American Mineralogist Crystal Structure Database

2 matching records for this search.

Dickinsonite-(KMnNa)
Download hom/dickinsonitekmnna.pdf
Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F
Download am/vol66/AM66_1034.pdf
American Mineralogist 66 (1981) 1034-1049
The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12:
crystal structure and crystal chemistry
sample BR
Locality: Branchville, Connecticut, USA
_database_code_amcsd 0000848
24.940 10.131 16.722 90 105.60 90 A2/a
atom      x      y      z occ
Al        0     .5      0
Fe1  .47856 .88682 .22519
Fe2  .26879 .00654 .21154
Fe3  .13944 .01293 .10620
Fe4  .40442 .24825 .02195
Fe5  .40102 .74524 .03375
Fe6  .35182 .69839 .20674
Fe7  .34356 .29531 .22190
Ca   .48542 .22242 .23362  .5
Na1  .12070 .51223 .12679
Na2       0      0      0  .5
Na3     .25  .1600      0  .5
Na4  .45639 .93751 .21059  .5
K       .25  .4960      0
P1    .3693  .0090  .1168  .5
P2    .3388  .9987  .0847  .5
P3   .42283 .46775 .12855
P4   .03808 .24996 .12487
P5   .04757 .76632 .10221
P6   .21185 .72319 .12967
P7   .20441 .29526 .14445
O1    .3680  .0624  .0281
O2    .3643 -.1369  .1139
O3    .3235  .0762  .1455  .5
O4    .4246  .0410  .1799  .5
O5    .2713  .9691  .0277  .5
O6    .3473  .0797  .1542  .5
O7    .4438  .4455  .0496
O8    .3907  .5974  .1190
O9    .3854  .3460  .1281
O10   .4702  .4652  .2086
O11   .0733  .1649  .0818
O12   .0370  .3924  .0944
O13  -.0208  .1911  .1070
O14   .0622  .2476  .2206
O15   .0485  .6431  .0467
O16   .0789  .8710  .0646
O17  -.0114  .8122  .0976
O18   .0773  .7359  .1929
O19   .1713  .6816  .0473
O20   .2705  .6807  .1302
O21   .2091  .8742  .1403
O22   .1936  .6563  .2018
O23   .1665  .3376  .0602
O24   .2629  .3503  .1545
O25   .2058  .1438  .1494
O26   .1813  .3499  .2155
F     .1354  .0009  .2309
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View JMOL 3-D Structure (permalink)
 
Dickinsonite-(KMnNa)
Download hom/dickinsonitekmnna.pdf
Camara F, Oberti R, Chopin C, Medenbach O
Download am/vol91/AM91_1249.pdf
American Mineralogist 91 (2006) 1249-1259
The arrojadite enigma: I. A new formula and
a new model for the arrojadite structure
Sample: Branchville, Connecticut, USA
_database_code_amcsd 0004192
16.6900 10.1013 24.8752 90 105.616 90 Cc
atom        x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
KA1     .0042  .5102 -.2399 .25  5.1  .0030  .0102  .0042  .0014  .0031  .0014
NaA1    .0042  .5102 -.2399 .25  5.1  .0030  .0102  .0042  .0014  .0031  .0014
KA1x   -.0556  .4931 -.3034 .25  3.6  .0036  .0096  .0010 -.0016 -.0004 -.0004
NaA1x  -.0556  .4931 -.3034 .25  3.6  .0036  .0096  .0010 -.0016 -.0004 -.0004
Na2     .1333  .5114  .1206      5.0  .0086  .0041  .0009  .0010 -.0017 -.0003
