American Mineralogist Crystal Structure Database

9 matching records for this search.

Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = 0.00
_database_code_amcsd 0001118
4.749 10.1985 5.9792 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0  .0173  .0078  .0127 -.0007 -.0047 -.0035
Mg2  .9913 .2773   .25  .0606  .0119  .0345 -.0004      0      0
Si   .4261 .0940   .25  .0337  .0104  .0269  .0004      0      0
O1   .7658 .0919   .25  .0397  .0143  .0390 -.0008      0      0
O2    .221 .4470   .25  .0530  .0101  .0404  .0012      0      0
O3   .2774 .1630 .0329  .0508  .0148  .0343  .0029 -.0000  .0053
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Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .30
_database_code_amcsd 0001119
4.7447 10.1993 5.9567 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .464  .0501  .0156  .0314 -.0005 -.0040 -.0025
Ni1      0     0     0 .536  .0501  .0156  .0314 -.0005 -.0040 -.0025
Mg2  .9903 .2761   .25 .936  .0593  .0118  .0381  .0009      0      0
Ni2  .9903 .2761   .25 .064  .0593  .0118  .0381  .0009      0      0
Si   .4257 .0937   .25       .0414  .0110  .0305  .0013      0      0
O1   .7662 .0926   .25       .0473  .0147  .0386  .0019      0      0
O2   .2193 .4461   .25       .0628  .0110  .0416  .0005      0      0
O3   .2761 .1628 .0321       .0629  .0149  .0354  .0005 -.0025  .0049
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Forsterite
Download hom/forsterite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .36
_database_code_amcsd 0001120
4.7437 10.1947 5.9508 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .376  .0252  .0092  .0250 -.0001 -.0033 -.0023
Ni1      0     0     0 .624  .0252  .0092  .0250 -.0001 -.0033 -.0023
Mg2  .9902 .2758   .25   .9  .0351  .0077  .0315  .0008      0      0
Ni2  .9902 .2758   .25   .1  .0351  .0077  .0315  .0008      0      0
Si   .4257 .0935   .25       .0178  .0074  .0247  .0001      0      0
O1   .7667 .0925   .25       .0253  .0118  .0350  .0021      0      0
O2   .2196 .4459   .25       .0371  .0084  .0350 -.0012      0      0
O3   .2759 .1627 .0323       .0371  .0106  .0335 -.0008 -.0030  .0047
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Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .51
_database_code_amcsd 0001121
4.739 10.183 5.943 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .216  .0257  .0103  .0263 -.0001 -.0033 -.0022
Ni1      0     0     0 .784  .0257  .0103  .0263 -.0001 -.0033 -.0022
Mg2  .9906 .2752   .25 .764  .0379  .0090  .0334  .0010      0      0
Ni2  .9906 .2752   .25 .236  .0379  .0090  .0334  .0010      0      0
Si   .4256 .0936   .25       .0189  .0088  .0267  .0005      0      0
O1   .7669 .0932   .25       .0268  .0105  .0370 -.0002      0      0
O2   .2188 .4455   .25       .0353  .0082  .0405  .0012      0      0
O3   .2756 .1627 .0317       .0409  .0122  .0340  .0016 -.0014  .0046
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Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .69
_database_code_amcsd 0001122
4.7352 10.1612 5.9317 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .102  .0269  .0106  .0249 -.0003 -.0031 -.0025
Ni1      0     0     0 .898  .0269  .0106  .0249 -.0003 -.0031 -.0025
Mg2  .9912 .2744   .25 .518  .0332  .0085  .0308  .0007      0      0
Ni2  .9912 .2744   .25 .482  .0332  .0085  .0308  .0007      0      0
Si   .4263 .0938   .25       .0220  .0091  .0240  .0003      0      0
O1   .7675 .0931   .25       .0301  .0119  .0288  .0008      0      0
O2   .2190 .4452   .25       .0372  .0097  .0353 -.0013      0      0
O3   .2750 .1627 .0313       .0386  .0124  .0323  .0005 -.0019  .0041
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Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = .75
_database_code_amcsd 0001123
4.7331 10.1565 5.9285 90 90 90 Pbnm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1      0     0     0 .066  .0232  .0093  .0278 -.0004 -.0032 -.0023
Ni1      0     0     0 .934  .0232  .0093  .0278 -.0004 -.0032 -.0023
Mg2  .9916 .2743   .25 .434  .0287  .0069  .0343  .0006      0      0
Ni2  .9916 .2743   .25 .566  .0287  .0069  .0343  .0006      0      0
Si   .4265 .0938   .25       .0160  .0075  .0290  .0000      0      0
O1   .7678 .0934   .25       .0212  .0102  .0386 -.0002      0      0
O2   .2182 .4452   .25       .0321  .0072  .0425 -.0019      0      0
O3   .2748 .1629 .0311       .0379  .0108  .0319  .0014  .0015  .0017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Bostrom D
Download am/vol72/AM72_965.pdf
American Mineralogist 72 (1987) 965-972
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid
solutions
Sample: XNi2+ = 1.00
_database_code_amcsd 0001124
4.7296 10.1209 5.9150 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ni1      0     0     0  .0306  .0103  .0359 -.0011 -.0042 -.0022
Ni2  .9926 .2738   .25  .0373  .0076  .0374  .0008      0      0
Si   .4273 .0943   .25  .0174  .0086  .0356  .0006      0      0
O1   .7689 .0936   .25  .0269  .0126  .0423  .0032      0      0
O2   .2179 .4451   .25  .0365  .0087  .0454  .0003      0      0
O3   .2737 .1629 .0303  .0393  .0142  .0436  .0019 -.0026  .0054
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CaK2P2O7
 
