American Mineralogist Crystal Structure Database

48 matching records for this search.

Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 298 K
_database_code_amcsd 0003801
8.3291 8.3291 8.3291 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0079
Cr       .5     .5     .5 .0077
O     .2666  .2666  .2666 .0083
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 393 K
_database_code_amcsd 0003802
8.3330 8.3330 8.3330 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0093
Cr       .5     .5     .5 .0096
O     .2666  .2666  .2666 .0100
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 463 K
_database_code_amcsd 0003803
8.3391 8.3391 8.3391 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0097
Cr       .5     .5     .5 .0097
O     .2662  .2662  .2662 .0101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 613 K
_database_code_amcsd 0003804
8.3456 8.3456 8.3456 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0099
Cr       .5     .5     .5 .0096
O     .2665  .2665  .2665 .0098
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 702 K
_database_code_amcsd 0003805
8.3519 8.3519 8.3519 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0102
Cr       .5     .5     .5 .0099
O     .2648  .2648  .2648 .0102
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 788 K
_database_code_amcsd 0003806
8.3588 8.3588 8.3588 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0103
Cr       .5     .5     .5 .0101
O     .2642  .2642  .2642 .0109
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 901 K
_database_code_amcsd 0003807
8.3654 8.3654 8.3654 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0105
Cr       .5     .5     .5 .0103
O     .2669  .2669  .2669 .0107
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 994 K
_database_code_amcsd 0003808
8.3716 8.3716 8.3716 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0109
Cr       .5     .5     .5 .0102
O     .2648  .2648  .2648 .0109
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1072 K
_database_code_amcsd 0003809
8.3777 8.3777 8.3777 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0111
Cr       .5     .5     .5 .0105
O     .2675  .2675  .2675 .0111
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1162 K
_database_code_amcsd 0003810
8.3834 8.3834 8.3834 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0112
Cr       .5     .5     .5 .0105
O     .2676  .2676  .2676 .0108
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincochromite
Download hom/zincochromite.pdf
Levy D, Diella V, Pavese A, Dapiaggi M, Sani A
Download am/vol90/AM90_1157.pdf
American Mineralogist 90 (2005) 1157-1162
P-V equation of state, thermal expansion, and P-T stability of
synthetic zincochromite (ZnCr2O4 spinel)
Sample: T = 1236 K
_database_code_amcsd 0003811
8.3880 8.3880 8.3880 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
Zn     .125   .125   .125 .0117
Cr       .5     .5     .5 .0106
O     .2650  .2650  .2650 .0106
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincalstibite
 
Bonaccorsi E, Merlino S, Orlandi P
Download am/vol92/AM92_198.pdf
American Mineralogist 92 (2007) 198-203
Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
relationships
Locality: Lucchetti marble quarry, Fantiscritti marble basin, Carrara, Apuan
Alps, Tuscany, Italy
_database_code_amcsd 0004273
5.3270 5.3270 9.792 90 90 120 P-3
atom     x    y      z occ Uiso
Zn     1/3  2/3  .5002 .81 .012
Al     1/3  2/3  .5002 .19 .012
Al       0    0     .5 .63 .008
Zn       0    0     .5 .37 .008
Sb       0    0      0     .017
O1    .317 .319  .3977     .011
O2   -.137 .207 -.1198     .026
H1    .336 .348   .308      .05
H2   -.289 .186  -.103      .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincite
Download hom/zincite.pdf
Kihara K, Donnay G
Download cm/vol23/CM23_647.pdf
The Canadian Mineralogist 23 (1985) 647-654
Anharmonic thermal vibrations in ZnO
Model: 2-c, at T = 293 K
_database_code_amcsd 0005203
3.2494 3.2494 5.2038 90 90 120 P6_3mc
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn   1/3 2/3     0  .0182  .0182  .0054  .0091      0      0
O    1/3 2/3 .3821  .0181  .0181  .0054 .00905      0      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Zincite
Download hom/zincite.pdf
Kihara K, Donnay G
Download cm/vol23/CM23_647.pdf
The Canadian Mineralogist 23 (1985) 647-654
Anharmonic thermal vibrations in ZnO
Model: 2-c, at T = 473 K
_database_code_amcsd 0005204
3.2533 3.2533 5.2073 90 90 120 P6_3mc
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn   1/3 2/3     0  .0280  .0280  .0083  .0140      0      0
O    1/3 2/3 .3820  .0261  .0261  .0076 .01305      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)
 