Na1    -.0030  .0014  .0018     2.38  .0027  .0036  .0009  .0006 -.0005  .0001
Ca     -.2337  .2176  .0193 .51 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Na     -.2337  .2176  .0193 .42 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Sr     -.2337  .2176  .0193 .05 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Pb     -.2337  .2176  .0193 .01 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
Ba     -.2337  .2176  .0193 .01 1.12  .0010  .0029  .0006 -.0006  .0004 -.0004
NaB2   -.1254  .4886 -.1195  .2 1.96  .0029  .0033  .0005  .0007 -.0002  .0000
MnB1   -.2932  .5581 -.0420  .6 3.18  .0018  .0100  .0015  .0016  .0003  .0020
FeB1   -.2932  .5581 -.0420  .2 3.18  .0018  .0100  .0015  .0016  .0003  .0020
NaB1   -.2932  .5581 -.0420  .2 3.18  .0018  .0100  .0015  .0016  .0003  .0020
NaA2   -.0213  .1802  .2319  .5  3.0
NaA2x'  -.005   .130   .260  .5  4.0
Na3    -.5170  .6799 -.2640 .30  2.0
Na3x    -.483   .652  -.226 .30  6.0
MnM1   -.2291  .8826  .0218  .7  .73  .0004  .0021  .0004  .0001  .0002  .0001
LiM1   -.2291  .8826  .0218  .3  .73  .0004  .0021  .0004  .0001  .0002  .0001
MnM2a  -.2960  .4921 -.2274  .7 1.28  .0017  .0021  .0004  .0001 -.0001 -.0001
FeM2a  -.2960  .4921 -.2274  .3 1.28  .0017  .0021  .0004  .0001 -.0001 -.0001
MnM2b   .2839  .5029  .2338  .7 1.10  .0010  .0028  .0004  .0001  .0000 -.0001
FeM2b   .2839  .5029  .2338  .3 1.10  .0010  .0028  .0004  .0001  .0000 -.0001
MnM3a  -.1110 -.0130 -.1381  .7  .75  .0007  .0019  .0003  .0000  .0001 -.0001
FeM3a  -.1110 -.0130 -.1381  .3  .75  .0007  .0019  .0003  .0000  .0001 -.0001
MnM3b   .1024 1.0105  .1409  .7  .83  .0007  .0021  .0004  .0000  .0000  .0000
FeM3b   .1024 1.0105  .1409  .3  .83  .0007  .0021  .0004  .0000  .0000  .0000
MnM4a  -.0224  .2503  .0984  .7  .87  .0006  .0022  .0004  .0002  .0001  .0001
FeM4a  -.0224  .2503  .0984  .3  .87  .0006  .0022  .0004  .0002  .0001  .0001
MnM4b   .0207  .7529 -.0941  .7  .97  .0008  .0026  .0005  .0002  .0002  .0001
FeM4b   .0207  .7529 -.0941  .3  .97  .0008  .0026  .0005  .0002  .0002  .0001
MnM5a   .0297  .2514 -.0969  .7  .73  .0005  .0023  .0003  .0000  .0000  .0000
FeM5a   .0297  .2514 -.0969  .3  .73  .0005  .0023  .0003  .0000  .0000  .0000
MnM5b  -.0371  .7395  .1006  .7 1.04  .0007  .0034  .0004  .0000  .0001  .0001
FeM5b  -.0371  .7395  .1006  .3 1.04  .0007  .0034  .0004  .0000  .0001  .0001
MnM6a  -.2096  .6948  .1498  .7  .91  .0008  .0029  .0003  .0000  .0001  .0000
FeM6a  -.2096  .6948  .1498  .3  .91  .0008  .0029  .0003  .0000  .0001  .0000
MnM6b  -.2964  .8012 -.1463  .7 1.19  .0012  .0035  .0004  .0002  .0001 -.0001
FeM6b  -.2964  .8012 -.1463  .3 1.19  .0012  .0035  .0004  .0002  .0001 -.0001
MnM7a  -.2832  .2108 -.1525  .7  .90  .0007  .0027  .0004 -.0002  .0001  .0001
