American Mineralogist Crystal Structure Database

10 matching records for this search.

Arrojadite-(KFe)
 
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 NM
Locality: Nancy mine, North Groton, New Hampshire, USA
_database_code_amcsd 0000846
24.692 10.031 16.453 90 105.78 90 A2/a
atom      x      y      z occ
Al1       0     .5      0
Fe1  .47321 .89531 .22048
Fe2  .26656 .00954 .21173
Fe3  .14023 .01559 .10524
Fe4  .40367 .25041 .02298
Fe5  .39990 .74383 .03394
Fe6  .35132 .70124 .20352
Fe7  .34199 .29518 .21822
Ca   .48587 .22363 .23404  .5
Na1  .11986 .51637 .13523
Na2       0      0      0  .5
Na3     .25  .1248      0  .5
Na4   .4560  .9448  .2037  .5
K       .25  .5090      0
P1   .36662 .01006 .11457  .5
P2   .33440 .99720 .08030  .5
P3   .42435 .46788 .13165
P4   .03946 .25200 .12680
P5   .04849 .76821 .10200
P6   .21262 .72485 .12932
P7   .20536 .30030 .14028
O1    .3677  .0625  .0258
O2    .3633 -.1412  .1122
O3    .3179  .0734  .1382  .5
O4    .4220  .0469  .1821  .5
O5    .2718  .9540  .0224  .5
O6    .3231  .0860  .1479  .5
O7    .4456  .4443  .0519
O8    .3909  .5970  .1207
O9    .3872  .3430  .1317
O10   .4725  .4678  .2131
O11   .0752  .1662  .0843
O12   .0367  .3958  .0950
O13  -.0199  .1897  .1101
O14   .0644  .2542  .2238
O15   .0489  .6431  .0458
O16   .0803  .8734  .0636
O17  -.0114  .8142  .0967
O18   .0793  .7371  .1939
O19   .1712  .6753  .0486
O20   .2709  .6765  .1296
O21   .2105  .8783  .1348
O22   .1952  .6648  .2057
O23   .1646  .3456  .0562
O24   .2644  .3551  .1456
O25   .2055  .1470  .1443
O26   .1847  .3561  .2151
F     .1395  .0035  .2301
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KFe)
 
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 NP
Locality: Nickel Plate mine, Keystone, South Dakota, USA
_database_code_amcsd 0000847
24.730 10.057 16.526 90 105.78 90 A2/a
atom      x      y     z occ
Al1       0     .5     0
Fe1   .4738  .8957 .2202
Fe2   .2674  .0078 .2123
Fe3   .1394  .0142 .1066
Fe4   .4036  .2496 .0222
Fe5   .4004  .7434 .0334
Fe6   .3517  .6992 .2044
Fe7   .3432  .2945 .2193
Ca1   .4848  .2223 .2322  .5
Na1   .1202  .5150 .1289
Na2       0      0     0  .5
Na3     .25  .1460     0  .5
Na4   .4567  .9417 .2077  .5
K       .25  .5043     0
P1    .3662  .0085 .1130  .5
P2    .3354  .9948 .0799  .5
P3    .4246  .4670 .1303
P4    .0385  .2518 .1259
P5    .0474  .7673 .1023
P6    .2115  .7241 .1304
P7    .2045  .2972 .1425
O1    .3675  .0614 .0250
O2    .3635 -.1416 .1120
O3    .3220  .0770 .1426  .5
O4    .4222  .0462 .1807  .5
O5    .2720  .9678 .0234  .5
O6    .4222  .0462 .1807  .5
O7    .4450  .4448 .0501
O8    .3924  .5879 .1213
O9    .3871  .3445 .1301
O10   .4733  .4637 .2103
O11   .0751  .1664 .0842
O12   .0360  .3951 .0941
O13  -.0206  .1891 .1078
O14   .0623  .2533 .2224
O15   .0482  .6428 .0467
O16   .0794  .8719 .0652
O17  -.0126 -.8139 .0961
O18   .0770  .7357 .1939
O19   .1703  .6785 .0484
O20   .2703  .6781 .1315
O21   .2088  .8773 .1395
O22   .1938  .6604 .2044
O23   .1653  .3402 .0583
O24   .2632  .3509 .1516
O25   .2052  .1447 .1489
O26   .1824  .3541 .2156
F     .1383  .0013 .2315
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KNa)
Download hom/arrojaditekna.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: Rapid Creek, Yukon, Canada
_database_code_amcsd 0004190
16.5520 10.0529 24.6477 90 106.509 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   -.0003  .4800 -.2457 .83 2.27  .0017  .0035  .0019  .0002  .0011  .0003
Na1    .0001  .0042 -.0002     2.87  .0033  .0049  .0011  .0007 -.0002  .0001
Na2    .1244  .5176  .1244     2.26  .0038  .0029  .0005  .0010 -.0004 -.0001
Ca    -.2367  .2236  .0181 .91  .90  .0009  .0021  .0005 -.0003  .0003 -.0002
Sr    -.2367  .2236  .0181 .01  .90  .0009  .0021  .0005 -.0003  .0003 -.0002
NaB1  -.2947  .5663 -.0439     1.93  .0015  .0056  .0008  .0005  .0000  .0007
NaB2  -.1220  .4855 -.1228     1.89  .0030  .0031  .0005  .0007  .0000  .0001
NaA2  -.0190  .1859  .2288     2.02
NaA2x  .0093  .1754  .2734 .01 2.00
FeM1  -.2247  .8853  .0284  .9 1.08  .0009  .0021  .0007  .0002  .0004  .0003
MnM1  -.2247  .8853  .0284  .1 1.08  .0009  .0021  .0007  .0002  .0004  .0003
FeM2a -.2893  .4803 -.2295  .9  .92  .0010  .0022  .0004 -.0003  .0001  .0000
MnM2a -.2893  .4803 -.2295  .1  .92  .0010  .0022  .0004 -.0003  .0001  .0000
MgM2b  .2859  .5144  .2344  .7  .92  .0009  .0023  .0004  .0000  .0001  .0001
FeM2b  .2859  .5144  .2344 .27  .92  .0009  .0023  .0004  .0000  .0001  .0001
MnM2b  .2859  .5144  .2344 .03  .92  .0009  .0023  .0004  .0000  .0001  .0001
MgM3a -.1125 -.0187 -.1367  .7  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
FeM3a -.1125 -.0187 -.1367 .27  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
MnM3a -.1125 -.0187 -.1367 .03  .78  .0008  .0018  .0003 -.0001  .0001 -.0001
MgM3b  .1036 1.0144  .1417  .7  .78  .0008  .0017  .0004  .0000  .0001 -.0001
FeM3b  .1036 1.0144  .1417 .27  .78  .0008  .0017  .0004  .0000  .0001 -.0001
MnM3b  .1036 1.0144  .1417 .03  .78  .0008  .0017  .0004  .0000  .0001 -.0001
FeM4a -.0239  .2491  .0973  .9  .79  .0007  .0020  .0004  .0001  .0001  .0001
MnM4a -.0239  .2491  .0973  .1  .79  .0007  .0020  .0004  .0001  .0001  .0001
MgM4b  .0238  .7513 -.0926  .7  .76  .0007  .0019  .0004  .0001  .0001  .0000
FeM4b  .0238  .7513 -.0926 .27  .76  .0007  .0019  .0004  .0001  .0001  .0000
MnM4b  .0238  .7513 -.0926 .03  .76  .0007  .0019  .0004  .0001  .0001  .0000
FeM5a  .0297  .2540 -.0973  .9  .75  .0007  .0021  .0003  .0000  .0001  .0000
MnM5a  .0297  .2540 -.0973  .1  .75  .0007  .0021  .0003  .0000  .0001  .0000
FeM5b -.0360  .7407  .1016  .9  .77  .0007  .0021  .0003  .0000  .0001  .0000
MnM5b -.0360  .7407  .1016  .1  .77  .0007  .0021  .0003  .0000  .0001  .0000
