American Mineralogist Crystal Structure Database

26 matching records for this search.

Zircon
Download hom/zircon.pdf
Robinson K, Gibbs G V, Ribbe P H
Download am/vol56/AM56_782.pdf
American Mineralogist 56 (1971) 782-790
The structure of zircon: A comparison with garnet
_database_code_amcsd 0000237
6.607 6.607 5.982 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125 .00096 .00096  .0012      0      0      0
Si   0   .75  .625  .0014  .0014  .0027      0      0      0
O    0 .0661 .1953  .0037  .0031  .0029      0      0      0
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Zircon
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Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 1, 1 atm - before P
_database_code_amcsd 0000697
6.6042 6.6042 5.9796 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2)  B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125 .00171 .00171  .00161      0      0      0
Si   0   .25  .375 .00191 .00191 .001857      0      0      0
O    0 .0660 .1951  .0048  .0022   .0020      0      0 -.0006
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Zircon
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Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 1, P = 9.8 kbar
_database_code_amcsd 0000698
6.5927 6.5927 5.9742 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0017  .0017  .0023      0      0      0
Si   0   .25  .375  .0031  .0031  .0022      0      0      0
O    0 .0661 .1962  .0038  .0043  .0020      0      0  .0010
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Zircon
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Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 2, P = 17.4 kbar
_database_code_amcsd 0000699
6.5849 6.5849 5.9693 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0013  .0013  .0023      0      0      0
Si   0   .25  .375  .0020  .0020  .0028      0      0      0
O    0 .0666 .1963  .0054  .0040  .0029      0      0 -.0011
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Zircon
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Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 2, P = 23.2 kbar
_database_code_amcsd 0000700
6.5808 6.5808 5.9670 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0018  .0018  .0020      0      0      0
Si   0   .25  .375  .0021  .0021  .0028      0      0      0
O    0 .0657 .1951  .0055  .0038  .0029      0      0  .0014
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Zircon
Download hom/zircon.pdf
Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 1, P = 28.9 kbar
_database_code_amcsd 0000701
6.5737 6.5737 5.9638 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0017  .0017  .0012      0      0      0
Si   0   .25  .375  .0025  .0025  .0023      0      0      0
O    0 .0654 .1954  .0033  .0029  .0020      0      0 -.0001
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Zircon
Download hom/zircon.pdf
Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 2, P = 37.1 kbar
_database_code_amcsd 0000702
6.5650 6.5650 5.9583 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0019  .0019  .0020      0      0      0
Si   0   .25  .375  .0024  .0024  .0021      0      0      0
O    0 .0656 .1961  .0042  .0040  .0025      0      0  .0012
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Zircon
Download hom/zircon.pdf
Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 2, P = 42.0 kbar
_database_code_amcsd 0000703
6.5592 6.5592 5.9553 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0018  .0018  .0027      0      0      0
Si   0   .25  .375  .0028  .0028  .0027      0      0      0
O    0 .0656 .1960  .0053  .0040  .0043      0      0  .0001
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Zircon
Download hom/zircon.pdf
Hazen R M, Finger L W
Download am/vol64/AM64_196.pdf
American Mineralogist 64 (1979) 196-201
Crystal structure and compressibility of zircon at high pressure
crystal No. 2, P = 48.1 kbar
_database_code_amcsd 0000704
6.5531 6.5531 5.9519 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   0   .75  .125  .0018  .0018  .0021      0      0      0
