American Mineralogist Crystal Structure Database

2 matching records for this search.

Pieczkaite
 
Tait K, Ball N A, Hawthorne F C
 
American Mineralogist 100 (2015) 1047-1052
Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake,
Manitoba, Canada: Description and crystal structure
Locality: Cross Lake, Manitoba, Canada
_database_code_amcsd 0020469
9.504 9.504 6.347 90 90 120 P6_3/m
atom     x     y      z    occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1    1/3   2/3 -.0060   .545 .0137  .0092  .0092  .0203  .0046      0      0
Ca1    1/3   2/3 -.0060   .425 .0137  .0092  .0092  .0203  .0046      0      0
Fe1    1/3   2/3 -.0060    .06 .0137  .0092  .0092  .0203  .0046      0      0
Mn2  .7291 .7532    .25 .77333 .0225   .030  .0186  .0227  .0148      0      0
Fe2  .7291 .7532    .25 .04667 .0225   .030  .0186  .0227  .0148      0      0
Ca2  .7291 .7532    .25    .18 .0225   .030  .0186  .0227  .0148      0      0
P1   .5955 .9725    .25        .0143  .0090  .0066  .0267  .0034      0      0
O1   .6486 .1527    .25        .0186   .018   .007   .027   .003      0      0
O2   .4081 .8675    .25        .0226   .006   .009   .050   .002      0      0
O3   .6565 .9219  .0564        .0243   .029   .021   .029   .018   .001  -.001
Cl1      0     0  .2179    .36  .021
OH1      0     0  .2179    .14  .021
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View JMOL 3-D Structure (permalink)
 
Pieczkaite
 
Engel G, Pretzsch J, Gramlich V, Baur W H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=31&spage=1854
Acta Crystallographica B31 (1975) 1854-1860
The crystal structure of hydrothermally grown manganese chlorapatite,
Mn5(PO4)3Cl0.9(OH)0.1
Locality: synthetic
_database_code_amcsd 0020231
9.532 9.532 6.199 90 90 120 P6_3/m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1     1/3    2/3 .00672      .0118  .0118  .0076  .0059      0      0
Mn2  .27763 .03415    .25      .0128  .0102  .0096  .0051      0      0
P    .40676 .38085    .25      .0075  .0072  .0079  .0042      0      0
O1   .36003 .51276    .25      .0131  .0105  .0109  .0084      0      0
O2   .59621 .45779    .25      .0080  .0100  .0137  .0044      0      0
O3   .34343 .26841 .05128      .0151  .0104  .0096  .0069 -.0028 -.0022
Cl        0      0    .25  .9  .0116  .0116  .0255  .0058      0      0
OH        0      0    .25  .1  .0116  .0116  .0255  .0058      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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