Sandstrom M, Fischer A, Bostrom D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=139
Acta Crystallographica E59 (2003) i139-i141
CaK2P2O7
_database_code_amcsd 0010413
9.8180 5.6760 13.0060 90 104.220 90 P2_1/n
atom      x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ca   .25171  .23853 .51853 .00852 .00860 .00917 .00784 -.00006 .00212 -.00006
K1   .64355  .73001 .17826 .01786 .01652 .01471  .0235  .00157 .00707 -.00086
K2   .12771  .23766 .14143 .02614 .01418 .01741  .0477  .00060 .00924  .00472
P1   .53029  .24480 .35836 .00791 .00845 .00860 .00708  .00028 .00266 -.00060
P2   .44736  .22007 .12604 .00866 .00877 .00927 .00759  .00049 .00132  .00003
O1   .42978  .23579 .42959  .0181  .0200  .0218  .0166   .0027  .0127   .0020
O2   .62764  .45501 .37887  .0171  .0152  .0124  .0229  -.0033  .0029  -.0056
O3   .60418  .01248 .35197  .0125  .0135  .0104  .0134   .0025  .0032   .0008
O4   .42554   .2964 .24223  .0145  .0122  .0221  .0089   .0062  .0016  -.0017
O5   .39011 -.02855 .10984  .0186  .0187  .0124  .0214  -.0028 -.0014  -.0036
O6   .60300  .23677 .13299  .0155  .0115  .0203  .0163   .0005  .0066   .0017
O7   .35742   .3965 .05331  .0186  .0208  .0186  .0147   .0065  .0008   .0057
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CaKP3O9
 
Sandstrom M, Bostrom D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=15
Acta Crystallographica E60 (2004) i15-i17
Calcium potassium cyclo-triphosphate
_database_code_amcsd 0010420
6.8090 6.8090 10.3760 90 90  120 P-6c2
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      1/3    2/3      0 .01396  .0153  .0153  .0113 .00765      0      0
K       2/3    1/3      0  .0233  .0220  .0220  .0260 .01100      0      0
P    .73221 .96188    .75 .01192  .0098  .0124  .0140 .00589      0      0
O1    .8054  .7734    .75  .0220  .0127  .0127  .0410  .0067      0      0
O2    .6141  .9486 .87205  .0239  .0284  .0230  .0208  .0131  .0106  .0034
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Total number of retrieved datasets: 9
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