FeM6a -.2046  .6943  .1501  .9  .95  .0010  .0029  .0003  .0000  .0001  .0001
MnM6a -.2046  .6943  .1501  .1  .95  .0010  .0029  .0003  .0000  .0001  .0001
FeM6b -.3016  .8083 -.1471  .9 1.06  .0010  .0036  .0003  .0001  .0001  .0000
MnM6b -.3016  .8083 -.1471  .1 1.06  .0010  .0036  .0003  .0001  .0001  .0000
FeM7a -.2866  .2072 -.1525  .9  .86  .0008  .0026  .0003 -.0003  .0002  .0001
MnM7a -.2866  .2072 -.1525  .1  .86  .0008  .0026  .0003 -.0003  .0002  .0001
FeM7b -.2222  .6975 -.3402  .9 1.17  .0011  .0041  .0003  .0007  .0001 -.0001
MnM7b -.2222  .6975 -.3402  .1 1.17  .0011  .0041  .0003  .0007  .0001 -.0001
Al    -.0044  .4995  .0016      .59  .0006  .0015  .0003  .0000  .0001  .0000
P1    -.1165 1.0069  .1344      .65  .0007  .0016  .0003 -.0001  .0002 -.0001
P1x   -.4217  .5030 -.1604      .76  .0008  .0019  .0003 -.0001  .0002 -.0001
P2a   -.1338  .4644  .0770      .65  .0006  .0015  .0003 -.0001  .0002 -.0001
P2b    .1256  .5290 -.0741      .62  .0006  .0016  .0003  .0000  .0002  .0000
P3a   -.1303  .7454 -.0397      .60  .0005  .0016  .0003  .0002  .0001  .0001
P3b   -.3785  .7509  .0414      .60  .0006  .0016  .0003  .0000  .0001  .0000
P4a   -.1075  .2343 -.0462      .60  .0006  .0016  .0002 -.0001  .0001  .0000
P4b    .0984  .7686  .0497      .59  .0006  .0015  .0003  .0000  .0001  .0000
P5a    .1308  .7312  .2145      .66  .0007  .0016  .0003  .0000  .0001  .0000
P5b   -.1346  .2687 -.2097      .65  .0006  .0018  .0003  .0000  .0001  .0000
P6a    .1376  .2992  .2101      .79  .0008  .0017  .0003  .0000  .0000  .0000
P6b   -.1389  .7007 -.2043      .70  .0007  .0015  .0003 -.0001  .0001  .0000
O1a   -.4776  .4360 -.1287     1.28  .0013  .0027  .0008 -.0002  .0006  .0002
O1b   -.0286  .0620  .1357      .94  .0007  .0023  .0006 -.0002  .0002  .0001
O2a   -.3911  .6363 -.1328      .94  .0010  .0021  .0005 -.0001  .0003 -.0002
O2b   -.1144  .8544  .1381      .99  .0010  .0017  .0006 -.0003  .0004 -.0001
O3     .3569  .5701  .1826     1.37  .0015  .0038  .0006 -.0006  .0006 -.0006
O4    -.1819 1.0440  .0786     1.24  .0012  .0031  .0004  .0000 -.0001  .0002
O3x   -.4792  .5233 -.2231     1.57  .0015  .0052  .0004  .0000  .0000  .0000
O4x   -.3479  .4194 -.1654     1.36  .0015  .0028  .0008  .0008  .0008  .0003
O5a   -.0534  .4443  .0570      .81  .0007  .0020  .0004 -.0001  .0003  .0001
O5b    .0480  .5540 -.0524      .84  .0009  .0019  .0004  .0003  .0003  .0001
O6a   -.1229  .5931  .1110      .96  .0009  .0019  .0006 -.0004  .0004 -.0003
O6b    .1131  .4011 -.1084      .93  .0009  .0019  .0006 -.0002  .0004 -.0003
O7a   -.1337  .3374  .1133      .89  .0008  .0021  .0005  .0000  .0004  .0003
O7b   -.3718  .1554 -.1081      .96  .0009  .0021  .0005  .0001  .0003  .0003
O8a   -.2142  .4590  .0288     1.12  .0007  .0036  .0005 -.0001 -.0001  .0001
O8b   -.2922 1.0222 -.0255     1.07  .0009  .0027  .0005  .0001 -.0001  .0000
O9a   -.0812  .8342 -.0699      .98  .0009  .0026  .0005  .0001  .0004  .0001
O9b   -.4184  .6663  .0787      .91  .0009  .0020  .0005 -.0001  .0003  .0002
O10a  -.0997  .6022 -.0373      .81  .0007  .0024  .0003  .0001  .0001  .0001
O10b   .0901  .3952  .0395      .82  .0009  .0014  .0004  .0003  .0001  .0000
O11a  -.1178  .7998  .0211     1.08  .0010  .0038  .0003  .0008  .0002  .0000
O11b  -.3979  .6899 -.0175     1.03  .0013  .0026  .0003  .0004  .0001 -.0002
O12a  -.2248  .7500 -.0684     1.18  .0006  .0033  .0006 -.0002  .0000  .0004
O12b  -.2812  .7545  .0682     1.04  .0006  .0029  .0005  .0002  .0001  .0003
O13a  -.0516  .3576 -.0474      .74  .0008  .0012  .0004 -.0003  .0001  .0000
O13b   .0403  .6464  .0484      .75  .0008  .0016  .0004 -.0001  .0002 -.0001
O14a  -.0731  .1297 -.0795      .83  .0010  .0018  .0004 -.0002  .0002 -.0003
O14b   .0587  .8750  .0791      .85  .0009  .0017  .0005  .0000  .0003 -.0002
O15a  -.0953  .1857  .0147      .81  .0010  .0022  .0003 -.0002  .0001  .0000
O15b   .1000  .8127 -.0092     1.10  .0013  .0030  .0003 -.0006  .0002  .0000
O16a  -.2010  .2648 -.0717      .96  .0006  .0031  .0004  .0000  .0001 -.0001
O16b   .1878  .7331  .0842     1.01  .0006  .0032  .0004  .0002  .0000  .0000
O17a   .0515  .6792  .1718     1.03  .0009  .0026  .0004 -.0002  .0000  .0001
O17b  -.0531  .3193 -.1684     1.02  .0008  .0032  .0004 -.0003 -.0001  .0000
O18a   .1326  .3139 -.2266     1.21  .0013  .0040  .0003  .0002  .0001 -.0001
O18b  -.1417  .3232 -.2681     1.09  .0014  .0031  .0003 -.0005  .0002  .0001
O19a   .1355  .8838  .2105     1.47  .0020  .0018  .0005 -.0005 -.0001  .0001
O19b  -.1352  .1146 -.2091     1.19  .0016  .0015  .0005  .0000  .0000  .0000
O20a   .2077  .6725  .1987     1.13  .0009  .0036  .0005  .0003  .0003  .0001
O20b  -.2091  .3205 -.1893     1.08  .0010  .0028  .0006  .0002  .0003  .0000
O21a   .0520  .3357  .1697     1.14  .0010  .0028  .0005  .0004 -.0001 -.0001
O21b  -.0564  .6617 -.1609     1.04  .0008  .0028  .0004  .0002 -.0002 -.0002
O22a   .1394  .6572 -.2309     2.19  .0029  .0056  .0004 -.0023 -.0002  .0006
O22b  -.1337  .6634 -.2634     1.31  .0017  .0033  .0003  .0007  .0001 -.0001
O23a   .1467  .1465  .2088     1.13  .0015  .0017  .0005 -.0001  .0000 -.0001
O23b  -.1522  .8524 -.2013     1.02  .0013  .0015  .0004  .0004 -.0001 -.0001
O24a   .2090  .3647  .1906     1.86  .0011  .0044  .0011 -.0010  .0001  .0011
O24b  -.2126  .6273 -.1898     1.46  .0011  .0034  .0007 -.0007  .0000  .0004
OW1   -.2357 1.0031 -.1348 .97 1.21  .0011  .0032  .0006  .0000  .0004  .0000
FW1   -.2357 1.0031 -.1348 .03 1.21  .0011  .0032  .0006  .0000  .0004  .0000
OW2   -.2734  .5004  .1370     1.17  .0011  .0032  .0005 -.0002  .0002 -.0001
HW1    -.227  1.008  -.100 .97 1.20
HW2    -.277   .498   .098     1.20
HO3x   -.512   .548  -.269     1.20
