|
Robertsite |
 |
Andrade M B, Morrison S M, Di Domizio A J, Feinglos M N, Downs R T |
 |
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) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 