American Mineralogist Crystal Structure Database

24 matching records for this search.

Neighborite
Download hom/neighborite.pdf
Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
Kikegawa T, Chen J, Shimomura O
Download am/vol79/AM79_615.pdf
American Mineralogist 79 (1994) 615-621
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
diffraction study using monochromatic synchrotron X-radiation
P = room pressure
_database_code_amcsd 0001664
5.3603 5.4884 7.666 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9851 .0455   .25 .042
Mg       0    .5     0 .026
F1    .088  .474   .25 .033
F2   .7022 .2946 .0480 .032
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Neighborite
Download hom/neighborite.pdf
Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
Kikegawa T, Chen J, Shimomura O
Download am/vol79/AM79_615.pdf
American Mineralogist 79 (1994) 615-621
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
diffraction study using monochromatic synchrotron X-radiation
P = 4.9 GPa
_database_code_amcsd 0001665
5.2386 5.3796 7.5052 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9824 .0473   .25 .046
Mg       0    .5     0 .034
F1    .097  .469   .25 .040
F2   .7006 .2970 .0498 .031
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Neighborite
Download hom/neighborite.pdf
Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
Kikegawa T, Chen J, Shimomura O
Download am/vol79/AM79_615.pdf
American Mineralogist 79 (1994) 615-621
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
diffraction study using monochromatic synchrotron X-radiation
P = room pressure following decompression
_database_code_amcsd 0001666
5.3609 5.4828 7.667 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9860 .0422   .25 .041
Mg       0    .5     0 .031
F1   .0912 .4711   .25 .035
F2   .7052 .2943 .0455 .027
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Liebenbergite
Download hom/liebenbergite.pdf
Chen J, Li R, Parise J B, Weidner D J
Download am/vol81/AM81_1519.pdf
American Mineralogist 81 (1996) 1519-1522
Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
Sample: Room pressure, 23 C, (800 C quenched)
_database_code_amcsd 0001846
4.7362 10.1682 5.9401 90 90 90 Pbnm
atom     x     y     z  occ Uiso
Ni1      0     0     0 .742 .015
Mg1      0     0     0 .258 .015
Ni2  .9898 .2752   .25 .258 .015
Mg2  .9898 .2752   .25 .742 .015
Si   .4256 .0932   .25      .017
O1   .7719 .0916   .25      .009
O2   .2208 .4447   .25      .009
O3   .2768 .1640 .0319      .009
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Liebenbergite
Download hom/liebenbergite.pdf
Chen J, Li R, Parise J B, Weidner D J
Download am/vol81/AM81_1519.pdf
American Mineralogist 81 (1996) 1519-1522
Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
Sample: 4 GPa and 800 C, 40 min
_database_code_amcsd 0001847
4.7325 10.1454 5.9313 90 90 90 Pbnm
atom     x     y     z  occ Uiso
Ni1      0     0     0 .754 .017
Mg1      0     0     0 .246 .017
Ni2  .9873 .2760   .25 .246 .017
Mg2  .9873 .2760   .25 .754 .017
Si   .4268 .0940   .25      .011
O1   .7719 .0884   .25      .007
O2   .2254 .4469   .25      .007
O3   .2814 .1613 .0346      .007
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Liebenbergite
Download hom/liebenbergite.pdf
Chen J, Li R, Parise J B, Weidner D J
Download am/vol81/AM81_1519.pdf
American Mineralogist 81 (1996) 1519-1522
Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
Sample: 4 GPa and 800 C, 63 min
_database_code_amcsd 0001848
4.7330 10.1452 5.9303 90 90 90 Pbnm
atom     x     y     z  occ Uiso
Ni1      0     0     0 .757 .017
Mg1      0     0     0 .243 .017
Ni2  .9879 .2757   .25 .243 .017
Mg2  .9879 .2757   .25 .757 .017
Si   .4269 .0945   .25      .013