Zincite
Download hom/zincite.pdf
Kihara K, Donnay G
Download cm/vol23/CM23_647.pdf
The Canadian Mineralogist 23 (1985) 647-654
Anharmonic thermal vibrations in ZnO
Model: 3-c, at T = 293 K
_database_code_amcsd 0005205
3.2494 3.2494 5.2038 90 90 120 P6_3mc
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn   1/3 2/3     0  .0183  .0183  .0054 .00915      0      0
O    1/3 2/3 .3830  .0182  .0182  .0054  .0091      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)
 
Zincite
Download hom/zincite.pdf
Kihara K, Donnay G
Download cm/vol23/CM23_647.pdf
The Canadian Mineralogist 23 (1985) 647-654
Anharmonic thermal vibrations in ZnO
Model: 3-c, at T = 473 K
_database_code_amcsd 0005206
3.2533 3.2533 5.2073 90 90 120 P6_3mc
atom   x   y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn   1/3 2/3     0  .0278  .0278  .0082  .0139      0      0
O    1/3 2/3 .3778  .0259  .0259  .0074 .01295      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zinczippeite
Download hom/zinczippeite.pdf
Burns P C, Deely K M, Hayden L A
Download cm/vol41/CM41_687.pdf
The Canadian Mineralogist 41 (2003) 687-706
The crystal chemistry of the zippeite group
Sample: Zinc-zippeite
_database_code_amcsd 0005852
8.6437 14.1664 17.701 90 104.041 90 C2/m
atom         x     y      z Uiso
U(1)     .6667 .2320  .3347 .017
U(2)     .3332 .2682  .1650 .016
S(1)         0 .2638      0 .032
S(2)         0 .2508     .5 .006
Zn(1)    .6907    .5  .3768 .033
Zn(2)    .3095     0  .1207 .039
O(1)     .8760 .1891  .4526 .015
O(2)    -.1150 .3206 -.0541 .027
O(3)     .3950 .2391  .2947 .020
O(4)    -.0750 .1982  .0488 .017
O(5)     .9320 .3155  .5500 .024
O(6)     .6030 .2392  .2058 .016
O(7)     .6470 .1046  .3186 .023
O(8)     .3400 .3930  .1825 .027
O(9)     .3260 .1417  .1387 .017
O(10)    .6990 .3560  .3688 .024
Wat(11)  .7130    .5  .4919 .026
Wat(12)  .3500     0  .0089 .035
Wat(13)  .5510     0  .1546 .024
Wat(14)  .4540    .5  .3217 .037
Wat(15)  .9350    .5  .3903 .032
Wat(16)  .1730     0  .2412 .045
Wat(17)  .0680     0  .0762 .031
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zinczippeite
Download hom/zinczippeite.pdf
Burns P C, Deely K M, Hayden L A
Download cm/vol41/CM41_687.pdf
The Canadian Mineralogist 41 (2003) 687-706
The crystal chemistry of the zippeite group
Sample: Zinc-zippeite
_database_code_amcsd 0005852
8.6437 14.1664 17.701 90 104.041 90 C2/m
atom         x     y      z Uiso
U(1)     .6667 .2320  .3347 .017
U(2)     .3332 .2682  .1650 .016
S(1)         0 .2638      0 .032
S(2)         0 .2508     .5 .006
Zn(1)    .6907    .5  .3768 .033
Zn(2)    .3095     0  .1207 .039
O(1)     .8760 .1891  .4526 .015
O(2)    -.1150 .3206 -.0541 .027
O(3)     .3950 .2391  .2947 .020
O(4)    -.0750 .1982  .0488 .017
O(5)     .9320 .3155  .5500 .024
O(6)     .6030 .2392  .2058 .016
O(7)     .6470 .1046  .3186 .023
O(8)     .3400 .3930  .1825 .027
O(9)     .3260 .1417  .1387 .017
O(10)    .6990 .3560  .3688 .024
Wat(11)  .7130    .5  .4919 .026
Wat(12)  .3500     0  .0089 .035
Wat(13)  .5510     0  .1546 .024
Wat(14)  .4540    .5  .3217 .037
Wat(15)  .9350    .5  .3903 .032
Wat(16)  .1730     0  .2412 .045
Wat(17)  .0680     0  .0762 .031
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View JMOL 3-D Structure (permalink)
 
