American Mineralogist Crystal Structure Database

2 matching records for this search.

Robertsite
Download hom/robertsite.pdf
Andrade M B, Morrison S M, Di Domizio A J, Feinglos M N, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=74
Acta Crystallographica E68 (2012) i74-i75
Robertsite, Ca2MnIII3O2(PO4)*3H2O
Locality: Tip Top mine, Custer County, South Dakota, USA
_database_code_amcsd 0019365
17.3400 19.4464 11.2787 90 96.634 90 Aa
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .58062 .03854 .82279  .0137  .0091  .0167  .0148 -.0031 -.0010  .0005
Ca2  .58141 .17089 .36808  .0124  .0095  .0146  .0129  .0000  .0001 -.0005
Ca3  .57448 .37140 .83846  .0179  .0098  .0196  .0236  .0037 -.0009 -.0084
Ca4  .41585 .29044 .23054  .0119  .0088  .0119  .0145  .0011 -.0008 -.0008
Ca5  .41628 .49350 .68142  .0165  .0086  .0254  .0155 -.0027  .0013 -.0090
Ca6  .41167 .15870 .70426  .0227  .0070  .0360  .0246 -.0014  .0000 -.0201
Mn1  .25209 .46201 .50350  .0086  .0078  .0103  .0073 -.0007 -.0009 -.0002
Mn2  .24576 .20322 .29198  .0083  .0077  .0054  .0113 -.0002 -.0012  .0006
Mn3  .24562 .22294 .79390 .00849  .0076  .0058  .0116  .0015 -.0010 -.0019
Mn4  .24453 .04194 .27166 .00814  .0079  .0077  .0084 -.0001 -.0003  .0004
Mn5  .24564 .05107 .76962 .00691  .0075  .0058  .0075  .0007  .0010  .0000
Mn6  .25012 .37523 .27271 .00717  .0065  .0060  .0087  .0008 -.0002 -.0004
Mn7  .25291 .38379 .77123 .00791  .0084  .0066  .0084  .0005 -.0005 -.0013
Mn8  .25065 .29440 .03965  .0095  .0098  .0082  .0092  .0021 -.0038 -.0029
Mn9  .23926 .12877 .53689  .0081  .0075  .0077  .0090 -.0006 -.0002  .0016
P1   .10655 .28822 .18234  .0097  .0081  .0072  .0131 -.0006 -.0024  .0020
P2   .10885 .46008 .64796  .0081  .0069  .0096  .0073 -.0018 -.0011  .0006
P3   .10188 .14070 .68711  .0076  .0061  .0058  .0107  .0007  .0003 -.0006
P4   .39169 .46640 .35583  .0081  .0067  .0086  .0086  .0009 -.0007 -.0009
P5   .38516 .12096 .39767  .0090  .0086  .0060  .0120 -.0002 -.0001  .0007
P6   .39221 .30491 .89494  .0108  .0093  .0103  .0122  .0023 -.0015 -.0047
P7   .20597 .45712 .01054  .0089  .0105  .0081  .0081 -.0008  .0012 -.0008
P8   .28687 .12488 .04287  .0126  .0108  .0156  .0112 -.0001 -.0004 -.0038
P9   .28811 .29252 .54105  .0127  .0098  .0152  .0125 -.0012 -.0005  .0020
O1    .0210  .2875  .1690  .0178   .010   .014   .028  .0019 -.0028  .0032
O2    .1379  .2231  .2543  .0135   .013   .006   .021  .0005 -.0004  .0025
O3    .1394  .3527  .2542  .0135   .012   .006   .022 -.0023  .0002 -.0019
O4    .1381  .2862  .0600  .0132   .009   .016   .014 -.0021 -.0033  .0022
O5    .0237  .4560  .6302  .0152   .010   .017   .019  .0008  .0036 -.0007
O6    .1364  .5263  .7164  .0131   .013   .009   .016  .0003 -.0028  .0007
O7    .1426  .3972  .7196  .0110   .012  .0086  .0120 -.0049 -.0013  .0003
O8    .1411  .4594  .5248  .0135   .009   .018   .012 -.0045 -.0041 -.0030
O9    .0155  .1437  .6814  .0148   .009   .014   .021 -.0013 -.0010 -.0009
O10   .1370  .2045  .7596  .0134   .010   .012   .018  .0022  .0026 -.0027
O11   .1339  .0742  .7528  .0116   .013   .008   .015  .0011  .0040  .0020
O12   .1277  .1421  .5601  .0112   .007   .015  .0115 -.0003 -.0004  .0048
O13   .4788  .4702  .3630  .0145   .006   .016   .022 -.0022  .0015 -.0011
O14   .3614  .3989  .2923  .0090   .004   .011  .0118  .0009 -.0015 -.0052
O15   .3540  .5296  .2856  .0111   .008   .011   .014  .0006 -.0025  .0037
O16   .3643  .4666  .4812  .0124   .013  .0106  .0125  .0006 -.0018  .0000
O17   .4724  .1198  .4171  .0168   .006   .022   .022  .0027  .0000  .0058
O18   .3551  .1868  .3275  .0082   .006  .0079  .0111 -.0001  .0010  .0026