O1   .7722 .0885   .25      .004
O2   .2235 .4442   .25      .004
O3   .2796 .1636 .0343      .004
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Liebenbergite
Download hom/liebenbergite.pdf
Chen J, Li R, Parise J B, Weidner D J
Download am/vol81/AM81_1519.pdf
American Mineralogist 81 (1996) 1519-1522
Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
Sample: 4 GPa and 800 C, 109 min
_database_code_amcsd 0001849
4.7322 10.1453 5.9309 90 90 90 Pbnm
atom     x     y     z  occ Uiso
Ni1      0     0     0 .762 .016
Mg1      0     0     0 .238 .016
Ni2  .9892 .2762   .25 .238 .016
Mg2  .9892 .2762   .25 .762 .016
Si   .4260 .0939   .25      .017
O1   .7687 .0890   .25      .010
O2   .2259 .4450   .25      .010
O3   .2804 .1626 .0326      .010
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 25 C
_database_code_amcsd 0003924
5.2768 5.4213 7.5548 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9877 .0493   .25 .035
Mg       0    .5     0 .015
F1   .0892 .4677   .25 .027
F2   .6963 .2968 .0546 .029
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 200 C
_database_code_amcsd 0003925
5.3047 5.4282 7.5864 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9856 .0455   .25 .036
Mg       0    .5     0 .014
F1   .0870 .4669   .25 .018
F2   .6951 .2956 .0481 .033
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 400 C
_database_code_amcsd 0003926
5.3350 5.4352 7.6227 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9893 .0377   .25 .038
Mg       0    .5     0 .012
F1   .0812 .4732   .25 .024
F2   .7000 .2952 .0461 .023
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 600 C
_database_code_amcsd 0003927
5.3678 5.4440 7.6587 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9930 .0296   .25 .051
Mg       0    .5     0 .021
F1   .0788 .4783   .25 .036
F2   .7017 .2970 .0408 .035
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 700 C
_database_code_amcsd 0003928
5.3915 5.4532 7.6831 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9988 .0286   .25 .053
Mg       0    .5     0 .018
F1   .0697 .4842   .25 .034
F2   .7078 .2978 .0396 .044
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 800 C
_database_code_amcsd 0003929
5.4162 5.4629 7.7092 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9980 .0242   .25 .064
Mg       0    .5     0 .025
F1   .0607 .4914   .25 .058
F2   .7028 .2884 .0407 .048
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 900 C
_database_code_amcsd 0003930
5.4480 5.4677 7.7366 90 90 90 Pbnm
atom     x     y     z Uiso
Na   .9967 .0191   .25 .121
Mg       0    .5     0 .053
F1   .0307 .4788   .25 .580
F2   .7240 .2835 .0295 .077
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Neighborite
Download hom/neighborite.pdf
Chen J, Liu H, Martin C D, Parise J B, Weidner D J
Download am/vol90/AM90_1534.pdf
American Mineralogist 90 (2005) 1534-1539
Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
Sample: P = 4 GPa, T = 1000 C, high-T polymorph
_database_code_amcsd 0003931
3.8760 3.8760 3.8760 90 90 90 Pm-3m
atom   x   y   z Uiso
Na     0   0   0 .111
Mg    .5  .5  .5 .046
F     .5  .5   0 .135
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Neighborite
Download hom/neighborite.pdf
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B
Download am/vol91/AM91_1703.pdf
American Mineralogist 91 (2006) 1703-1706
Rietveld structure refinement of perovskite and post-perovskite phases of
NaMgF3 (neighborite) at high pressures
Locality: synthetic
Sample: (a), P = 27 GPa
_database_code_amcsd 0004239
4.8904 5.2022 7.1403 90 90 90 Pbnm
atom     x     y     z
Na   .9771 .0802   .25
Mg       0    .5     0
F1   .1019 .4697   .25
F2   .6750 .3110 .0619
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NaMgF3
 