Zincostaurolite
 
Chopin C, Goffe B, Ungaretti L, Oberti R
 
European Journal of Mineralogy 15 (2003) 167-176
Magnesiostaurolite and zincostaurolite: mineral description with a petrogenetic
and crystal-chemical update
_database_code_amcsd 0006962
7.853 16.534 5.639 90 90.00 90 C2/m
atom      x     y     z    occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
AlM1A   1/2 .1736     0         .51  .0018  .0005  .0041      0  .0005      0
AlM1B   1/2 .1736   1/2         .54  .0018  .0006  .0044      0  .0005      0
AlM2  .2633 .4104 .2502  .9975  .62  .0017  .0006   .006 -.0001  .0004      0
TiM2  .2633 .4104 .2502  .0025  .62  .0017  .0006   .006 -.0001  .0004      0
AlM3A     0     0     0  .4875  .48  .0011  .0005   .005      0  .0012      0
MgM3A     0     0     0  .0225  .48  .0011  .0005   .005      0  .0012      0
AlM3B     0     0   1/2  .4875  .39  .0012  .0004  .0034      0 -.0001      0
MgM3B     0     0   1/2  .0225  .39  .0012  .0004  .0034      0 -.0001      0
FeM4A   1/2     0     0  .0325  .48
MgM4A   1/2     0     0   .025  .48
FeM4B   1/2     0   1/2  .0325  .96
MgM4B   1/2     0   1/2   .025  .96
SiT1  .1341 .1665 .2500         .43  .0012  .0004  .0041      0  .0004      0
ZnT2  .3891     0 .2496  .6125 1.04  .0032  .0005  .0137      0  .0004      0
LiT2  .3891     0 .2496  .1275 1.04  .0032  .0005  .0137      0  .0004      0
FeT2  .3891     0 .2496    .05 1.04  .0032  .0005  .0137      0  .0004      0
OH1A  .2337     0 .9670 .45875  .71  .0027  .0005  .0075      0  .0014      0
O1A   .2337     0 .9670 .54125  .71  .0027  .0005  .0075      0  .0014      0
OH1B  .2342     0 .5321 .45875  .68  .0027  .0005  .0068      0 -.0002      0
O1B   .2342     0 .5321 .54125  .68  .0027  .0005  .0068      0 -.0002      0
O2A   .2551 .1616 .0153         .53  .0018  .0006   .004      0  .0004 -.0002
O2B   .2552 .1617 .4848         .55  .0019  .0006  .0045      0  .0003  .0001
O3    .0018 .0890 .2493         .70  .0014  .0006   .009 -.0001  .0004      0
O4    .0214 .2498 .2500         .50  .0018  .0005  .0043  .0002  .0008      0
O5    .5271 .0988 .2502         .52  .0014  .0006  .0045      0  .0006      0
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Zincroselite
Download hom/zincroselite.pdf
Keller P, Lissner F, Schleid T
 
European Journal of Mineralogy 16 (2004) 353-359
The crystal structures of zincroselite and gaitite: Two natural
polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia
Locality: Tsumeb, Namibia
_database_code_amcsd 0007062
5.827 12.899 5.646 90 107.69 90 P2_1/c
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA   .5625 .12160  .2295     .0111  .0098  .0120  .0120 -.0010  .0039 -.0016
ZnM       0      0      0 .86 .0142  .0118  .0150  .0150  .0002  .0026 -.0039
MgM       0      0      0 .14 .0142  .0118  .0150  .0150  .0002  .0026 -.0039
AsX  .21853 .12058 .56501     .0093  .0089  .0097  .0089  .0001  .0020  .0002
O1    .2843  .0540  .8375     .0148  .0112  .0146  .0179  .0035  .0033  .0007
O2    .2396  .0358  .3423     .0127  .0120  .0129  .0120  .0004  .0021  .0033
O3    .9446  .1734  .4952     .0142  .0142  .0138  .0150 -.0039  .0052 -.0002
O4    .4394  .2064  .5696     .0143  .0136  .0154  .0142 -.0017  .0047 -.0053
O5    .8157  .1393  .9634     .0130  .0147  .0122  .0114 -.0016  .0029  .0008
H1     .898   .195   .986     .0177
H2     .731   .148   .841     .0426
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, results from data collected at UCLA (CuKalpha radiation)
_database_code_amcsd 0007765
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .21
CrM     .5    .5    .5  .09
O    .2611 .2611 .2611  .20
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, results from data collected at BGI (MoKalpha1) radiation)
_database_code_amcsd 0007770
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .34
CrM     .5    .5    .5  .24
O    .2614 .2614 .2614  .56
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: 2B model, ZnCr2O4
_database_code_amcsd 0007775
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .29
CrM     .5    .5    .5  .29
O    .2613 .2613 .2613  .57
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: 1B model, ZnCr2O4
_database_code_amcsd 0007780
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .30
CrM     .5    .5    .5  .30
O    .2621 .2621 .2621  .30
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, MoKalpha1 radiation
_database_code_amcsd 0007802
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125 .324
CrM     .5    .5    .5 .247
O    .2615 .2615 .2615 .481
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, BGI (Mo radiation)
_database_code_amcsd 0007816
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125 .334
CrM     .5    .5    .5 .249
O    .2615 .2615 .2615 .516
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, original background
_database_code_amcsd 0007823
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .31
CrM     .5    .5    .5  .18
O    .2622 .2622 .2622  .29
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, original background less 7 to 18 degrees 2 theta
_database_code_amcsd 0007828
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .31
CrM     .5    .5    .5  .22
O    .2616 .2616 .2616  .48
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, background subtracted
_database_code_amcsd 0007833
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .27
CrM     .5    .5    .5  .15
O    .2619 .2619 .2619  .33
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Zincochromite
Download hom/zincochromite.pdf
O'Neill H St C, Dollase W A
 
