American Mineralogist Crystal Structure Database

3 matching records for this search.

Surinamite
Download hom/surinamite.pdf
Moore P B, Araki T
Download am/vol68/AM68_804.pdf
American Mineralogist 68 (1983) 804-810
Surinamite, ca. Mg3Al4Si3BeO16: its crystal structure and relation to
sapphirine, ca. Mg2.8Al7.2Si1.2O16
_database_code_amcsd 0000907
9.916 11.384 9.631 90 109.3 90 P2/n
atom      x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1  .47718 .65733 .25876 .589 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002
Fe1  .47718 .65733 .25876 .411 0.0072 0.0093 0.0072 -.0011 0.0035 0.0002
Al2  .50124 .37756 .26827 .853 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003
Fe2  .50124 .37756 .26827 .147 0.0060 0.0066 0.0075 -.0003 0.0035 -.0003
Al3  .50226 .11446 .25443 .946 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004
Fe3  .50226 .11446 .25443 .054 0.0054 0.0055 0.0059 -.0001 0.0027 -.0004
Al4     .25 .25314    .25      0.0085 0.0108 0.1080      0 0.0050      0
Mg5     .25 .96665    .25 .957 0.0037 0.0063 0.0065      0 0.0027      0
Fe5     .25 .96665    .25 .043 0.0037 0.0063 0.0065      0 0.0027      0
Al6     .75 .51164    .25      0.0064 0.0087 0.0071      0 0.0020      0
Mg7     .75 .25546    .25 .799 0.0046 0.0055 0.0096      0 0.0045      0
Fe7     .75 .25546    .25 .201 0.0046 0.0055 0.0096      0 0.0045      0
Mg8     .75 .97460    .25 .950 0.0038 0.0058 0.0063      0 0.0027      0
Fe8     .75 .97460    .25 .050 0.0038 0.0058 0.0063      0 0.0027      0
Al9       0     .5     .5      0.0048 0.0078 0.0059 -.0002 0.0017 0.0001
Be1  .32307 .75235 .45592 .945 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004
Si1  .32307 .75235 .45592 .055 0.0062 0.0063 0.0062 -.0005 0.0022 0.0004
Si2  .07671 .88380 .44821      0.0073 0.0084 0.0071 0.0000 0.0032 0.0001
Si3  .30678 .50165 .43709      0.0074 0.0096 0.0070 -.0002 0.0029 0.0002
Si4  .56917 .88011 .44754      0.0074 0.0078 0.0066 0.0003 0.0029 -.0001
Al5  .82994 .74462 .45244 .941 0.0051 0.0047 0.0043 0.0003 0.0022 -.0003
O1   .11631 .99878 .37095      0.0072 0.0088 0.0088 -.0001 0.0038 0.0007
O2   .61382 .99424 .37191      0.0079 0.0087 0.0089 0.0005 0.0037 0.0010
O3   .87706 .11366 .37042      0.0073 0.0092 0.0075 -.0002 0.0032 0.0003
O4   .37628 .11562 .37104      0.0073 0.0087 0.0074 -.0002 0.0026 0.0003
O5   .90335 .86355 .38761      0.0070 0.0089 0.0085 -.0003 0.0023 0.0012
O6   .39954 .85556 .38810      0.0071 0.0108 0.0076 -.0011 0.0022 0.0014
O7   .61041 .24671 .36210      0.0073 0.0100 0.0083 -.0007 0.0035 0.0014
O8   .64425 .76573 .39752      0.0080 0.0088 0.0105 0.0002 0.0037 -.0008
O9   .10811 .25065 .35473      0.0072 0.0110 0.0071 -.0001 0.0025 0.0000
O10  .14913 .76935 .40286      0.0087 0.0095 0.0101 0.0002 0.0041 -.0015
O11  .35898 .62573 .39176      0.0091 0.0104 0.0094 -.0010 0.0035 0.0005
O12  .37027 .39285 .36854      0.0084 0.0129 0.0079 -.0001 0.0017 -.0008
O13  .88120 .61981 .37314      0.0072 0.0096 0.0075 0.0000 0.0026 -.0001
O14  .88412 .40015 .35382      0.0077 0.0098 0.0071 -.0008 0.0029 -.0004
O15  .63209 .50572 .37948      0.0085 0.0109 0.0096 0.0011 0.0037 -.0005
O16  .12767 .49848 .38191      0.0090 0.0111 0.0091 -.0004 0.0036 -.0004
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Surinamite
Download hom/surinamite.pdf
Barbier J, Grew E S, Halenius E, Halenius U, Yates M G
Download am/vol87/AM87_501.pdf
American Mineralogist 87 (2002) 501-513
The role of iron and cation order in the crystal chemistry of surinamite,
(Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic,
and optical spectroscopic study
_database_code_amcsd 0002765
9.915 11.368 9.617 90 109.30 90 P2/n
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Mg1  .47690 .65771 .25890 .57       .00647 .00902 .00517 -.00087 .00189  .00020
Fe1  .47690 .65771 .25890 .43       .00647 .00902 .00517 -.00087 .00189  .00020
Fe2  .50136 .37756 .26862 .23       .00525 .00683 .00629 -.00034 .00209 -.00018
Al2  .50136 .37756 .26862 .77       .00525 .00683 .00629 -.00034 .00209 -.00018
Fe3  .50233 .11433 .25462 .12        .0055  .0071 .00549  .00005 .00173  .00019
Al3  .50233 .11433 .25462 .88        .0055  .0071 .00549  .00005 .00173  .00019
Mg4     .25 .25304    .25 .91        .0054  .0078  .0065       0  .0027       0
Fe4     .25 .25304    .25 .09        .0054  .0078  .0065       0  .0027       0
Mg5     .25 .96605    .25 .89        .0050  .0086  .0057       0  .0016       0
Fe5     .25 .96605    .25 .11        .0050  .0086  .0057       0  .0016       0
Fe6     .75 .51185    .25 .03        .0051  .0072  .0051       0  .0006       0
Al6     .75 .51185    .25 .97        .0051  .0072  .0051       0  .0006       0
Mg7     .75 .25557    .25 .72        .0053  .0067  .0081       0  .0031       0
Fe7     .75 .25557    .25 .28        .0053  .0067  .0081       0  .0031       0
Mg8     .75 .97415    .25 .88        .0050  .0079  .0059       0  .0016       0
Fe8     .75 .97415    .25 .12        .0050  .0079  .0059       0  .0016       0
Fe9       0     .5     .5 .06        .0057  .0074  .0042   .0001  .0007  -.0004
Al9       0     .5     .5 .94        .0057  .0074  .0042   .0001  .0007  -.0004
Be1   .3237 .75235 .45699 .97        .0034  .0064  .0044   .0002  .0005   .0007
Si1   .3237 .75235 .45699 .03        .0034  .0064  .0044   .0002  .0005   .0007
Si2  .07701 .88375 .44837           .00431 .00617 .00316 -.00002 .00093  .00009
Al3  .30667 .50194 .43710 .03       .00460 .00664 .00332 -.00015 .00092 -.00018
Si3  .30667 .50194 .43710 .97       .00460 .00664 .00332 -.00015 .00092 -.00018
Si4  .56921 .87998 .44768           .00435 .00618 .00304  .00024 .00087  .00007
Be5  .83025 .74469 .45266 .03        .0045  .0053 .00331  .00020 .00105 -.00005
Al5  .83025 .74469 .45266 .97        .0045  .0053 .00331  .00020 .00105 -.00005
O1   .11660 .99888 .37094            .0058  .0078  .0058  -.0001  .0023   .0008
O2   .61422 .99433 .37211            .0061  .0071  .0060   .0000  .0024  -.0012
O3   .87653 .11306 .37006            .0056  .0082  .0038  -.0002  .0010  -.0004
O4   .37590 .11535 .37102            .0057  .0083  .0039   .0002  .0012   .0000
O5   .90338 .86363 .38764            .0055  .0074  .0059   .0001  .0013   .0013
O6   .39921 .85516 .38787            .0047  .0089  .0058   .0006  .0006  -.0011
O7   .61033 .24682 .36261            .0056  .0096  .0045   .0007  .0013   .0000
O8   .64468 .76550 .39776            .0059  .0081  .0071   .0003  .0029   .0000
O9   .10797 .25107 .35475     .0062
O10  .14979 .76909 .40325     .0070
O11  .35862 .62618 .39168     .0070
O12  .37004 .39300 .36835            .0067  .0085  .0062  -.0002  .0011   .0008
O13  .88128 .61979 .37268            .0058  .0067  .0055   .0003  .0010  -.0005
O14  .88404 .40002 .35400            .0060  .0069  .0049   .0002  .0013   .0003
O15  .63220 .50604 .37974            .0069  .0106  .0040   .0003  .0018   .0002
O16  .12766 .49863 .38238            .0056  .0092  .0056  -.0006  .0020  -.0005
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Surinamite
Download hom/surinamite.pdf
Barbier J
 