O19   .3541  .0575  .3226  .0088   .008  .0077  .0109 -.0005  .0006 -.0032
O20   .3502  .1198  .5191  .0124   .014   .014  .0096 -.0039  .0027  .0004
O21   .4794  .3056  .9025  .0190   .007   .018   .031  .0003 -.0004 -.0054
O22   .3572  .2402  .8253  .0114   .009   .010   .015 -.0006 -.0016 -.0078
O23   .3593  .3692  .8256  .0117   .010   .012  .0131  .0044  .0000  .0006
O24   .3642  .3047  .0216  .0157   .020   .018  .0088  .0033 -.0033 -.0060
O25   .1216  .4394  .9774  .0171   .016   .015   .021  -.001   .003 -.0009
O26   .2491  .3998  .0859  .0129   .019   .011  .0078  .0009 -.0038 -.0015
O27   .2220  .5242  .0796  .0134   .018   .009   .012 -.0071 -.0014 -.0016
O28   .2486  .4628  .8960  .0152   .019   .016   .011  -.002  .0075 -.0013
O29   .3736  .1122  .0715  .0210   .008   .026   .027  .0065 -.0070  -.009
O30   .2470  .0691  .9604  .0141   .014   .014   .014 -.0024  .0003 -.0057
O31   .2625  .1932  .9804  .0215   .026   .016   .023 -.0009   .002  .0011
O32   .2460  .1243  .1567  .0168   .014   .023   .014  .0051 -.0009 -.0058
O33   .3751  .2796  .5684  .0242   .010   .034   .027   .003  -.005  -.004
O34   .2656  .3556  .4631  .0167   .027   .012  .0115 -.0068  .0014  .0029
O35   .2452  .2315  .4746  .0159   .014   .012   .021 -.0047  .0007  .0015
O36   .2496  .3018  .6558  .0156   .011   .018   .017  .0004  .0024  .0048
O37   .2128  .1183  .3716  .0155   .013   .018   .014 -.0048 -.0029  .0045
O38   .2705  .1411  .7083  .0094   .007  .0105  .0115 -.0017  .0019 -.0034
O39   .2767  .2855  .2121  .0085   .009  .0048  .0112 -.0014 -.0012 -.0004
O40   .2210  .3076  .8749  .0123   .012   .010  .0134  .0045 -.0019 -.0073
O41   .2217  .4622  .3310  .0105   .011  .0119  .0090 -.0010  .0009  .0032
O42   .2790  .4644  .6681  .0144   .008   .027  .0075 -.0011 -.0023 -.0029
Wat1  .4965  .2707  .4139  .0188   .027   .014   .014   .004  -.004 -.0036
Wat2  .4817  .3812  .6588  .0243   .027   .019   .025   .002  -.004 -.0063
Wat3  .4978  .0622  .6478  .0163   .018   .017   .012  -.001 -.0034 -.0009
Wat4  .4916  .1935  .1817  .0175   .022   .015   .014   .003 -.0015 -.0037
Wat5  .5066  .4716  .8740  .0161   .019   .014   .016   .001  .0055 -.0038
Wat6  .4881  .1223  .8902  .0232   .032   .021   .017   .001   .004 -.0049
Wat7  .4218  .4531  .0558  .0209   .026   .014   .024  -.005   .008 -.0063
Wat8  .5761  .3807  .4894  .0324   .038   .028   .030  -.011   .004  -.008
Wat9  .5819  .2115  .0122  .0358   .048   .026   .036  -.018   .014  -.010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Barylite
Download hom/barylite.pdf
Di Domizio A J, Downs R T, Yang H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=68&spage=78
Acta Crystallographica E68 (2012) i78-i79
Redetermination of clinobarylite, BaBe2Si2O7
Note: polytype barylite-1O
Locality: Yukspor Mountain, Khibiny Massif, Kola Peninsula, Russia
_database_code_amcsd 0019463
11.6491 4.9175 4.6746 90 90 90 Pmn2_1
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ba       .5 .20316  .5905 .00932 .01102 .00872 .00823       0      0 .00004
Be   .75108  .1693  .0849  .0070  .0052  .0071  .0087  -.0001 -.0020  .0017
Si   .62826 .67528  .0692 .00526 .00460 .00420  .0070 -.00035  .0000 -.0001
O1   .63895  .3560  .1367  .0073  .0077  .0055  .0088   .0007  .0022  .0011
O2   .77699  .1340 -.2702  .0066  .0079  .0051  .0067  -.0008  .0007  .0003
O3       .5  .7764  .1793  .0077  .0045  .0082  .0103       0      0 -.0024
O4   .63272  .7295 -.2716  .0082  .0075  .0109  .0064  -.0016 -.0007  .0000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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