Zn |
| |
Rozenberg K A, Rastsvetaeva R K, Pekov I V, Chukanov N V |
| |
Doklady Chemistry 383 (2002) 110-113 |
|
New Zn-rich representative of the labuntsovite group: |
|
crystal structure and microtwinning |
|
Locality: Lovozero alkaline massif, Kola Peninsula, Russia |
|
Note: x-coordinate of O15 was changed |
|
_database_code_amcsd 0018493 |
|
14.491 13.911 7.822 90 117.59 90 Cm |
|
atom x y z occ Biso |
|
Ti(1) -.0002 .2316 .5002 .7 1.82 |
|
Nb(1) -.0002 .2316 .5002 .3 1.82 |
|
Ti(2) .2514 .2498 .4956 .7 1.92 |
|
Nb(2) .2514 .2498 .4956 .3 1.92 |
|
Si(1) .2114 .1082 .8006 1.6 |
|
Si(2) .7965 .1104 .1970 1.2 |
|
Si(3) .3201 .1099 .2438 1.7 |
|
Si(4) .6888 .1111 .7510 1.1 |
|
Zn .0012 0 .4978 .90 1.97 |
|
Fe .0012 0 .4978 .05 1.97 |
|
Mn .0012 0 .4978 .05 1.97 |
|
Na .923 .2367 .011 .5 3.0 |
|
Ca .923 .2367 .011 .5 3.0 |
|
Sr .5067 .1799 .003 .7 3.65 |
|
Na .5067 .1799 .003 .3 3.65 |
|
K .5757 0 .278 .5 5.8 |
|
Wat .5757 0 .278 .5 5.8 |
|
H .5757 0 .278 .5 5.8 |
|
Wat .429 0 .737 .47 10.2 |
|
H .429 0 .737 .47 10.2 |
|
O(1) .2418 .1290 .022 3.1 |
|
O(2) .7750 .1289 .979 1.6 |
|
O(3) .2730 .1789 .734 1.9 |
|
O(4) .7303 .1839 .265 1.9 |
|
O(5) .1020 .2317 .385 .65 1.2 |
|
OH(5) .1020 .2317 .385 .35 1.2 |
|
O(6) .905 .2293 .602 .65 3.1 |
|
OH(6) .905 .2293 .602 .35 3.1 |
|
O(7) .2478 0 .788 2.4 |
|
O(8) .7579 0 .207 1.8 |
|
O(9) .4201 .1763 .305 1.5 |
|
O(10) .5873 .1844 .696 3.2 |
|
O(11) .2685 .1264 .382 2.1 |
|
O(12) .7450 .1303 .619 1.8 |
|
O(13) .366 0 .274 3.0 |
|
O(14) .6485 0 .733 1.4 |
|
O(15) .0859 .1204 .668 1.4 |
|
O(16) .9194 .1144 .335 2.5 |
|
Wat(2) .015 .135 .002 7.3 |
|
Wat(3) .103 0 .349 7.0 |
|
Wat(4) .9077 0 .655 .9 4.3 |
|
Ba(4) .9077 0 .655 .1 4.3 |
|
|
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|
| |
|
Canasite |
|
Rastsvetaeva R K, Rozenberg K A, Khomyakov A P, Rozhdestvenskaya I V |
| |
Doklady Chemistry 391 (2003) 177-180 |
|
Crystal structure of F-canasite |
|
Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012509 |
|
18.846 7.242 12.650 90 111.84 90 Cm |
|
atom x y z occ Uiso |
|
K1 .1570 0 .4988 .028 |
|
K2 .3422 .5 .4997 .030 |
|
K3a -.0016 .5 .505 .76 .045 |
|
K3b .511 0 .558 .24 .07 |
|
Ca1 .2456 .5 -.0032 .85 .0130 |
|
Mn1 .2456 .5 -.0032 .15 .0130 |
|
Ca2 .1608 .2475 .1552 .875 .0066 |
|
Mn2 .1608 .2475 .1552 .125 .0066 |
|
Ca3 .0002 .5 -.0005 .0161 |
|
NaM .3321 .2490 .8418 .5 .0127 |
|
CaM .3321 .2490 .8418 .5 .0127 |
|
Na1 0 0 0 .0051 |
|
Na2 .2498 0 .0047 .010 |
|
Si1 .0173 .2382 .2474 .0223 |
|
Si2 .1433 .2286 .7520 .0175 |
|
Si3 .1361 .5 .3679 .003 |
|
Si4 .2016 .5 .6309 .0017 |
|
Si5 .3543 .2871 .2490 .0082 |
|
Si6 .2931 0 .3671 .017 |
|
Si7 .3599 0 .6318 .015 |
|
Si8 .4798 .2869 .7513 .010 |
|
O1 .0299 .253 .1332 .010 |
|
O2 .0807 .322 .3546 .009 |
|
O3 .2009 0 .2826 .025 |
|
O4 .1979 .5 .4977 .015 |
|
O5 .1517 .3142 .6409 .005 |
|
O6 .0606 .2881 .7529 .015 |
|
O7 .2835 .257 .1302 .004 |
|
O8 .2160 .246 .8606 .029 |
|
O9 .4307 .228 .2384 .028 |
|
O10 .3435 .175 .3563 .028 |
|
O11 .3281 0 .4969 .023 |
|
O12 .3069 0 .7136 .019 |
|
O13 .4151 .1787 .6400 .021 |
|
O14 .4634 .247 .8550 .018 |
|
O15 .1774 .5 .2806 .014 |
|
O16 .2858 .5 .711 .023 |
|
O17 .0273 0 .2865 .006 |
|
O18 .1316 0 .7089 .005 |
|
O19 .3655 .5 .2892 .026 |
|
O20 .4697 .5 .7067 .023 |
|
F1 .1324 0 .0286 .014 |
|
F2 .3674 0 .9669 .025 |
|
F .3590 .5 .958 .75 .028 |
|
OH .3590 .5 .958 .25 .028 |
|
OH1 .1273 .5 .0242 .024 |
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Wat -.003 0 .502 .026 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