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(SrFe)
 
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: Horrsjoberg, Varmland, Sweden
_database_code_amcsd 0004191
16.3992 9.9400 24.4434 90 105.489 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)
Na1   -.0051  .0074  .0028     2.03  .0022  .0031  .0009  .0005 -.0003  .0002
Na2    .1325  .5174  .1216     3.12  .0055  .0035  .0006  .0004 -.0007 -.0002
K     -.2307  .2158  .0215 .03 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Ca    -.2307  .2158  .0215 .59 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Na    -.2307  .2158  .0215 .15 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Ba    -.2307  .2158  .0215 .20 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
Pb    -.2307  .2158  .0215 .03 1.21  .0011  .0029  .0007 -.0006  .0005 -.0005
SrA1  -.0013  .5016 -.2442 .93 2.07  .0014  .0036  .0017 -.0001  .0009 -.0001
NaB2  -.1288  .4861 -.1195  .4 1.76  .0027  .0027  .0005  .0011 -.0001  .0002
FeB1  -.2993  .5494 -.0402  .1 3.39
MnB1  -.2993  .5494 -.0402  .1 3.39
NaB1  -.2993  .5494 -.0402 .13 3.39
FeB1x -.2513  .5184 -.0721  .1 1.72
MnB1x -.2513  .5184 -.0721  .1 1.72
NaB1x -.2513  .5184 -.0721 .13 1.72
FeB1y -.2352  .5148 -.0798  .1  .85
MnB1y -.2352  .5148 -.0798  .1  .85
NaB1y -.2352  .5148 -.0798 .13  .85
FeM1  -.2290  .8860  .0225 .67  .93  .0008  .0024  .0005  .0002  .0003  .0002
MnM1  -.2290  .8860  .0225 .33  .93  .0008  .0024  .0005  .0002  .0003  .0002
FeM2a -.2850  .4866 -.2306 .67 1.48  .0020  .0023  .0006  .0000  .0000  .0000
MnM2a -.2850  .4866 -.2306 .33 1.48  .0020  .0023  .0006  .0000  .0000  .0000
MgM2b  .2877  .5118  .2345  .9  .91  .0010  .0021  .0004 -.0001  .0001  .0000
FeM2b  .2877  .5118  .2345 .07  .91  .0010  .0021  .0004 -.0001  .0001  .0000
MnM2b  .2877  .5118  .2345 .03  .91  .0010  .0021  .0004 -.0001  .0001  .0000
MgM3a -.1115 -.0134 -.1383  .9  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
FeM3a -.1115 -.0134 -.1383 .07  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
MnM3a -.1115 -.0134 -.1383 .03  .89  .0009  .0020  .0004 -.0001  .0001 -.0001
MgM3b  .1000 1.0167  .1437  .9  .87  .0010  .0019  .0004  .0000  .0001  .0000
FeM3b  .1000 1.0167  .1437 .07  .87  .0010  .0019  .0004  .0000  .0001  .0000
MnM3b  .1000 1.0167  .1437 .03  .87  .0010  .0019  .0004  .0000  .0001  .0000
FeM4a -.0225  .2559  .1024 .67  .86  .0007  .0019  .0005  .0001  .0003  .0001
MnM4a -.0225  .2559  .1024 .33  .86  .0007  .0019  .0005  .0001  .0003  .0001
MgM4b  .0208  .7546 -.0947  .9  .96  .0009  .0023  .0005  .0002  .0002  .0001
FeM4b  .0208  .7546 -.0947 .07  .96  .0009  .0023  .0005  .0002  .0002  .0001
MnM4b  .0208  .7546 -.0947 .03  .96  .0009  .0023  .0005  .0002  .0002  .0001
FeM5a  .0310  .2565 -.0967 .67  .78  .0007  .0023  .0003 -.0001  .0002 -.0001
MnM5a  .0310  .2565 -.0967 .33  .78  .0007  .0023  .0003 -.0001  .0002 -.0001
FeM5b -.0377  .7450  .1024 .67  .90  .0008  .0025  .0004  .0000  .0002  .0000
MnM5b -.0377  .7450  .1024 .33  .90  .0008  .0025  .0004  .0000  .0002  .0000
FeM6a -.2092  .7012  .1502 .67  .88  .0009  .0026  .0003  .0002  .0001  .0000
MnM6a -.2092  .7012  .1502 .33  .88  .0009  .0026  .0003  .0002  .0001  .0000
FeM6b -.2976  .8035 -.1458 .67 1.27  .0011  .0046  .0004  .0006  .0001 -.0001
MnM6b -.2976  .8035 -.1458 .33 1.27  .0011  .0046  .0004  .0006  .0001 -.0001
FeM7a -.2848  .2129 -.1532 .67 1.01  .0009  .0033  .0004 -.0003  .0002  .0001
MnM7a -.2848  .2129 -.1532 .33 1.01  .0009  .0033  .0004 -.0003  .0002  .0001
FeM7b -.2221  .7054 -.3393 .67 1.09  .0010  .0036  .0004  .0005  .0002 -.0001
MnM7b -.2221  .7054 -.3393 .33 1.09  .0010  .0036  .0004  .0005  .0002 -.0001
Al    -.0045  .5031  .0013      .71  .0007  .0017  .0004  .0000  .0002  .0000
P1    -.1194 1.0128  .1338      .66  .0007  .0015  .0003  .0000  .0002  .0000
P1x   -.4217  .5041 -.1621      .92  .0010  .0021  .0005 -.0001  .0003  .0000
P2a   -.1356  .4645  .0762      .86  .0007  .0018  .0006 -.0002  .0003 -.0002
P2b    .1267  .5377 -.0747      .68  .0006  .0019  .0003  .0001  .0001  .0001
P3a   -.1296  .7542 -.0374      .77  .0006  .0022  .0003  .0003  .0002  .0001
P3b   -.3801  .7508  .0405      .63  .0006  .0016  .0003  .0000  .0001  .0000
P4a   -.1103  .2398 -.0474      .72  .0007  .0017  .0003 -.0002  .0002 -.0001
P4b    .0985  .7731  .0488      .68  .0006  .0014  .0004  .0001  .0001 -.0001
P5a    .1238  .7233  .2154      .69  .0007  .0016  .0003  .0000  .0001  .0000
P5b   -.1291  .2737 -.2100      .68  .0007  .0017  .0003 -.0001  .0001  .0000
P6a    .1388  .3009  .2107      .81  .0010  .0017  .0003  .0000  .0001 -.0001
P6b   -.1454  .6980 -.2001     1.15  .0009  .0017  .0007  .0001 -.0002 -.0003
O1a   -.4819  .4382 -.1317     1.11  .0010  .0030  .0006  .0000  .0005  .0002
O1b   -.0320  .0652  .1325      .98  .0007  .0023  .0006  .0000  .0003  .0002
O2a   -.3874  .6355 -.1311     1.09  .0013  .0021  .0006 -.0003  .0005 -.0004
O2b   -.1153  .8602  .1426     1.08  .0012  .0017  .0007 -.0001  .0004  .0003
O3     .3481  .5866  .1789     1.32  .0017  .0030  .0007  .0002  .0008 -.0001
O4    -.1849 1.0409  .0767     1.18  .0011  .0029  .0005  .0002 -.0001  .0002
O3x   -.4750  .5311 -.2242     1.86  .0014  .0080  .0005  .0002  .0002  .0003
O4x   -.3463  .4179 -.1645     1.38  .0014  .0024  .0010  .0001  .0008 -.0001
O5a   -.0526  .4438  .0582      .88  .0008  .0024  .0005 -.0004  .0003 -.0002
O5b    .0478  .5620 -.0529      .83  .0008  .0025  .0004  .0005  .0003  .0002
O6a   -.1303  .6004  .1058     1.32  .0012  .0022  .0010 -.0002  .0006 -.0003
O6b    .1173  .4060 -.1069     1.09  .0011  .0024  .0007 -.0003  .0005 -.0005
O7a   -.1317  .3445  .1176     1.68  .0015  .0034  .0012  .0007  .0010  .0009
O7b   -.3744  .1602 -.1129      .98  .0009  .0024  .0006  .0003  .0005  .0005
