American Mineralogist Crystal Structure Database

4 matching records for this search.

Merrillite
 
Hughes J M, Jolliff B L, Gunter M E
Download am/vol91/AM91_1547.pdf
American Mineralogist 91 (2006) 1547-1552
The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14
lunar mission: The first structure of merrillite from the Moon
_database_code_amcsd 0004238
10.2909 10.2909 36.8746 90 90 120 R3c
atom      x     y      z occ  Uiso
Na        0     0  .8137 .23   .07
Ca1   .2763 .1398 .67489     .0247
Ca2   .2745 .1376 .56760     .0195
Ca3   .3805 .1887 .76925     .0251
Mg        0     0      0 .80 .0144
Fe        0     0      0 .20 .0144
P1        0     0 .73247 .93 .0193
P2    .3151 .1390 .86556 .88  .011
P3    .3429 .1539 .96904 .89  .016
O1        0     0  .6905      .027
O2   -.0075 .1375  .7450      .032
O3    .2713 .0915  .8262      .031
O4     .247  .233  .8792      .029
O5    .2717 -.001  .8881      .021
O6    .4887  .245  .8694      .029
O7    .3776  .189  .0092      .028
O8    .3993 .0509  .9564      .028
O9    .4141 .3040  .9491      .026
O10   .1723  .084  .9622      .026
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View JMOL 3-D Structure (permalink)
 
Merrillite
 
Hughes J M, Jolliff B L, Rakovan J
Download am/vol93/AM93_1300.pdf
American Mineralogist 93 (2008) 1300-1305
The crystal chemistry of whitlockite and merrillite and the
dehydrogenation of whitlockite to merrillite
Locality: synthetic
Note: Formed through dehydrogenation of synthetic whitlockite
by heating at 1050 degrees C for 24 hours
_database_code_amcsd 0004626
10.3499 10.3499 37.115 90 90 120 R3c
atom         x       y      z  occ   Uiso
CaIIB1  .27347  .14232 .56805      .00999
CaIIB2  .38364  .17687 .76923      .01083
CaIB    .27226  .14701 .67506      .01981
CaIIA'       0       0 .81260 .443  .0147
Mg           0       0      0 .935  .0086
Fe           0       0      0 .065  .0086
PB1     .31343  .13900 .86563      .00944
PB2     .34384  .15160 .96931      .00837
OIB1    .26151  .08320 .82711       .0210
OIIB1   .24269  .22849 .87966       .0182
OIIB3   .27624 -.00043 .88827       .0114
OIIB5   .48536  .24023 .86822       .0148
OIIB2   .39666  .04391 .95679       .0140
OIIB4   .41985  .30068 .94937       .0163
OIIB6   .17435  .07693 .96245       .0112
OIB2    .37816  .18167 .00954       .0130
PA'          0       0 .73451 .964  .0092
OIA'         0       0 .69336       .0169
OIIA'  -.00408  .13809 .74822       .0224
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View JMOL 3-D Structure (permalink)
 
Merrillite
 
Xie X, Yang H, Gu X, Downs R T
 
American Mineralogist 100 (2015) 2753-2756
Chemical composition and crystal structure of merrillite from the Suizhou meteorite
Locality: Suizhou meteorite
_database_code_amcsd 0020386
10.3444 10.3444 37.0182 90 90 120 R3c
atom      x      y       z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .26876 .14531 .675116       .0157  .0137  .0130  .0082 -.0012 -.0026
Ca2  .27190 .14172 .567556       .0127  .0133  .0107  .0069 -.0002 -.0009
Ca3  .38354 .17613 .768940       .0131  .0126  .0103  .0059 -.0013 -.0002
Na        0      0  .81343  .98  .0267  .0267  .0300  .0134      0      0
Mg        0      0 -.00066 .952  .0113  .0113  .0100  .0056      0      0
Fe        0      0 -.00066 .048  .0113  .0113  .0100  .0056      0      0
P1        0      0  .73382       .0110  .0110  .0120 .00548      0      0
P2   .31245 .13793 .865089       .0107  .0115  .0103  .0055  .0000  .0007
P3   .34393 .15077 .968934       .0104  .0110  .0096  .0051  .0002  .0006
O1        0      0  .69277       .0148  .0148  .0120  .0074      0      0
O2   -.0040  .1384  .74754       .0165  .0137  .0223  .0095  .0045 -.0017
O3    .2576  .0803  .82653       .0165  .0171  .0111  .0067  .0005 -.0006
O4    .2421  .2273  .87922       .0186  .0202  .0142  .0125  .0038  .0028
O5    .2767 -.0008  .88802       .0132  .0119  .0111  .0052  .0009  .0017
O6    .4850  .2392  .86724       .0117  .0118  .0126  .0051  .0008  .0008
O7    .3784  .1809  .00923       .0123  .0157  .0092  .0063 -.0022 -.0007
O8    .3969  .0427  .95653       .0162  .0182  .0134  .0102 -.0005 -.0026
O9    .4208  .2997  .94880       .0175  .0143  .0133  .0047  .0003  .0026
O10   .1741  .0767  .96191       .0101  .0142  .0104  .0053 -.0016 -.0006
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View JMOL 3-D Structure (permalink)
 
Merrillite
 
Dowty E
 
Earth and Planetary Science Letters 35 (1977) 347-351
Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals
Locality: Angra Dos Reis meteorite
_database_code_amcsd 0018313
10.362 10.362 37.106 90 90 120 R3c
atom         x     y     z occ Biso
Mg           0     0     0 .78  .49
Fe           0     0     0 .22  .49
Ca(IB)   .2700 .1241 .1753     1.20
Ca(IIA)      0     0 .3141 .45  1.5
Ca(IIB1) .2725 .1308 .0681      .60
Ca(IIB2) .1261 .2830 .4359      .65
P(A)         0     0 .2348      .77
P(B1)    .3125 .1744 .3658      .66
P(B2)    .1821 .3222 .1358      .53
O(IA)        0     0 .1935      1.7
O(IB1)   .2612 .1788 .3268     1.74
O(IB2)   .1517 .2886 .1764     1.11
O(IIA)   .1422 .1381 .2484     1.71
O(IIB1)  .2417 .0145 .3798     1.52
O(IIB2)  .2887 .2686 .1237     1.00
O(IIB3)  .2764 .2772 .3885      .95
O(IIB4)  .0322 .2453 .1161     1.29
O(IIB5)  .0920 .1798 .0353     1.11
O(IIB6)  .1761 .0994 .4622      .77
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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