American Mineralogist Crystal Structure Database

6 matching records for this search.

Vonbezingite
Download hom/vonbezingite.pdf
Dai Y S, Harlow G E
Download am/vol77/AM77_1292.pdf
American Mineralogist 77 (1992) 1292-1300
Description and crystal structure of vonbezingite, a new Ca-Cu-SO4-H2O mineral
from the Kalahari manganese field, South Africa
Locality: Wessels mine, South Africa
_database_code_amcsd 0001543
15.122 14.358 22.063 90 108.68 90 P2_1/c
atom      x     y     z  Uiso
Cu1A  .2556 .8786 .5025 .0134
Cu1B  .7555 .6251 .5036 .0125
Cu2A  .1928 .5400 .7470 .0149
Cu2B  .8221 .9648 .2536 .0161
Cu2C  .6934 .7920 .7475 .0118
Cu2D  .3231 .7189 .2541 .0106
Ca1A  .6622 .6922 .6079 .016
Ca1B  .3509 .8120 .3967 .015
Ca1C  .1581 .9379 .6089 .019
Ca1D -.1550 .5582 .3942 .019
Ca2A  .4481 .8632 .6459 .018
Ca2B  .5557 .8622 .8550 .017
Ca2C -.0515 .8855 .1466 .017
Ca2D  .0558 .8886 .3552 .017
Ca3A  .2310 .6913 .6128 .016
Ca3B  .7792 .8049 .3868 .013
Ca3C  .7284 .9438 .6113 .022
Ca3D  .2713 .5594 .3861 .022
S1A   .9050 .9282 .5335 .010
S1B   .1005 .5740 .4643 .011
S1C   .4048 .6764 .5334 .011
S1D   .6013 .8201 .4677 .010
S2A   .4916 .0145 .7506 .005
S2B   .0029 .7355 .2522 .018
O1A   .7505 .8140 .6810 .028
O1B   .2664 .6918 .3209 .032
O1C   .7708 .9344 .3218 .040
O1D   .2399 .5611 .6768 .047
O2A   .3335 .9401 .4635 .030
O2B   .6748 .5642 .5417 .031
O2C   .1736 .8062 .5393 .041
O2D   .8368 .6938 .4647 .039
O3A   .5832 .7619 .6776 .031
O3B   .4310 .7563 .3239 .041
O3C   .0658 .9953 .6761 .034
O3D  -.0744 .4884 .3213 .038
O4A   .2051 .8210 .4183 .035
O4B   .8079 .6869 .5875 .035
O4C   .3078 .9381 .5861 .039
O4D  -.3006 .5676 .4202 .037
O5A   .3049 .9366 .3172 .035
O5B   .7095 .5665 .6852 .039
O5C   .2089 .8095 .6820 .032
O5D   .8065 .6837 .3205 .036
O6A   .8660 .0085 .6901 .049
O6B   .1255 .5048 .3117 .046
O6C   .3702 .7443 .6835 .025
O6D   .6411 .7428 .3155 .026
O7A   .4620 .5535 .4158 .049
O7B   .4725 .0609 .4232 .032
O7C   .0346  .696 .5881 .056
O7D   .9664 .8010 .4075 .041
O8A   .9964 .8810 .5507 .054
O8B   .0072 .6183 .4434 .054
O8C   .5103 .8729 .4492 .033
O8D   .4986 .6317 .5581 .031
O9A   .8462 .8917 .5666 .036
O9B   .1607 .6150 .4346 .039
O9C   .6644  .867 .4367 .042
O9D   .3381 .6247 .5586 .033
O10A  .8647 .9228 .4601 .033
O10B  .1358 .5800 .5384 .036
O10C  .6463 .8250 .5351 .036
O10D  .3713 .6680 .4658 .040
O11A  .0838 .9709 .4516 .027
O11B  .0918 .4732 .4485 .026
O11C  .4114  .774 .5508 .058
O11D  .5825 .7238 .4489 .057
O12A  .4419 .5752 .2512 .042
O12B  .9447 .8195 .2509 .042
O13A  .5162 .0170 .6920 .050
O13B  .0258 .7349 .1923 .053
O14A  .0863 .7420 .3080 .053
O14B  .4257 .5141 .6923 .046
O15A  .5678 .9065 .2464 .052
O15B  .9506 .8496 .7556 .064
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Poldervaartite
Download hom/poldervaartite.pdf
Dai Y S, Harlow G E, McGhie A R
Download am/vol78/AM78_1082.pdf
American Mineralogist 78 (1993) 1082-1087
Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the
Kalahari manganese field, South Africa: Crystal structure and description
_database_code_amcsd 0001615
9.398 9.139 10.535 90 90 90 Pbca
atom       x      y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .15406 .49326 .39021           .0090  .0101  .0084 -.0004  .0007  .0003
Ca2   .51266 .33390 .43048 .67       .0101  .0104  .0098 -.0022 -.0003 -.0004
Mn    .51266 .33390 .43048 .33       .0101  .0104  .0098 -.0022 -.0003 -.0004
Si    .32973 .21515 .65939           .0076  .0075  .0069  .0002 -.0002 -.0004
Oh1    .2518  .3502  .5735            .028  .0104  .0140  .0046 -.0084 -.0005
O2    -.0559  .3590  .4368           .0092  .0145  .0117 -.0019 -.0002 -.0042
O3     .1020  .7101  .2829           .0160  .0134  .0087  .0022  .0045  .0043
Oh4    .3965  .5492  .3980           .0118   .019   .016 -.0012 -.0002  .0063
O5     .2019  .3986  .1893           .0146  .0145  .0129  .0044  .0018 -.0016