O8a   -.2143  .4450  .0267     2.13  .0008  .0079  .0010 -.0004  .0001 -.0010
O8b   -.2924 1.0399 -.0261     1.06  .0007  .0032  .0005  .0001  .0000  .0002
O9a   -.0870  .8364 -.0749     1.07  .0012  .0030  .0005  .0002  .0004  .0004
O9b   -.4189  .6715  .0812      .96  .0009  .0024  .0005  .0001  .0003  .0002
O10a  -.1005  .6077 -.0340      .91  .0009  .0023  .0004  .0002  .0001  .0000
O10b   .0905  .3974  .0372      .92  .0010  .0015  .0005  .0002  .0002  .0001
O11a  -.1093  .8196  .0224     1.05  .0012  .0031  .0004  .0004  .0002 -.0001
O11b  -.4021  .6837 -.0173     1.12  .0014  .0031  .0003  .0004  .0001 -.0002
O12a  -.2265  .7592 -.0599     1.20  .0006  .0040  .0006  .0005  .0001  .0003
O12b  -.2827  .7555  .0651     1.02  .0006  .0031  .0005 -.0001  .0001  .0003
O13a  -.0527  .3626 -.0482      .86  .0009  .0019  .0005 -.0006  .0003 -.0002
O13b   .0418  .6479  .0496      .82  .0010  .0019  .0004 -.0001  .0003 -.0001
O14a  -.0756  .1340 -.0813     1.04  .0012  .0021  .0005 -.0003  .0003 -.0004
O14b   .0627  .8754  .0834      .94  .0010  .0020  .0005 -.0001  .0002 -.0003
O15a  -.1006  .1897  .0133     1.15  .0016  .0027  .0004 -.0001  .0003  .0001
O15b   .0918  .8235 -.0110     1.25  .0018  .0030  .0003 -.0007  .0002  .0000
O16a  -.2031  .2734 -.0738     1.21  .0007  .0040  .0006  .0000  .0001 -.0001
O16b   .1898  .7361  .0788     1.23  .0007  .0033  .0006  .0002 -.0001 -.0003
O17a   .0421  .6713  .1749     1.15  .0009  .0032  .0005 -.0003 -.0001  .0001
O17b  -.0464  .3248 -.1700     1.17  .0009  .0030  .0006 -.0003  .0000  .0001
O18a   .1253  .3280 -.2254     1.22  .0014  .0033  .0004  .0002  .0003 -.0001
O18b  -.1328  .3307 -.2685     1.07  .0014  .0025  .0003 -.0003  .0000  .0002
O19a   .1298  .8781  .2132     1.41  .0020  .0020  .0005 -.0004  .0000  .0000
O19b  -.1332  .1187 -.2088     1.33  .0017  .0017  .0006 -.0006 -.0001  .0002
O20a   .1994  .6649  .1972     1.22  .0009  .0036  .0007  .0003  .0004 -.0001
O20b  -.2057  .3275 -.1901     1.18  .0009  .0039  .0005  .0002  .0003  .0000
O21a   .0550  .3501  .1717     1.24  .0010  .0033  .0005  .0004 -.0001 -.0001
O21b  -.0586  .6555 -.1632     1.19  .0009  .0028  .0006  .0004  .0000 -.0002
O22a   .1447  .6457 -.2299     1.54  .0020  .0040  .0004 -.0009  .0000  .0003
O22b  -.1558  .6368 -.2591     3.28  .0050  .0044  .0007  .0028 -.0011 -.0013
O23a   .1445  .1469  .2097     1.13  .0015  .0019  .0005  .0000  .0001  .0000
O23b  -.1544  .8517 -.2015     1.33  .0018  .0016  .0005  .0002 -.0002 -.0003
O24a   .2130  .3567  .1890     1.43  .0013  .0037  .0007 -.0004  .0002  .0004
O24b  -.2178  .6397 -.1765     2.31  .0009  .0033  .0021 -.0003  .0005  .0000
OW1   -.2342 1.0092 -.1390  .1 1.76  .0010  .0054  .0010  .0002  .0004 -.0003
FW1   -.2342 1.0092 -.1390  .9 1.76  .0010  .0054  .0010  .0002  .0004 -.0003
OW2   -.2750  .5005  .1423     1.51  .0009  .0038  .0010  .0000  .0002 -.0001
HW1    -.274  1.018  -.126  .1  .50
HW2    -.279   .498   .107     1.20
HO3x    .468   .469   .229     1.20
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(BaFe)
 
Demartin F, Gramaccioli C M, Pilati T, Sciesa E
Download cm/vol34/CM34_827.pdf
The Canadian Mineralogist 34 (1996) 827-834
Sigismundite, (Ba,K,Pb)Na3(Ca,Sr)(Fe,Mg,Mn)14Al(OH)2(PO4)12, a new
Ba-rich member of the arrojadite group from Spluga Valley, Italy
Locality: Spluga Valley, Italy
_database_code_amcsd 0005505
16.406 9.945 24.470 90 105.73 90 C2/c
atom      x      y      z  occ Biso
Al        0     .5      0   .5  .51
CaX1  .2299  .2192  .4832  .47 2.27
SrX1  .2299  .2192  .4832  .12 2.27
NaX2  .1345  .5171  .1206       3.3
NaX3      0      0      0   .5  1.9
NaX4      0   .014    .25 .080  1.1
NaX4x     0   .116    .25 .050  1.0
BaX5      0  .4990    .25  .38 1.90
KX5       0  .4990    .25  .06 1.90
PbX5      0  .4990    .25  .03 1.90
SrX5      0  .4990    .25  .01 1.90
FeM1  .2231  .8881  .4768  .25 1.31
MgM1  .2231  .8881  .4768  .18 1.31
FeM1x  .205   .948  .4545  .07  1.7
MgM1x  .205   .948  .4545  .05  1.7
FeM2  .2118  .0138 .26768  .49  .99
MgM2  .2118  .0138 .26768  .35  .99
FeM3  .1071  .0165  .1404  .30  .85
MgM3  .1071  .0165  .1404  .22  .85
FeM4  .0215  .2509  .4023  .40  .99
MgM4  .0215  .2509  .4023  .29  .99
FeM5  .0338  .7449 .40019  .52  .86
MgM5  .0338  .7449 .40019  .38  .86
FeM6  .2036  .7014 .35236  .52 1.08
MgM6  .2036  .7014 .35236  .38 1.08
FeM7  .2180  .2930  .3432  .46 1.31
MgM7  .2180  .2930  .3432  .33 1.31
P1    .1156  .0109  .3689 .620  .80
P1x   .0802  .0005  .3349 .380   .9
P2    .1299  .4648  .4234       .78
P3    .1265  .2510  .0395       .66
P4    .1033  .7678  .0486       .67
P5    .1294  .7269  .2128       .66
P6    .1431  .3005  .2061       .75
O1    .0255  .0653  .3675       1.2
O2    .1115 -.1389  .3630       1.2
O3    .1480  .0808  .3245       2.3
O4    .1808   .042  .4254 .620  1.5
O4x    .023  -.036   .271 .380  1.9
O5    .0500  .4412  .4443        .8
O6    .1199  .5963  .3901       1.4
O7    .1289  .3424  .3851       1.0
O8    .2096  .4608  .4716       1.8
O9    .0841  .1684  .0768        .9
O10   .0959  .3968  .0369        .7
O11   .1076  .1883 -.0193        .8
O12   .2249  .2522  .0654       1.3
O13   .0459  .6438  .0489        .7
O14   .0667  .8723  .0814        .9
O15   .0969  .8160 -.0109       1.2
O16   .1950  .7326  .0778        .3
O17   .0474  .6742  .1719        .8
O18   .1324  .6760  .2718        .0
O19   .1330  .8816  .2108        .6
O20   .2050  .6707  .1941        .0
O21   .0589  .3476  .1663        .2
O22   .1490  .3545  .2654        .8
O23   .1493  .1461  .2058        .9
O24   .2178  .3579  .1856       1.4
O25   .2304 -.0024  .1389       1.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KFe)
 
Merlino S, Mellini M, Zanazzi P F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=37&spage=1733