European Journal of Mineralogy 10 (1998) 1283-1293
Crystal structures of sapphirine and surinamite analogues
in the MgO-Ga2O3-GeO2 system
_database_code_amcsd 0006762
10.320 23.733 10.073 90 110.29 90 C2/c
atom      x      y      z  occ  Uiso
MgM1 .24188 .67830 .25739      .0076
MgM2 .74714 .30994 .25797  .23 .0058
GaM2 .74714 .30994 .25797  .77 .0058
MgM3 .74956 .44184 .24757 .707 .0061
GaM3 .74956 .44184 .24757 .293 .0061
MgM4     .5 .37343    .25 .724 .0059
GaM4     .5 .37343    .25 .276 .0059
MgM5      0 .00872    .25 .982 .0061
GaM5      0 .00872    .25 .018 .0061
MgM6      0 .24589    .25 .102 .0061
GaM6      0 .24589    .25 .898 .0061
MgM7      0 .37130    .25 .946 .0061
GaM7      0 .37130    .25 .054 .0061
MgM8      0 .50743    .25      .0067
MgM9    .25    .75      0  .45 .0061
GaM9    .25    .75      0  .55 .0061
GaT1 .07166 .62521 .45180  .69 .0059
GeT1 .07166 .62521 .45180  .31 .0059
GeT2 .82157 .55758 .44458      .0053
GaT3 .05810 .75353 .43447  .27 .0060
GeT3 .05810 .75353 .43447  .73 .0060
GeT4 .32558 .55844 .44628      .0052
GaT5 .57409 .62866 .44796      .0056
O1    .8737  .5011  .3680      .0082
O2    .3752  .5018  .3683      .0078
O3    .8796  .5604  .6307      .0076
O4    .3801  .5602  .6331      .0077
O5    .1400  .0657  .3846      .0078
O6    .1423  .5659  .3838      .0087
O7    .8660  .3734  .3579      .0077
O8    .3843  .6211  .3875      .0076
O9    .6326  .3725  .1412      .0080
O10  -.1167  .6201  .3869      .0086
O11   .1191  .6894  .3809      .0087
O12   .3768  .3108  .1351      .0088
O13   .8706  .1900  .1305      .0082
O14   .8694  .3022  .1462      .0086
O15   .8761  .2454  .3736      .0094
O16   .6287  .2490  .1261      .0087
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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