H1      .257   .074   .117      .03
H2     -.084   .588   .173      .03
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Minehillite
Download hom/minehillite.pdf
Dai Y S, Post J E, Appleman D E
Download am/vol80/AM80_173.pdf
American Mineralogist 80 (1995) 173-178
Crystal structure of minehillite: Twinning and structural relationships to
reyerite
_database_code_amcsd 0001716
9.777 9.777 33.293 90 90 120 P-3c1
atom      x       y      z  occ  Uiso
K         0       0    .25 .948 .0231
Zn        0  .49431    .25 .802 .0098
Al      1/3     2/3 .25112      .0080
Ca1     1/3     2/3 .11288      .0098
Ca2  .91036  .38794 .11169      .0100
Ca3  .75653 -.05187 .09618      .0113
Si1     2/3     1/3 .03155      .0074
Si2   .7581   .1246 .18744      .0076
Si3   .8727   .2386 .31193      .0071
Si4   .8934   .2080 .02173      .0079
Oh1       0       0  .1229       .015
O2      2/3     1/3  .0793      .0107
Oh3   .1000   .6077 .07794      .0121
O4    .7246  -.0516 .19881      .0129
O5    .5871  -.2682 .14137      .0122
O6    .1729   .5100 .21832      .0104
O7    .2949   .0565 .19824      .0155
O8    .5135   .3478 .21654      .0106
O9    .4103   .2746 .14053      .0118
O10   .2600   .2371 .01397      .0134
O11   .5035   .1897 .01354      .0135
O12   .2654   .0464 .06664      .0136
H1        0       0   .141        .02
H2     .115    .610   .059        .02
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Hillebrandite
Download hom/hillebrandite.pdf
Dai Y S, Post J E
Download am/vol80/AM80_841.pdf
American Mineralogist 80 (1995) 841-844
Crystal structure of hillebrandite: A natural analogue of calcium silicate
hydrate (CSH) phases in Portland cement
_database_code_amcsd 0001745
3.6389 16.311 11.829 90 90 90 Cmc2_1
atom    x     y      z occ  Uiso
Ca1     0 .2164   .064     .0137
Ca2    .5 .3992 -.0479     .0114
Ca3    .5 .0490  .1888     .0118
Si1  .430 .0863 -.1019  .5  .011
Si2    .5 .3727  .2134  .5  .008
OH1     0 .3091 -.0812      .014
O2     .5 .1259  .0198      .013
O3     .5 .4637   .138      .024
O4     .5 .2964  .1251      .019
O5      0 .4890 -.1123      .010
OH6     0 .1370  .2361      .013
O7   .364 .1328  -.205  .5  .014
O8      0  .110  -.127  .5  .014
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Vanadinite
Download hom/vanadinite.pdf
Dai Y S, Hughes J M
Download cm/vol27/CM27_189.pdf
The Canadian Mineralogist 27 (1989) 189-192
Crystal-structure refinements of vanadinite and pyromorphite
_database_code_amcsd 0005225
10.3174 10.3174 7.3378 90 90 120 P6_3/m
atom      x      y     z  Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb1     1/3    2/3 .0077        .0041  .0041  .0025 .00205      0      0
Pb2  .25484 .01209   .25        .0025  .0038  .0073 .00155      0      0
V     .4097  .3840   .25        .0024  .0023  .0007 .00125      0      0
O1     .333   .497   .25 .0032
O2     .599   .485   .25 .0039
O3     .359   .269  .065 .0060
Cl        0      0     0 .0048
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Pyromorphite
Download hom/pyromorphite.pdf
Dai Y S, Hughes J M
Download cm/vol27/CM27_189.pdf
The Canadian Mineralogist 27 (1989) 189-192
Crystal-structure refinements of vanadinite and pyromorphite
_database_code_amcsd 0005226
9.9764 9.9764 7.3511 90 90 120 P6_3/m
atom      x      y     z  Uiso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Pb1     1/3    2/3 .0048        .0032  .0032  .0005   .0016      0      0
Pb2  .25429 .00536   .25        .0021  .0016  .0064   .0008      0      0
P     .4104  .3787   .25        .0007  .0004  .0031 -.00005      0      0
O1     .343   .490   .25 .0032
O2     .590   .475   .25 .0022
O3     .359   .274  .084 .0046
Cl        0      0     0 .0038
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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