Acta Crystallographica B37 (1981) 1733-1736
Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2
Locality: Nickel Plate mine, Keystone, South Dakota, USA
_database_code_amcsd 0009747
16.526 10.057 24.730 90 105.78 90 C2/c
atom     x     y     z occ Biso
CaX1 .2322 .2223 .4848  .5 1.03
NaX2 .1289 .5150 .1202     2.99
NaX3     0     0     0     1.95
KX4      0 .5043   .25 .75 2.87
NaX4     0 .5043   .25 .25 2.87
NaX5     0 .1460   .25 .86 6.40
LiM1 .2202 .8957 .4738 .06 2.52
MgM1 .2202 .8957 .4738 .25 2.52
FeM1 .2202 .8957 .4738 .69 2.52
FeM2 .2123 .0078 .2674      .88
FeM3 .1066 .0142 .1394     1.14
FeM4 .0222 .2496 .4036      .66
FeM5 .0334 .7434 .4004      .58
MnM6 .2044 .6992 .3517      .73
MnM7 .2193 .2945 .3432      .90
Al       0    .5     0      .38
P1   .1130 .0085 .3662     1.78
P2   .1303 .4670 .4246      .48
P3   .1259 .2518 .0385      .43
P4   .1023 .7673 .0474      .47
P5   .1304 .7241 .2115      .57
P6   .1425 .2972 .2045      .77
O1   .0250 .0614 .3675     1.10
O2   .1120 .8584 .3635     1.10
O3   .1426 .0770 .3220     2.17
O4   .1807 .0462 .4222     3.15
O5   .0501 .4448 .4450      .53
O6   .1213 .5879 .3924      .96
O7   .1301 .3445 .3871      .92
O8   .2103 .4637 .4733     1.44
O9   .0842 .1664 .0751      .89
O10  .0941 .3951 .0360      .71
O11  .1078 .8109 .4794      .96
O12  .2224 .2533 .0623     1.07
O13  .0467 .6428 .0482      .66
O14  .0652 .8719 .0794      .82
O15  .0961 .1861 .4874     1.16
O16  .1939 .7357 .0770     1.17
O17  .0484 .6785 .1703     1.21
O18  .1315 .6781 .2703     1.38
O19  .1395 .8773 .2088     1.70
O20  .2044 .6604 .1938     1.21
O21  .0583 .3402 .1653     1.21
O22  .1516 .3509 .2632     2.39
O23  .1489 .1447 .2052     1.15
O24  .2156 .3541 .1824     1.70
OH25 .2315 .0013 .1383     1.13
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KNa)
Download hom/arrojaditekna.pdf
Steele I M
 
General Meeting of the International Mineralogical Association 18 (2002) MO2-117
Arrojadite: variations in space group and composition
based on four new refinements
Sample: red06ye
Locality: Rapid Creek, Yukon, Canada
_database_code_amcsd 0012657
16.549 10.053 24.618 90.00 106.55 90.00 Cc
atom      x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al   .26188 .99948  .20675      .0090  .0081  .0098  .0093 -.0005  .0030 -.0005
Ca   .49493 .72432  .19056 .984 .0111  .0111  .0109  .0127  .0016  .0056  .0015
K1   .75734 .52011 -.04573 .902 .0309  .0224  .0216  .0553  .0023  .0216  .0020
Na1  .27631  .6859 -.02073 .996 .0271  .0238  .0262  .0303  .0047  .0064  .0002
Na2A  .1336  .0173  .08367 .971 .0303   .049  .0168  .0154 -.0098 -.0071  .0019
Na2B .87933  .4854  .33112 .970 .0244  .0421  .0139  .0128 -.0043  .0008  .0001
Na3A  .2564  .5048  .20892 .961 .0257  .0354  .0129  .0209 -.0047 -.0047 -.0024
Na3B .55234  .0668  .25287 .960 .0224  .0211  .0234  .0190 -.0018 -.0002 -.0062
Fe1  .98183 .88533  .17886  .89 .0126  .0115  .0107  .0172 -.0015  .0065 -.0027
Mg1  .98183 .88533  .17886  .11 .0126  .0115  .0107  .0172 -.0015  .0065 -.0027
Fe2A .04671 .51992 -.06256  .95 .0125  .0135  .0125  .0108 -.0017  .0026 -.0008
Mg2A .04671 .51992 -.06256  .05 .0125  .0135  .0125  .0108 -.0017  .0026 -.0008
Fe2B .47184 .51456 -.02650  .76 .0121  .0119  .0126  .0112 -.0001  .0024 -.0019
Mg2B .47184 .51456 -.02650  .24 .0121  .0119  .0126  .0112 -.0001  .0024 -.0019
Fe3A .36992 .51879 -.15516  .57 .0101  .0107  .0097  .0101 -.0002  .0032 -.0013
Mg3A .36992 .51879 -.15516  .43 .0101  .0107  .0097  .0101 -.0002  .0032 -.0013
Fe3B .15404 .51410  .06640  .43 .0102  .0110  .0098  .0098  .0008  .0028  .0011
Mg3B .15404 .51410  .06640  .57 .0102  .0110  .0098  .0098  .0008  .0028  .0011
Fe4A .23319 .74925 -.19937  .72 .0111  .0107  .0111  .0114  .0007  .0032 -.0003
Mg4A .23319 .74925 -.19937  .28 .0111  .0107  .0111  .0114  .0007  .0032 -.0003
Fe4B .28149 .74904  .11087  .78 .0094  .0090  .0105  .0087 -.0009  .0027 -.0008
Mg4B .28149 .74904  .11087  .22 .0094  .0090  .0105  .0087 -.0009  .0027 -.0008
Fe5A .22793 .75397  .30554  .97 .0104  .0095  .0126  .0095 -.0001  .0034  .0000
Mg5A .22793 .75397  .30554  .03 .0104  .0095  .0126  .0095 -.0001  .0034  .0000
Fe5B .79365 .74052  .10639  .93 .0104  .0086  .0120  .0107  .0003  .0027 -.0004
Mg5B .79365 .74052  .10639  .07 .0104  .0086  .0120  .0107  .0003  .0027 -.0004
Fe6A .05935 .80813  .35518  .94 .0147  .0133  .0210  .0091 -.0009  .0021 -.0004
Mg6A .05935 .80813  .35518  .06 .0147  .0133  .0210  .0091 -.0009  .0021 -.0004
Fe6B .96160 .69430  .05802  .92 .0121  .0127  .0156  .0075  .0003  .0021 -.0009
Mg6B .96160 .69430  .05802  .08 .0121  .0127  .0156  .0075  .0003  .0021 -.0009
Fe7A .47946 .80246  .04808  .92 .0141  .0128  .0202  .0086  .0057  .0019 -.0023
Mg7A .47946 .80246  .04808  .08 .0141  .0128  .0202  .0086  .0057  .0019 -.0023
Fe7B .04422 .79268 -.13948  .76 .0115  .0108  .0151  .0095 -.0021  .0041 -.0001
Mg7B .04422 .79268 -.13948  .24 .0115  .0108  .0151  .0095 -.0021  .0041 -.0001
P1A  .17902 .49699 -.13108      .0110  .0112  .0122  .0104  .0003  .0045 -.0004
P1B  .87411 .00690  .07398      .0099  .0107  .0102  .0100 -.0001  .0049  .0007
P2A  .39154 .96492  .13161      .0100  .0102  .0094  .0111  .0007  .0043 -.0005
P2B  .13165 .97190 -.21748      .0096  .0093  .0105  .0098 -.0003  .0039 -.0004
P3A  .13595 .75125  .16697      .0090  .0093  .0100  .0089 -.0006  .0044  .0003
P3B  .88776 .74495  .24841      .0095  .0089  .0099  .0095 -.0010  .0025 -.0018
P4A  .65913 .76825  .15860      .0093  .0091  .0092  .0098  .0000  .0029  .0009
P4B  .36510 .73439  .25473      .0093  .0097  .0103  .0084  .0011  .0032  .0001
P5A  .89204 .73110 -.08148      .0100  .0109  .0096  .0099  .0001  .0034 -.0008
P5B  .12654 .76826  .49385      .0107  .0102  .0112  .0105 -.0001  .0026  .0001