FeM7a  -.2832  .2108 -.1525  .3  .90  .0007  .0027  .0004 -.0002  .0001  .0001
MnM7b  -.2260  .7013 -.3403  .7 1.18  .0010  .0040  .0003  .0006  .0001 -.0001
FeM7b  -.2260  .7013 -.3403  .3 1.18  .0010  .0040  .0003  .0006  .0001 -.0001
Al     -.0043  .4983  .0017      .54  .0004  .0017  .0002  .0000  .0001  .0000
P1     -.1196 1.0072  .1330      .64  .0005  .0020  .0003 -.0002  .0001 -.0001
P1x    -.4175  .5017 -.1591     1.27  .0014  .0028  .0007 -.0005  .0006 -.0002
P2a    -.1337  .4621  .0772      .77  .0006  .0021  .0004 -.0001  .0002  .0000
P2b     .1245  .5298 -.0753      .66  .0004  .0021  .0003  .0001  .0001  .0000
P3a    -.1278  .7478 -.0363      .64  .0005  .0020  .0003  .0000  .0001  .0000
P3b    -.3796  .7472  .0395      .72  .0005  .0020  .0003  .0000  .0001  .0001
P4a    -.1072  .2348 -.0449      .67  .0005  .0018  .0003 -.0001  .0000  .0000
P4b     .0998  .7654  .0486      .73  .0006  .0020  .0003  .0000  .0001 -.0001
P5a     .1281  .7207  .2140      .82  .0007  .0023  .0003  .0000  .0000  .0001
P5b    -.1321  .2795 -.2091      .73  .0007  .0017  .0003  .0001  .0000  .0000
P6a     .1432  .2942  .2073      .89  .0008  .0022  .0003  .0002 -.0001 -.0001
P6b    -.1475  .7043 -.2018      .89  .0010  .0018  .0003  .0002 -.0001 -.0001
O1a    -.4781  .4384 -.1297     1.41  .0008  .0028  .0011  .0000  .0006  .0003
O1b    -.0326  .0608  .1336     1.19  .0009  .0030  .0006 -.0001  .0002  .0002
O2a    -.3905  .6375 -.1322     1.08  .0010  .0027  .0005 -.0002  .0004 -.0004
O2b    -.1136  .8558  .1413     1.29  .0015  .0020  .0007 -.0005  .0004  .0001
O3      .3529  .5749  .1802     1.45  .0015  .0042  .0006 -.0007  .0005 -.0007
O4     -.1832 1.0377  .0775     1.27  .0009  .0031  .0006  .0000 -.0001  .0000
O3x    -.4601  .5135 -.2214      5.3  .0070  .0174  .0005 -.0068  .0006 -.0009
O4x    -.3402  .4199 -.1549      4.4  .0034  .0033  .0045  .0010  .0033  .0002
O5a    -.0537  .4435  .0578      .86  .0007  .0022  .0005 -.0002  .0003 -.0001
O5b     .0465  .5523 -.0538      .98  .0008  .0031  .0004  .0002  .0003  .0000
O6a    -.1262  .5938  .1078     1.15  .0009  .0025  .0008 -.0002  .0007 -.0001
O6b     .1159  .3990 -.1066     1.07  .0010  .0019  .0007 -.0001  .0003 -.0003
O7a    -.1309  .3414  .1162     1.18  .0009  .0031  .0006  .0004  .0003  .0004
O7b    -.3769  .1494 -.1137     1.03  .0008  .0026  .0006  .0002  .0004  .0004
O8a    -.2128  .4503  .0298     1.59  .0005  .0070  .0005  .0000 -.0001  .0002
O8b    -.2955 1.0319 -.0278     1.30  .0008  .0042  .0005 -.0001  .0000  .0000
O9a    -.0829  .8341 -.0694     1.08  .0007  .0032  .0006  .0003  .0002  .0001
O9b    -.4190  .6636  .0771     1.08  .0011  .0030  .0005  .0001  .0003  .0005
O10a   -.0984  .6045 -.0352     1.06  .0008  .0028  .0005  .0001  .0001  .0000