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B
Download am/vol91/AM91_1703.pdf
American Mineralogist 91 (2006) 1703-1706
Rietveld structure refinement of perovskite and post-perovskite phases of
NaMgF3 (neighborite) at high pressures
Locality: synthetic
Sample: (b), P = 54 GPa
_database_code_amcsd 0004240
2.7145 8.393 6.8512 90 90 90 Cmcm
atom  x     y     z
Na    0 .2567   .25
Mg    0     0     0
F1   .5 .4242   .25
F2   .5 .1402 .0676
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NaMgF3
 
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B
Download am/vol91/AM91_1703.pdf
American Mineralogist 91 (2006) 1703-1706
Rietveld structure refinement of perovskite and post-perovskite phases of
NaMgF3 (neighborite) at high pressures
Locality: synthetic
Sample: (c), P = 54 GPa
_database_code_amcsd 0004241
2.7164 8.381 6.8487 90 90 90 Cmcm
atom  x     y     z
Na    0 .2422   .25
Mg    0     0     0
F1   .5 .4433   .25
F2   .5 .1385 .0579
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NaMgF3
 
Martin C D, Crichton W A, Liu H, Prakapenka V, Chen J, Parise J B
Download am/vol91/AM91_1703.pdf
American Mineralogist 91 (2006) 1703-1706
Rietveld structure refinement of perovskite and post-perovskite phases of
NaMgF3 (neighborite) at high pressures
Locality: synthetic
Sample: (d), P = 54 GPa
_database_code_amcsd 0004242
2.7143 8.393 6.846 90 90 90 Cmc2_1
atom x     y     z
Na   0 .2531 .0036
Mg   0 .0129 .2556
F1   0 .9251     0
F2   0 .6286 .1551
F3   0 .6554 .7902
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Suanite
Download hom/suanite.pdf
Guo G-C, Cheng W-D, Chen J-T, Zhuang H-H, Huang J-S, Zhang Q-E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=51&spage=2469
Acta Crystallographica C51 (1995) 2469-2471
Monoclinic Mg2B2O5
Locality: synthetic
_database_code_amcsd 0010304
9.197 3.1228 12.303 90 104.26 90 P2_1/c
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1   .1023  .2133 .18580 .0056  .0080  .0060  .0035  .0000  .0018  .0009
Mg2   .6440  .2961 .89470 .0065  .0067  .0070  .0063 -.0018  .0021 -.0009
B1    .3573  -.228  .3411 .0050   .006   .007   .004   .000  .0030   .004
B2    .1683  -.654 -.0606 .0050   .006   .004   .006   .000   .003  -.001
O1    .4957 -.8020  .1370 .0071  .0030   .008  .0090   .001  .0020   .000
O2    .2582 -.2780  .2381 .0058  .0060   .006  .0050   .001  .0000   .002
O3    .1804  .2200  .0463 .0071  .0090   .008  .0040  -.001  .0010   .001
O4   -.0535 -.2910  .1522 .0065  .0060   .008  .0040   .001 -.0010   .002
O5    .3005 -.4260 -.0693 .0069  .0060   .011  .0040 -.0030  .0020  .0000
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Topaz
Download hom/topaz.pdf
Chen J, Lager G A, Kunz M, Hansen T C, Ulmer P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=253
Acta Crystallographica E61 (2005) i253-i255
A Rietveld refinement using neutron powder diffraction data of a
fully deuterated topaz, Al2SiO4(OD)2
Locality: synthetic
_database_code_amcsd 0010464
4.72820 8.9320 8.4309 90 90 90 Pbnm
atom     x     y     z occ  Uiso
Al   .9071 .1325 .0779     .0030
Si   .4032 .9404   .25     .0002
O1   .7080 .0260   .25     .0015
O2   .4431 .7551   .25     .0017
O3   .2129 .9922 .0946     .0031
O4   .5917 .2504 .0661     .0048
D1   .4400 .1858 .1031  .5 .0450
D2   .5320 .2811 .1675  .5 .0480
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Kieftite
Download hom/kieftite.pdf
He T, Chen J, Rosenfeld H D, Subramanian M A
 
Chemistry of Materials 18 (2006) 759-762
Thermoelectric properties of indium-filled skutterudites
Locality: synthetic
_database_code_amcsd 0017605
9.05294 9.05294 9.05294 90 90 90 Im3
atom   x      y      z occ  Uiso
Co   .25    .25    .25     .0035
Sb     0 .33557 .15823     .0054
In     0      0      0  .2  .036
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B Ga O4 Sr
 
Yang Z, Liang J, Chen X, Chen J
 
Journal of Solid State Chemistry 165 (2002) 119-124
Ab intio structure determination of a new compound,
beta-SrGaBO4,from powder diffraction data
_cod_database_code 1100052
_database_code_amcsd 0018236
15.3706 8.9921 5.9191 90 90 90 P2_12_12
atom     x      y     z
Sr1  .1218 -.0716 .5001
Sr2  .5220  .2863 .0076
Ga1  .3498  .0341 .7571
Ga2  .3412  .0428 .2499
O1   .0981 -.0364 -.003
O2   .4015 -.1264  .272
O3   .3671  .1505 .5041
O4   .5941  .1461  .683
O5   .2323 -.0386  .198
O6   .2278 -.0007  .795
O7   .3950  .1300 .0080
O8   .0306  .1794  .478
B1   .1850 -.0317 .0050
B2   .0850  .2950 .5300
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Boron
 
Oganov A R, Chen J, Gatti C, Ma Y, Ma Y, Glass C W, Liu Z, Yu T, Kurakevych O O, Solozhenko V L
 
Nature 457 (2009) 863-867
Ionic high-pressure form of elemental boron
Note: theoretical calculation
_database_code_amcsd 0014681
5.054 5.620 6.987 90 90 90 Pnnm
atom     x     y     z
B1   .1702 .5206     0
B2   .1606 .2810 .3743
B3   .3472 .0924 .2093
B4   .3520 .2711     0
B5   .1644 .0080     0
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Total number of retrieved datasets: 24
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