Si   0   .25  .375  .0017  .0017  .0040      0      0      0
O    0 .0659 .1956  .0040  .0021  .0055      0      0 -.0014
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Zirconolite
Download hom/zirconolite.pdf
Mazzi F, Munno R
Download am/vol68/AM68_262.pdf
American Mineralogist 68 (1983) 262-276
Calciobetafite (new mineral of the pyrochlore group) and related minerals from
Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite:
comparison with pyrochlore and zirconolite
Note: polytype zirconolite-3O
Locality: Campi Flegrei, Italy
_database_code_amcsd 0000892
10.148 14.147 7.278 90 90 90 Acam
atom      x      y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1     .75 .11594   .25 .529      0.0014 0.0009 0.0029      0 0.0002      0
Na1     .75 .11594   .25 .045      0.0014 0.0009 0.0029      0 0.0002      0
Th1     .75 .11594   .25 .017      0.0014 0.0009 0.0029      0 0.0002      0
Ce1     .75 .11594   .25 .409      0.0014 0.0009 0.0029      0 0.0002      0
Zr1  .01505 .23319    .5           0.0013 0.0005 0.0033 -.0001      0      0
Ti1       0      0     0 .517      0.0015 0.0009 0.0049 -.0001      0      0
Nb1       0      0     0 .469      0.0015 0.0009 0.0049 -.0001      0      0
Ta1       0      0     0 .014      0.0015 0.0009 0.0049 -.0001      0      0
Ti2     .25 .13323   .25 .878      0.0013 0.0008 0.0026      0 0.0002      0
Nb2     .25 .13323   .25 .119      0.0013 0.0008 0.0026      0 0.0002      0
Ta2     .25 .13323   .25 .003      0.0013 0.0008 0.0026      0 0.0002      0
Fe1       0      0 .4306 .462      0.0051 0.0016 0.0120 0.0021      0      0
Fe2    .039   .015    .5 .029  0.3
O1    .1259  .0333 .1903           0.0016 0.0011 0.0063 0.0002 -.0011 -.0001
O2    .1197  .2331 .2104           0.0017 0.0009 0.0064 0.0005 -.0004 0.0003
O3   -.1007  .1089    .5           0.0021 0.0008 0.0066 -.0002      0      0
O4   -.0904  .1295     0           0.0025 0.0009 0.0039 -.0002      0      0
O5    .1799  .1396    .5           0.0024 0.0016 0.0027 0.0006      0      0
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: pure zircon #38
_database_code_amcsd 0002643
6.6102 6.6102 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0657 .1961   .010   .006   .003      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy (15)
_database_code_amcsd 0002644
6.6139 6.6139 5.985 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1954   .012   .009   .008      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy (12)
_database_code_amcsd 0002645
6.6175 6.6175 5.989 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1955   .011   .007   .007      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Sm+P (28)
_database_code_amcsd 0002646
6.6119 6.6119 5.983 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1953   .009   .006   .006      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Gd+P (30)
_database_code_amcsd 0002647
6.6213 6.6213 5.9879 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0660 .1959   .008   .006   .005      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy+P (33)
_database_code_amcsd 0002648
6.626 6.626 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0664 .1963   .008   .005   .005      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Er+P (36)
_database_code_amcsd 0002649
6.6355 6.6355 5.989 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0663 .1964   .010   .007   .006      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Yb+P (40)
_database_code_amcsd 0002650
6.6265 6.6265 5.979 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0664 .1965   .009   .006   .006      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Y+P (43)
_database_code_amcsd 0002651
6.6329 6.6329 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0663 .1964   .008   .007   .006      0      0   .000
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Zircon
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Kolesov B A, Geiger C A, Armbruster T
 