Physics and Chemistry of Minerals 20 (1994) 541-555
Crystal structures and cation distributions in simple spinels from powder XRD
structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence
of the cation distribution in ZnAl2O4
Sample: ZnCr2O4, preferred values of spinel structure parameters
_database_code_amcsd 0007846
8.3271 8.3271 8.3271 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z Biso
ZnT   .125  .125  .125  .32
CrM     .5    .5    .5  .23
O    .2614 .2614 .2614  .52
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Zincobotryogen
Download hom/zincobotryogen.pdf
Susse P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=24&spage=760
Acta Crystallographica B24 (1968) 760-767
Die kristallstruktur des botryogens
Locality: Rammelsberg mine near Goslar, Germany
_database_code_amcsd 0009339
10.526 17.872 7.136 90 100.13 90 P2_1/n
atom     x     y     z occ Biso
Zn2  .4078 .1821 .3485 .47 1.63
Mn2  .4078 .1821 .3485 .25 1.63
Mg2  .4078 .1821 .3485 .20 1.63
Fe2  .4078 .1821 .3485 .08 1.63
Fe11     0     0     0     1.43
Fe12     0     0    .5     1.53
S1   .0929 .1385 .2799      .19
S2   .7085 .0685 .8845      .25
O1   .0110 .1059 .1106      .84
O2   .2162 .1613 .2330     1.47
O3   .1175 .0807 .4290     1.26
O4   .0247 .2019 .3440     1.97
O5   .7432 .1148 .7291     1.48
O6   .8075 .0085 .9309     1.23
O7   .7077 .1128 .0542     1.88
O8   .5829 .0338 .8219     1.45
OH9  .0219 .0432 .7510     1.05
Wat1 .4516 .1161 .1273     1.81
Wat2 .5975 .2055 .4582     2.02
Wat3 .3374 .2473 .5570     1.81
Wat4 .8318 .0617 .4213     1.58
Wat5 .9129 .2246 .6719     1.89
Wat6 .2068 .1606 .8244     2.53
Wat7 .4036 .0888 .5264     2.47
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Zincolivenite
 
Toman K
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=715
Acta Crystallographica B34 (1978) 715-721
Ordering in olivenite-adamite solid solutions
Locality: Tsumeb, Southwest Africa
_database_code_amcsd 0009626
8.50 8.52 5.99 90 90 90 Pnnm
atom      x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As    .2522 .2618     0           .0059  .0119  .0073 -.0003      0      0
Zn   -.1276 .3621     0           .0065  .0144  .0114  .0009      0      0
Cu        0     0 .2487 .86       .0118  .0165  .0075  .0073      0      0
Zn        0     0 .2487 .14       .0118  .0165  .0075  .0073      0      0
O1     .106  .394     0        1
O2     .424  .367     0       .7
OH3   -.104  .119     0      1.6
O4     .237  .144  .224      1.6
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Zincite
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Aminoff G
 