P6A  .39573 .79932 -.08692      .0109  .0115  .0102  .0102 -.0012  .0020 -.0005
P6B  .12012 .79938 -.00182      .0115  .0104  .0111  .0116 -.0003  .0009 -.0003
O1A   .2373  .4766 -.06859      .0197   .021  .0246  .0129 -.0008  .0035  .0000
O1B   .9388  .0441  .12986      .0169  .0194  .0147  .0148 -.0004  .0020 -.0005
O2A   .1480  .6367  .34120      .0136  .0149  .0118  .0167  .0033  .0086  .0014
O2B   .8725  .8540  .07095      .0141  .0167  .0107  .0156  .0000  .0059  .0024
O3A   .2344  .5637 -.16290      .0174   .017  .0165  .0220 -.0011  .0110  .0036
O3B   .2863  .5614  .07269      .0139  .0102  .0157  .0167  .0014  .0050 -.0002
O4A   .1052  .5800 -.12632      .0164  .0179  .0147  .0208  .0056  .0125 -.0012
O4B   .4004  .5704  .02512      .0196   .019   .024  .0190  .0049  .0098  .0048
O5A   .1289  .8448 -.18385      .0138  .0118  .0147  .0190  .0020  .0108  .0030
O5B   .3915  .8383  .09511      .0125  .0156  .0116  .0098  .0010  .0030 -.0044
O6A   .3801  .0942  .09721      .0154  .0159  .0129  .0204  .0038  .0100  .0049
O6B   .1442  .0983 -.18272      .0138  .0149  .0111  .0190 -.0010  .0105 -.0015
O7A   .4717  .9597  .17947      .0152  .0128  .0163  .0155  .0022  .0023 -.0001
O7B   .0493  .9804 -.26619      .0142   .014  .0127  .0136 -.0002  .0008 -.0005
O8A   .3113  .9442  .15169      .0105  .0109  .0115  .0105  .0012  .0052 -.0024
O8B   .2093  .9471 -.23913      .0125  .0129  .0134  .0124  .0024  .0055 -.0011
O9A   .1761  .6663  .13014      .0144  .0135  .0167  .0140 -.0010  .0056 -.0013
O9B   .8380  .8351  .27778      .0129  .0115  .0147  .0148  .0004  .0077 -.0021
O10A  .1673  .8948  .16890      .0123  .0159  .0100  .0114 -.0022  .0047 -.0028
O10B  .8571  .6019  .24623      .0122  .0106  .0119  .0140 -.0005  .0032  .0003
O11A  .1549  .6902  .22613      .0153   .023  .0161  .0058 -.0039  .0029  .0002
O11B  .8759  .7991  .18748      .0149   .018  .0162  .0132 -.0029  .0084  .0032
O12A  .0384  .7545  .13981      .0146  .0126  .0173  .0145 -.0009  .0048 -.0043
O12B  .9822  .7496  .27820      .0163  .0064  .0198  .0220  .0009  .0029 -.0044
O13A  .6566  .8111  .21732      .0136  .0135  .0178  .0109  .0018  .0057 -.0020
O13B  .3518  .6849  .19385      .0127  .0147  .0140  .0100  .0022  .0046 -.0005
O14A  .6990  .8755  .12987      .0118  .0147  .0102  .0115 -.0007  .0057  .0027
O14B  .3302  .6308  .28828      .0124  .0139  .0105  .0140 -.0003  .0055 -.0007
O15A  .5702  .7321  .12394      .0140  .0074  .0187  .0142 -.0013  .0004 -.0029
O15B  .4585  .7637  .28039      .0129  .0097  .0141  .0173  .0025  .0076  .0020
O16A  .7169  .6452  .16027      .0109  .0125  .0089  .0113  .0005  .0032 -.0019
O16B  .3089  .8572  .25584      .0116  .0119  .0112  .0118  .0025  .0036  .0023
O17A  .8921  .8857 -.08184      .0184   .020  .0123  .0191  .0007  .0002  .0033
O17B  .1222  .6167  .49726      .0205   .028  .0115  .0167 -.0018 -.0026 -.0015
O18A  .8102  .6802 -.12288      .0140  .0123  .0183  .0098  .0005  .0005 -.0002
O18B  .2058  .8209  .53694      .0136  .0125  .0128  .0139 -.0026  .0011  .0022
O19A  .9664  .6809 -.10228      .0151  .0111  .0199  .0159 -.0003  .0061  .0008
O19B  .0491  .8267  .50976      .0157   .013  .0186  .0157  .0033  .0043 -.0011
O20A  .9000  .6769 -.02275      .0189   .021  .0198  .0150 -.0039  .0035 -.0007
O20B  .1245  .8151  .43511      .0158   .016  .0203  .0098 -.0026  .0022  .0025
O21A  .3909  .8357 -.02811      .0175   .020  .0178  .0133  .0047  .0021 -.0013
O21B  .1187  .8428 -.06097      .0291   .038   .031  .0101 -.0182 -.0056  .0064
O22A  .4096  .6475 -.08998      .0168   .027  .0084  .0114  .0019  .0001 -.0018
O22B  .1113  .6469 -.00041      .0150   .018  .0115  .0162 -.0008  .0059  .0028
O23A  .3133  .8387 -.13040      .0141   .016  .0102  .0141  .0008  .0005 -.0013
O23B  .2066  .8354  .03858      .0179   .016  .0180  .0168 -.0032  .0001  .0005
O24A  .4698  .8719 -.10107      .0183   .017  .0198  .0162 -.0060  .0023  .0039
O24B  .0493  .8661  .01801      .0277   .017   .026   .037  .0081  .0025 -.0161
O25A  .4931  .4968 -.15613      .0183   .011   .023   .022 -.0013  .0081 -.0004
O25B  .0305  .4999  .07129      .0150   .017  .0138  .0141  .0016  .0040  .0034
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KNa)
Download hom/arrojaditekna.pdf
Steele I M
 
General Meeting of the International Mineralogical Association 18 (2002) MO2-117
Arrojadite: variations in space group and composition
based on four new refinements
Sample: arropala
Locality: Palermo No. 1 mine, Groton, New Hampshire, USA
_database_code_amcsd 0012658
16.531 10.0040 24.644 90.00 105.943 90.00 Cc
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al   .26167 .99887  .20654       .0049  .0055  .0028  .0064 -.0003  .0018  .0002
Sr   .48669 .71368  .18636  .23 .01368  .0149  .0114  .0148  .0014  .0043  .0010
Ca   .48669 .71368  .18636  .23 .01368  .0149  .0114  .0148  .0014  .0043  .0010
Fe   .48669 .71368  .18636  .54 .01368  .0149  .0114  .0148  .0014  .0043  .0010
Ba   .75613 .50461 -.04781  .06  .0197  .0120  .0287  .0214  .0037  .0094  .0033
K1A  .75613 .50461 -.04781  .51  .0197  .0120  .0287  .0214  .0037  .0094  .0033
K1B   .7605  .6446  -.0441  .17  .0082
Na1   .2804  .6832 -.01886 .589  .0187   .015   .024   .017  .0137  .0051  .0110
Na2A  .1345  .0118  .08591 .945  .0247   .045  .0062  .0123 -.0048 -.0099  .0019
Na2B .87846  .4893  .32899 .947  .0098  .0155  .0041  .0074 -.0018 -.0010  .0000
Na3A  .2614  .5023  .20652 .998  .0115  .0150  .0058  .0112 -.0018 -.0009 -.0008
Na3B .55256  .0539  .25049 .980  .0116  .0099  .0129  .0097 -.0021 -.0014 -.0022
Fe1  .98516 .88337  .18470  .96  .0075  .0073  .0060  .0096 -.0015  .0027 -.0032
Mg1  .98516 .88337  .18470  .04  .0075  .0073  .0060  .0096 -.0015  .0027 -.0032