European Journal of Mineralogy 13 (2001) 939-948
The dynamic properties of zircon studied by single-crystal X-ray
diffraction and Raman spectroscopy
_database_code_amcsd 0006906
6.6039 6.6039 5.9783 90 90 90 *I4_1/amd
0 -.25 .125
atom x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zr   0    3/4    1/8 .303 .00364 .00364 .00427      0      0      0
Si   0    3/4    5/8 .319 .00402 .00402  .0041      0      0      0
O    0 .06586 .19533 .518  .0093  .0045  .0058      0      0 -.0008
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Zircon
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Wyckoff W, Hendricks S
 
Zeitschrift fur Kristallographie 66 (1927) 73-102
Die Kristallstruktur von Zirkon und die Kriterien fur spezielle Lagen
in tetragonalen Raumgruppen.
_cod_database_code 1011263
_database_code_amcsd 0018123
6.6 6.6 5.88 90 90 90 I4_1/amd
atom x  y   z
Zr1  0  0   0
Si1  0  0  .5
O1   0 .2 .34
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Zirconium
 
Wyckoff R W G
 
Crystal Structures 1 (1963) 7-83
Second edition. Interscience Publishers, New York, New York
Hexagonal closest packed, hcp, structure
_database_code_amcsd 0011201
3.232 3.232 5.147 90 90 120 P6_3/mmc
atom   x   y   z
Zr   1/3 2/3 .25
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Zirconium
 
Wyckoff R W G
 
Crystal Structures 1 (1963) 7-83
Second edition. Interscience Publishers, New York, New York
Sample at 1123 K
Body centered cubic, bcc, structure
_database_code_amcsd 0011237
3.62 3.62 3.62 90 90 90 Im3m
atom x y z
Zr   0 0 0
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Zirconolite
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Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L
 
Journal of Solid State Chemistry 174 (2003) 285-295
Structural relations between weberite and zirconolite polytypes - refinements
of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7
Locality: synthetic
Sample: T = 123 K
Note: polytype Zirconolite-3T
_database_code_amcsd 0014037
7.228 7.228 16.805 90 90 120 P3_121
atom      x     y      z  occ  Uiso
CaM1  .8325     0    1/3 .840 .0071
ThM1  .8325     0    1/3 .040 .0071
ZrM1  .8325     0    1/3  .12 .0071
CaM2  .3342     0    1/3 .618 .0096
ThM2  .3342     0    1/3 .262 .0096
ZrM2  .3342     0    1/3  .12 .0096
ZrM3  .1647 .6633 .01782  .96 .0071
CaM3  .1647 .6633 .01782  .04 .0071
TiM4  .3291     0    5/6  .44 .0063
AlM4  .3291     0    5/6  .44 .0063
ZrM4  .3291     0    5/6  .12 .0063
TiM5  .9217  .050  .8319  .26  .016
ZrM5  .9217  .050  .8319  .06  .016
AlM5'  .917  .110   .833  .18  .016
TiM6  .4995 .3323 .16426  .82 .0085
AlM6  .4995 .3323 .16426  .08 .0085
ZrM6  .4995 .3323 .16426  .10 .0085
O1     .600  .629  .1450       .019
O2     .007  .828  .0669       .012
O3     .526  .305  .0469       .007
O4     .192  .218  .1458       .012
O5     .525  .889  .0546       .009
O6     .939  .309  .0548       .008
O7     .211  .616  .1395       .015
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Zircon
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Binks W
 
Mineralogical Magazine 21 (1926) 176-187
The crystalline structure of zircon.
_cod_database_code 1011265
_database_code_amcsd 0018125
6.58 6.58 5.93 90 90 90 I4_1/amd
atom x   y   z
Zr1  0   0   0
Si1  0   0  .5
O1   0 .21 .33
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Zirconolite
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Rossell H J
 
Nature 283 (1980) 282-283
Zirconolite - a fluorite-related superstructure
Locality: Synthetic
Note polytype Zirconolite-2M
_database_code_amcsd 0014676
12.4458 7.2734 11.3942 90 100.533 90 C2/c
atom      x     y      z occ
CaM1  .3718 .1245  .4952
ZrM2  .1225 .1222 -.0258 .93
TiM2  .1225 .1222 -.0258 .07
TiM3  .2498 .1223  .7465
TiM4     .5  .055    .25 .86
ZrM4     .5  .055    .25 .14
TiM5      0  .127    .25
O1     .310  .133   .275
O2     .470  .146   .102
O3     .197  .083   .573
O4     .403  .174   .719
O5     .702  .169   .590
O6    -.001  .111   .414
O7     .119  .055   .788
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Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 26
View in amc, download in amc

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