Zeitschrift fur Kristallographie 56 (1921) 495-505
Ueber Lauephotogramme und Struktur von Zinkit.
_cod_database_code 1011258
_database_code_amcsd 0018119
3.22 3.22 5.2 90 90 120 P6_3mc
atom   x   y    z
Zn1  1/3 2/3    0
O1   1/3 2/3 .375
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Zincite
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Weber L
 
Zeitschrift fur Kristallographie 58 (1923) 398-403
Die Struktur von Zn O.
_cod_database_code 1011259
_database_code_amcsd 0018120
3.351 3.351 5.226 90 90 120 P6_3mc
atom   x   y    z
Zn1  1/3 2/3    0
O1   1/3 2/3 .375
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Zincomenite
 
Bensch W, Gunther J R
 
Zeitschrift fur Kristallographie 174 (1986) 291-295
The crystal structure of beta-zinc selenite
Locality: synthetic
_database_code_amcsd 0020210
7.188 6.225 11.976 90 90 90 Pbca
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zn   .6074 .3648 .5957 .010  .014   .009   .008   .002  -.001   .001
Se   .5445 .3882 .8575 .008  .010   .006   .007   .000  -.001   .000
O1   .6518 .0154 .5932 .012  .012   .011   .013  -.004  -.002   .001
O2   .5311 .3398 .4345 .014  .027   .006   .009  -.004   .003  -.003
O3   .4657 .2980 .7340 .012  .018   .008   .011   .000   .000   .003
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Zinc
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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 0011200
2.6648 2.6648 4.9467 90 90 120 P6_3/mmc
atom   x   y   z
Zn   1/3 2/3 .25
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Zincite
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Wyckoff R W G
 
Crystal Structures 1 (1963) 85-237
Second edition. Interscience Publishers, New York, New York
Note: wurtzite structure
_database_code_amcsd 0011555
3.24950 3.24950 5.2069 90 90 120 P6_3mc
atom   x   y    z
Zn   1/3 2/3    0
O    1/3 2/3 .345
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Zincolibethenite
 
Williams P A, Leverett P, Birch W D, Hibbs D E, Kilitsch U, Mihajlovic T
 
Australian Journal of Mineralogy 12 (2006) 3-7
Zinc-rich zincolibethenite from Broken Hill, New South Wales
Locality: Block 14 open cut, Broken Hill, New South Wales, Australia
Note: z-coordinate of O3 altered by communication with authors, April 2010
_database_code_amcsd 0012060
8.323 8.251 5.861 90 90 90 Pnnm
atom     x     y     z occ Uiso
Zn1  .3606 .3709    .5     .008
Cu       0    .5 .2509 .94 .010
Zn2      0    .5 .2509 .06 .010
P    .2335 .2529     0 .98 .006
As   .2335 .2529     0 .02 .006
O1   .1098 .1131     0     .011
O2   .1329 .4131     0     .009
O3   .3405 .2425 .2119     .011
Oh   .1167 .3937    .5     .009
H    .0920 .3070    .5     .038
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Zincochromite
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Passerini L
 
Gazzetta Chimica Italiana 60 (1930) 389-399
Ricerche sugli Spinelle.- II. I composti. Cu Al2 O4, Mg Al2 O4, Mg Fe2
O4, Zn Al2 O4, Zn Cr2 O4, Zn Fe2 O4, Mn Fe2 O4
_cod_database_code 1011278
_database_code_amcsd 0018130
8.280 8.280 8.280 90 90 90 Fd3m
atom    x    y    z
Zn1     0    0    0
Cr1  .625 .625 .625
O1   .375 .375 .375
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Zincochromite
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Raccah P M, Bouchard R J, Wold A
 
Journal of Applied Physics 37 (1966) 1436-1437
Locality: synthetic
Crystallographic study of chromium spinels
_database_code_amcsd 0012909
8.321 8.321 8.321 90 90 90 Fd-3m
atom     x     y     z
Zn       0     0     0
Cr    .625  .625  .625
O    .3899 .3899 .3899
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Zinc
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Jette E R, Foote F
 