Fe2A .04671 .51112 -.06381  .98  .0096  .0141  .0067  .0069 -.0019  .0010 -.0015
Mg2A .04671 .51112 -.06381  .02  .0096  .0141  .0067  .0069 -.0019  .0010 -.0015
Fe2B .47272 .50570 -.02527  .91  .0067  .0081  .0056  .0054 -.0005 -.0001 -.0005
Mg2B .47272 .50570 -.02527  .09  .0067  .0081  .0056  .0054 -.0005 -.0001 -.0005
Fe3A .37110 .51504 -.15429  .52  .0055  .0070  .0039  .0053  .0001  .0012 -.0006
Mg3A .37110 .51504 -.15429  .48  .0055  .0070  .0039  .0053  .0001  .0012 -.0006
Fe3B .15387 .51177  .06580  .56  .0049  .0060  .0028  .0050  .0008  .0001  .0009
Mg3B .15387 .51177  .06580  .44  .0049  .0060  .0028  .0050  .0008  .0001  .0009
Fe4A .23606 .74611 -.19800  .82  .0047  .0063  .0028  .0047  .0013  .0008  .0002
Mg4A .23606 .74611 -.19800  .18  .0047  .0063  .0028  .0047  .0013  .0008  .0002
Fe4B .27880 .74836  .10850  .84  .0060  .0058  .0040  .0074  .0003  .0007 -.0005
Mg4B .27880 .74836  .10850  .16  .0060  .0058  .0040  .0074  .0003  .0007 -.0005
Fe5A .22744 .75219  .30433  .99  .0051  .0059  .0040  .0050  .0000  .0007 -.0010
Mg5A .22744 .75219  .30433  .01  .0051  .0059  .0040  .0050  .0000  .0007 -.0010
Fe5B .79347 .74065  .10695  .99  .0058  .0064  .0046  .0060 -.0002  .0009  .0006
Mg5B .79347 .74065  .10695  .01  .0058  .0064  .0046  .0060 -.0002  .0009  .0006
Fe6A .05591 .80261  .35348  .90  .0079  .0093  .0084  .0055 -.0009  .0014  .0004
Mg6A .05591 .80261  .35348  .10  .0079  .0093  .0084  .0055 -.0009  .0014  .0004
Fe6B .96393 .69474  .05822  .93  .0066  .0085  .0059  .0052  .0004  .0015  .0002
Mg6B .96393 .69474  .05822  .07  .0066  .0085  .0059  .0052  .0004  .0015  .0002
Fe7A .48162 .79830  .04887  .89  .0066  .0085  .0071  .0040  .0027  .0010 -.0007
Mg7A .48162 .79830  .04887  .11  .0066  .0085  .0071  .0040  .0027  .0010 -.0007
Fe7B .04223 .78902 -.13981  .86  .0064  .0078  .0062  .0048 -.0014  .0011  .0008
Mg7B .04223 .78902 -.13981  .14  .0064  .0078  .0062  .0048 -.0014  .0011  .0008
P1A  .87477 .00588  .07462       .0052  .0072  .0035  .0052 -.0001  .0018 -.0005
P1B  .18060 .49527 -.12937       .0067  .0095  .0044  .0069 -.0015  .0035 -.0005
P2A  .39013 .95864  .13120       .0053  .0073  .0033  .0053  .0000  .0016  .0004
P2B  .13162 .96699 -.21767       .0049  .0061  .0035  .0045 -.0005  .0008 -.0005
P3A  .13681 .74684  .16906       .0044  .0056  .0034  .0041  .0003  .0008  .0004
P3B  .88714 .74808  .24583       .0050  .0058  .0033  .0057 -.0008  .0010 -.0002
P4A  .65834 .76867  .16115       .0045  .0061  .0028  .0045 -.0001  .0016 -.0007
P4B  .36724 .73522  .25388       .0054  .0071  .0034  .0048  .0006  .0002  .0009
P5A  .88967 .72444 -.08280       .0058  .0086  .0037  .0046  .0015  .0008 -.0004
P5B  .12898 .77651  .49440       .0060  .0064  .0044  .0069 -.0006  .0014  .0003
P6A  .40234 .79605 -.08916       .0079  .0114  .0024  .0077  .0004 -.0011 -.0005
P6B  .11464 .79483  .00011       .0079  .0079  .0054  .0076 -.0016 -.0026  .0000
O1A   .2373  .4679 -.06651       .0220   .020   .038  .0063  -.004  .0015  .0037
O1B   .9403  .0401  .13059       .0111   .014  .0071  .0092  .0015 -.0014 -.0008
O2A   .1470  .6350  .34113       .0069   .010  .0033  .0078  .0019  .0028  .0004
O2B   .8723  .8525  .06839       .0083   .011  .0053  .0104 -.0011  .0050  .0000
O3A   .2403  .5602 -.15950       .0107   .013  .0075  .0134 -.0020  .0070 -.0015
O3B   .2868  .5594  .07475       .0068  .0052  .0054  .0094  .0001  .0013 -.0034
O4A   .1086  .5828 -.12411       .0164   .021  .0091   .025  .0018  .0157 -.0002
O4B   .4024  .5752  .02679       .0144   .021   .012  .0144  .0041  .0122  .0048
O5A   .1341  .8464 -.17891       .0079   .011  .0057  .0076 -.0018  .0041 -.0009
O5B   .3864  .8385  .09027       .0086   .011  .0049   .011 -.0024  .0048 -.0067
O6A   .3848  .0949  .10266       .0086   .011  .0051  .0116  .0020  .0052  .0020
O6B   .1397  .1015 -.18755       .0086   .012  .0062  .0075  .0005  .0024  .0009
O7A   .4701  .9359  .17945       .0097   .008  .0117  .0084  .0038  .0012  .0033
O7B   .0502  .9630 -.26660       .0078   .011  .0048  .0058 -.0028 -.0007  .0008
O8A   .3080  .9412  .15010       .0056  .0045  .0057  .0084 -.0024  .0050 -.0007
O8B   .2109  .9432 -.23855       .0066   .008  .0047  .0057 -.0011 -.0013  .0003
O9A   .1755  .6655  .12955       .0068   .008  .0056  .0078  .0008  .0030 -.0018
O9B   .8438  .8332  .28145       .0089   .012  .0067  .0098 -.0014  .0059  .0004
O10A  .1662  .8925  .17222       .0069   .012  .0018  .0070  .0019  .0021  .0018
O10B  .8571  .6027  .24318       .0059  .0059  .0052  .0055 -.0016 -.0007 -.0019
O11A  .1595  .6803  .22693       .0076   .010  .0080  .0053 -.0014  .0020 -.0022
O11B  .8682  .8119  .18562       .0093   .012  .0070  .0087 -.0001  .0019  .0043
O12A  .0394  .7509  .14521       .0069  .0044  .0060  .0110 -.0026  .0031 -.0032
O12B  .9835  .7549  .26869       .0101   .010  .0049   .014  .0005  .0016 -.0028
O13A  .6659  .8187  .22086       .0075   .012  .0039  .0069  .0024  .0036 -.0003
O13B  .3558  .6856  .19318       .0074   .011  .0060  .0055  .0007  .0023 -.0021
O14A  .6946  .8721  .12729       .0063  .0069  .0055  .0052 -.0003 -.0003  .0016
O14B  .3327  .6307  .28725       .0075   .012  .0042  .0068  .0007  .0044 -.0003
O15A  .5664  .7347  .13112       .0093   .004  .0103  .0117 -.0001 -.0006 -.0012
O15B  .4601  .7650  .27885       .0085   .007  .0067  .0104 -.0024  .0005  .0015
O16A  .7145  .6434  .16005       .0052  .0078  .0019  .0058  .0006  .0019 -.0016
O16B  .3104  .8583  .25525       .0066   .008  .0050  .0052  .0015 -.0007  .0014
O17A  .8946  .8788 -.08334       .0138   .018  .0056  .0123  .0013 -.0058  .0000
O17B  .1184  .6232  .49746       .0176   .027  .0047   .014  .0006 -.0070  .0028
O18A  .8071  .6777 -.12400       .0092   .010  .0089  .0079  .0012  .0009 -.0002