O10b    .0896  .3905  .0374      .98  .0008  .0020  .0005  .0003  .0001  .0001
O11a   -.1102  .8063  .0232     1.27  .0011  .0037  .0005  .0007  .0003  .0000
O11b   -.3987  .6854 -.0179     1.14  .0012  .0037  .0002  .0005  .0000 -.0002
O12a   -.2228  .7542 -.0600     1.21  .0007  .0035  .0006 -.0002  .0000  .0000
O12b   -.2841  .7514  .0645     1.09  .0003  .0036  .0006  .0003  .0001  .0005
O13a   -.0528  .3576 -.0465      .81  .0007  .0021  .0004 -.0005  .0001  .0001
O13b    .0440  .6416  .0491      .86  .0008  .0018  .0005 -.0001  .0002 -.0001
O14a   -.0707  .1316 -.0771     1.08  .0009  .0026  .0005  .0001  .0002 -.0004
O14b    .0615  .8697  .0794     1.01  .0009  .0022  .0005 -.0001  .0002 -.0002
O15a   -.0970  .1878  .0149     1.15  .0014  .0028  .0004 -.0004  .0003  .0001
O15b    .0988  .8119 -.0097     1.34  .0017  .0038  .0003 -.0011  .0002  .0000
O16a   -.1988  .2629 -.0709     1.29  .0006  .0045  .0005  .0001 -.0001 -.0003
O16b    .1895  .7324  .0808     1.43  .0006  .0038  .0008  .0003 -.0002 -.0002
O17a    .0444  .6825  .1745     1.36  .0010  .0043  .0004 -.0001 -.0001  .0001
O17b   -.0504  .3223 -.1678     1.33  .0007  .0046  .0005 -.0002 -.0001  .0001
O18a    .1286  .3177 -.2271     1.49  .0016  .0043  .0006  .0002  .0005 -.0001
O18b   -.1330  .3264 -.2675     1.16  .0011  .0040  .0002 -.0004 -.0001  .0001
O19a    .1427  .8705  .2097     1.79  .0024  .0028  .0006 -.0002 -.0002  .0002
O19b   -.1390  .1271 -.2081     1.35  .0016  .0020  .0005 -.0002 -.0001  .0000
O20a    .1984  .6513  .1960     1.29  .0008  .0041  .0006  .0005  .0003  .0000
O20b   -.2049  .3417 -.1901     1.15  .0009  .0033  .0005 -.0001  .0003  .0000
O21a    .0584  .3362  .1706     1.81  .0012  .0050  .0007  .0011 -.0004 -.0004
O21b   -.0637  .6622 -.1628     1.28  .0010  .0035  .0005  .0004 -.0001 -.0002
O22a    .1579  .6486 -.2346      2.5  .0031  .0073  .0003 -.0027 -.0004  .0007
O22b   -.1528  .6528 -.2599      2.6  .0039  .0054  .0004  .0029 -.0003 -.0007
O23a    .1476  .1416  .2088     1.23  .0013  .0023  .0005  .0000  .0000 -.0001
O23b   -.1538  .8562 -.2035     1.19  .0014  .0020  .0005  .0001  .0000  .0001
O24a    .2129  .3461  .1820     1.59  .0016  .0032  .0008 -.0005  .0002  .0001
O24b   -.2192  .6485 -.1798     1.62  .0009  .0030  .0011 -.0005  .0001  .0003
OW1    -.2356 1.0006 -.1337 .97 1.21  .0011  .0034  .0005  .0000  .0003  .0001
FW1    -.2356 1.0006 -.1337 .03 1.21  .0011  .0034  .0005  .0000  .0003  .0001
OW2    -.2721  .5008  .1358      .95  .0006  .0030  .0004  .0001  .0001  .0000
HW1     -.228   .986  -.100 .97 1.20
HW2     -.273   .479   .094     1.20
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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