Journal of Chemical Physics 3 (1935) 605-616
Precision determination of lattice constants
Locality: synthetic
Sample: at T = 25 C
Note: lattice parameter is average of three samples
_database_code_amcsd 0012940
2.6594 2.6594 4.9368 90 90 120 P6_3/mmc
atom   x   y   z
Zn   1/3 2/3 .25
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Zincgartrellite
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Effenberger H, Krause W, Bernhardt H J, Martin M
Download mm/vol64/MM64_1109.pdf
Mineralogical Magazine 64 (2000) 1109-1126
On the symmetry of tsumcorite group minerals
based on the new species rappoldite and zincgartrellite
Locality: Tsumeb, Namibia
_database_code_amcsd 0014556
5.550 5.620 7.621 68.59 69.17 69.51 P-1
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1        0     0     0     .0479   .061   .045   .033  -.014  -.020   .003
Zn2a       0    .5    .5  .6  .040   .033   .044   .029  -.009  -.009   .006
Fe3+2a     0    .5    .5  .4  .040   .033   .044   .029  -.009  -.009   .006
Zn2b      .5     0    .5  .6  .034   .047   .026   .026  -.016  -.016   .008
Cu2b      .5     0    .5  .4  .034   .047   .026   .026  -.016  -.016   .008
As     .4125 .4266 .7853      .032   .037   .034   .023  -.010  -.015   .005
O2      .306  .321  .648      .052
O3a     .255  .679  .258      .044
O3b     .691  .238  .251      .049
O4      .273  .289  .020      .037
OH1     .163  .166  .420  .2  .034
Wat1    .163  .166  .420  .8  .034
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Zincalstibite
 
Mills S J, Christy A G, Kampf A R, Housley R M, Favreau G, Boulliard J C, Bourgoin V
 
Mineralogical Magazine 76 (2012) 1337-1345
Zincalstibite-9R: the first nine-layer polytype with the layered double
hydroxide structure-type
Locality: Monte Avanza mine, Udine Province, Italy
_database_code_amcsd 0019586
5.340 5.340 88.01 90 90 120 R-3
atom     x      y       z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
ZnM1   1/3    2/3     1/6 .70 .036   .030   .030   .049   .015      0      0
AlM1   1/3    2/3     1/6 .30 .036   .030   .030   .049   .015      0      0
ZnM2     0      0  .16691 .76 .036   .030   .030   .048  .0151      0      0
AlM2     0      0  .16691 .24 .036   .030   .030   .048  .0151      0      0
ZnM3   2/3    1/3  .05575 .73 .036   .029   .029   .049   .015      0      0
AlM3   2/3    1/3  .05575 .27 .036   .029   .029   .049   .015      0      0
CuM4     0      0  .05535 .74 .033   .027   .027   .045  .0135      0      0
AlM4     0      0  .05535 .26 .033   .027   .027   .045  .0135      0      0
CuM5   1/3    2/3  .05548 .69 .031   .026   .026   .042  .0131      0      0
AlM5   1/3    2/3  .05548 .31 .031   .026   .026   .042  .0131      0      0
Sb1      0      0  .11113  .5 .041   .043   .043   .037  .0217      0      0
Sb2    2/3    1/3 -.00001  .5 .075   .076   .076   .074  .0379      0      0
Sb3    1/3    2/3  .11114  .5 .018   .020   .020   .015  .0099      0      0
OH1   .003   .335  .15519     .043   .033   .039   .058   .018   .003   .002
OH2   .664  -.003  .06687     .050   .041   .038   .071   .020   .000  -.001
OH3   .666   .667  .04421     .049   .036   .037   .071   .015   .002  -.001
OH4   .193  -.140  .12495  .5 .059
OH5   .668   .863  .09753  .5 .059
OH6   .000   .520 -.01376  .5 .066
OH4'  .479   .011   .1244 .25 .036
OH5'  .531   .014   .0980 .25 .045
OH6'  .143   .810  -.0140 .25 .033
OH4"  .342   .150   .1246 .25 .068
OH5"  .806   .148   .0976 .25 .065
OH6"  .860   .666  -.0140 .25 .041
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Zincowoodwardite
Download hom/zincowoodwardite.pdf
Witzke T, Raade G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2000 (2000) 455-465
Zincowoodwardite, [Zn1-x Alx(OH)2][(SO4)x/2(H2O)n], a new mineral of the hydrotalcite group
Locality: Hilarion mine, Kamariza, near Laurion, Greece
Note: polytype Zincowoodwardite-1T
_database_code_amcsd 0014907
3.063 3.063 8.91 90 90 120 P-3
atom     x      y    z  occ
Zn       0      0    0 .625
Al       0      0    0 .375
S        0      0 .464 .094
OH1    1/3    2/3 .110
O2   .2673 -.2673 .420 .083
Wat3     0      0 .600 .094
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Zincowoodwardite-3R
 