O18B  .2123  .8217  .53560       .0108   .009  .0088  .0103 -.0030 -.0040  .0048
O19A  .9622  .6647 -.10367       .0105   .009   .012  .0108  .0014  .0021 -.0043
O19B  .0553  .8406  .51341       .0125   .009   .019  .0098  .0042  .0039 -.0023
O20A  .8943  .6729 -.02411       .0129   .014   .015  .0093 -.0057  .0034  .0004
O20B  .1267  .8217  .43494       .0107   .016  .0117  .0040 -.0012  .0024  .0014
O21A  .4068  .8461 -.03002       .0310   .053   .020   .010   .025  -.009 -.0051
O21B  .1021  .8534 -.05808       .0254   .039   .018   .009  -.019  -.010  .0077
O22A  .4121  .6440 -.08930       .0096   .018  .0001  .0091 -.0032  .0006  .0015
O22B  .1091  .6407 -.00151       .0092   .012  .0058  .0079 -.0040  .0000  .0006
O23A  .3188  .8378 -.12982       .0075   .014  .0030  .0050  .0005  .0021 -.0021
O23B  .2015  .8354  .03764       .0139   .015   .013   .012 -.0077  .0000  .0006
O24A  .4741  .8590  -.1099       .0183   .010   .011   .028 -.0038 -.0044  .0065
O24B  .0436  .8498  .02553       .0154   .012   .010   .022  .0039 -.0001 -.0076
O25A  .4934  .4975 -.15736       .0095   .006   .011   .012 -.0017  .0029 -.0052
O25B  .0305  .4989  .07229       .0077   .012  .0025  .0070 -.0022  .0001 -.0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite-(KFe)
 
Krutik V M, Pushcharovskii D Y, Podebimskaya E A, Belov N V
 
Kristallografiya 24 (1979) 743-750
Crystal structure of arrojadite
Locality: Nickel Plate mine, South Dakota, USA
_database_code_amcsd 0014185
16.476 24.581 9.996 90 90 105.79 B2/b
atom     x      y      z occ Biso
FeX1 .4664  .6001  .2550      .84
FeX2 .4783  .5969  .7497     1.42
FeX3 .2958  .6478  .2986     1.12
FeX4 .2816  .6570  .7057     1.58
MnX5 .2882  .7327 -.0113     1.02
FeX6 .3936  .3601  .0155      .86
FeX7 .2218  .4761  .3920     1.52
AlX8     0      0      0      .85
NaA1     0    .25 -.0018 .25  .71
KA1      0    .25 -.0018 .25  .71
BaA1     0    .25 -.0018 .25  .71
SrA1     0    .25 -.0018 .25  .71
NaA2    .5     .5      0     1.81
NaA3 .1331  .1207  .0155  .5  .89
CaA3 .1331  .1207  .0155  .5  .89
P1   .3734  .4606  .2512      .37
P2   .3694  .5765  .5340      .51
P3   .3569  .2946  .3004      .64
P4   .3704  .2879  .7260      .47
P5   .3864  .6298 -.0102     2.12
P6   .3981  .4523  .7684      .55
O1   .3913  .5197  .1878      .94
O2   .2766  .4363  .2568     1.46
O3   .4146  .4236  .1662      .70
O4   .4043  .4631  .3958      .68
O5   .2908  .0285  .4631     1.64
O6   .1201  .3904  .0975     1.24
O7   .3703  .6138  .6580     1.06
O8   .4491  .5549  .5561      .47
O9   .4414  .3348  .3465     1.10
O10  .2824  .3170  .3583     1.49
O11  .3491  .2354  .3548     1.83
O12  .3518  .2941  .1418      .85
O13  .4534  .3293  .6754     1.18
O14  .2938  .3062  .6665     1.29
O15  .3683  .2291  .6744     1.14
O16  .1298  .2105  .3813     1.86
O17  .3882  .6380  .1392     1.10
O18  .4748  .1320  .0630      .89
O19  .3545  .1765  .0799     2.04
O20  .3179  .0741  .0405 .34 4.05
OH20 .3179  .0741  .0405 .33 4.05
F20  .3179  .0741  .0405 .33 4.05
O21  .0457  .0486  .1463      .49
O22  .0640  .0800  .3704      .79
O23  .1952  .0766  .2340     1.02
O24  .4053  .0133  .1853 .34 1.02
OH24 .4053  .0133  .1853 .33 1.02
F24  .4053  .0133  .1853 .33 1.02
F25  .2311  .1392  .4979     1.41
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Arrojadite
Download hom/arrojadite.pdf
Yakubovich O V, Matviyenko Y N, Simonov M A, Melnikov O K
 
Vestnik Moskovskogo Universiteta Geologiya 41 (1986) 36-47
The crystalline structure of synthetic Fe3+-arrojadites with
the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2
Locality: synthetic
Note: the number of errors and/or typos in this paper is large
_database_code_amcsd 0015708
16.53 10.084 24.64 90 105.75 90 C2/c
atom       x     y      z occ Biso
Fe1        0     0      0      .51
Fe2   .39086 .9858 .85696      .88
Fe3   .53328 .2566 .40047      .74
Fe4   .02187 .2523 .40101     1.03
Fe5   .29910 .3005 .14731      .97
Fe6   .21735 .4969 .26753     1.10
Fe7    .2191 .2077 .34131 .84  .96
Fe8    .2732 .1081  .0192 .60 1.17
Fe9    .2254 .2921  .4773 .40  .95
Fe10   .2108 .2395  .3428 .16  1.0
Fe11   .2566  .139  .0112 .09  1.4
P1     .1279 .2544  .0389      .73
P2     .3696 .2770  .2875      .70
P3     .1467 .2064  .2035      .92
P4     .3932 .2287  .4514      .89
P5     .1309 .0388  .4213      .76
P6     .3809 .9933  .1316 .75 1.05
P7     .4214 .0095  .3238 .25   .7
Na1        0    .5      0      2.4
Na2    .1229 .9876  .1218 .70  2.7
Na3    .4733  .186  .2240 .32  2.9
Na4    .2902  .032  .0449 .25  1.2
Na5    .3304  .481  .3891 .30  1.3
Na6      .25   .25     .5 .28  2.3
K1         0 .0087    .25     2.82
K2         0  .318    .25 .36  4.1
K3        .5  .059    .25 .36  3.1
O1     .2364 .4979  .1419      1.1
O2     .3598 .1241  .2896      1.7
O3     .0607 .1621  .1670      1.6
O4     .3940 .1833  .0207      1.2
O5     .1500 .3586  .2066      1.3
O6     .0989 .3168  .4883      1.5
O7     .4529 .3181  .3285      1.3
O8     .1277 .1554  .3798      1.0
O9     .0297 .4399  .3686      1.4
O10    .4498 .3519  .4491       .7
O11    .2251 .2603  .0610      1.1
O12    .0494 .0615  .4402      1.0
O13    .1602 .1470  .2620      2.0
O14    .1024 .1082  .0363       .9
O15    .0848 .3337  .0758      1.0
O16    .3888 .1434  .1386      1.2
O17    .1894 .4668  .4247 .75  2.4
O18    .1496 .4269  .3223      1.9
O19    .2170 .1541  .1783      1.6
O20    .3761 .4027  .1059      1.0
O21    .3017 .2616  .4223      1.5
O22    .2093 .0511  .4711      1.9
O23    .3670 .3238  .2284      1.4
O24    .4308 .1245  .4195      1.2
O25    .2968 .3430  .3069      1.4
OH26    .473  .024  .2292 .25  3.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

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: 10
View in amc, download in amc

Return to AMCSD Home Page