Witzke T, Raade G
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2000 (2000) 455-465
Zincowoodwardite, [Zn1-x Alx(OH)2][(SO4)x/2(H2O)n], a new mineral of the hydrotalcite group
Locality: Hilarion mine, Kamariza, near Laurion, Greece
_database_code_amcsd 0014908
3.065 3.065 25.42 90 90 120 R-3m
atom      x     y     z  occ
Zn        0     0     0 .625
Al        0     0     0 .375
S1        0     0 .1658 .047
S2        0     0 .1673 .047
OH1       0     0  .366
O2a    .065 -.065  .481 .042
O2b   -.065  .065  .481 .042
Wat3a     0     0 .1069 .047
Wat3b     0     0 .2262 .047
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Zinc
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Hull A W, Davey W P
 
Physical Review 17 (1921) 549-570
Graphical determination of hexagonal and tetragonal crystal structures
from X-ray data
Locality: synthetic
_database_code_amcsd 0015115
2.670 2.670 4.966 90 90 120 P6_3/mmc
atom   x   y   z
Zn   1/3 2/3 .25
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Zincite
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Xu Y N, Ching W Y
 
Physical Review B48 (1993) 4335-4351
Electronic, optical, and structural properties of some wurtzite crystals
_database_code_amcsd 0015176
3.249 3.249 5.207 90 90 120 P6_3mc
atom   x   y    z
Zn   2/3 1/3    0
O    2/3 1/3 .345
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Zincohogbomite-2N6S
 
Armbruster T, Bermanec V, Zebec V, Oberhansli R
 
Schweizerische Mineralogische und Petrographische Mitteilungen 78 (1998) 469-477
Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2,
from Nezilovo, Macedonia: occurence and crystal structure of a new polysome
Locality: Nezilovo, Macedonia
_database_code_amcsd 0019143
5.729 5.729 37.097 90 90 120 P6_3mc
atom      x      y      z   occ Biso
Zn1     2/3    1/3 .27662   .84  .48
Al1     2/3    1/3 .27662 .1086  .48
Mg1     2/3    1/3 .27662 .0544  .48
Zn2       0      0 .52706   .95  .48
Mg2       0      0 .52706  .017  .48
Al2       0      0 .52706 .0339  .48
Zn3     2/3    1/3 .55878   .91  .48
Mg3     2/3    1/3 .55878 .0306  .48
Al3     2/3    1/3 .55878 .0611  .48
Zn4     2/3    1/3 .65229   .95  .48
Mg4     2/3    1/3 .65229  .017  .48
Al4     2/3    1/3 .65229 .0339  .48
Zn5     1/3    2/3 .68484   .93  .48
Mg5     1/3    2/3 .68484 .0238  .48
Al5     1/3    2/3 .68484 .0475  .48
Zn6     1/3    2/3 .40084   .88  .48
Mg6     1/3    2/3 .40084 .0408  .48
Al6     1/3    2/3 .40084 .0814  .48
Zn7       0      0 .43266   .91  .48
Mg7       0      0 .43266 .0306  .48
Al7       0      0 .43266 .0611  .48
Fe      1/3    2/3 .30155        .44
Ti   -.1660 -.3320 .35345   .26  .51
Al8  -.1660 -.3320 .35345   .74  .51
Al9   .1665  .3330 .60593        .43
Al10      0      0  .6690        .49
Al11    2/3    1/3  .4176        .56
Al12  .5001  .0002 .48009        .44
Al13 -.1698 -.3396 .73135        .48
Al14    1/3    2/3  .5429        .45
O1      1/3    2/3  .6329         .9
O2      2/3    1/3  .5070         .9
O3    .1867  .3734  .5100        .61
O4        0      0  .3796         .9
O5   -.1469 -.2938  .6357        .66
O6    .5197  .0394  .3852        .69
O7    .4821  .9642  .2611        .79
O8    .1479  .2958  .7026        .53
O9    .4824  .9648  .5766        .59
O10  -.1838 -.3676  .4508        .52
OH11      0      0  .7588         .6
O12   .1658  .3316  .3260        .58
O13       0      0  .5800         .4
O14     1/3    2/3  .4544         .6
O15     2/3    1/3  .3285         .8
O16     1/3    2/3  .2054         .4
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Total number of retrieved datasets: 48
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