American Mineralogist Crystal Structure Database

101 matching records for this search.

Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: Ringby4
_database_code_amcsd 0003158
8.0633 8.0633 8.0633 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125      .00426 .00426 .00426       0       0       0
MgOct     .5     .5     .5 .998 .00516 .00516 .00516 -.00058 -.00058 -.00058
O     .24391 .24391 .24391      .00459 .00459 .00459 -.00044 -.00044 -.00044
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: Ringby2
_database_code_amcsd 0003159
8.0682 8.0682 8.0682 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125 .994 .00405 .00405 .00405       0       0       0
MgOct     .5     .5     .5 .972 .00488 .00488 .00488 -.00032 -.00032 -.00032
O     .24393 .24393 .24393      .00475 .00475 .00475 -.00051 -.00051 -.00051
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: Ringby5
_database_code_amcsd 0003160
8.0687 8.0687 8.0687 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125      .00479 .00479 .00479       0       0       0
MgOct     .5     .5     .5 .973 .00556 .00556 .00556 -.00060 -.00060 -.00060
O     .24377 .24377 .24377      .00545 .00545 .00545 -.00056 -.00056 -.00056
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: SZ0107
_database_code_amcsd 0003161
8.09027 8.09027 8.09027 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125 .995 .00458 .00458 .00458       0       0       0
MgOct     .5     .5     .5 .854 .00489 .00489 .00489 -.00042 -.00042 -.00042
FeOct     .5     .5     .5 .103 .00489 .00489 .00489 -.00042 -.00042 -.00042
O     .24354 .24354 .24354      .00530 .00530 .00530 -.00030 -.00030 -.00030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: SZ0002
_database_code_amcsd 0003162
8.0904 8.0904 8.0904 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125      .00590 .00590 .00590       0       0       0
MgOct     .5     .5     .5 .869 .00547 .00547 .00547 -.00039 -.00039 -.00039
FeOct     .5     .5     .5 .108 .00547 .00547 .00547 -.00039 -.00039 -.00039
O     .24345 .24345 .24345      .00601 .00601 .00601 -.00006 -.00006 -.00006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: SZ9901
_database_code_amcsd 0003163
8.0944 8.0944 8.0944 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125      .00581 .00581 .00581       0       0       0
MgOct     .5     .5     .5 .866 .00548 .00548 .00548 -.00045 -.00045 -.00045
FeOct     .5     .5     .5 .115 .00548 .00548 .00548 -.00045 -.00045 -.00045
O     .24328 .24328 .24328      .00530 .00530 .00530 -.00026 -.00026 -.00026
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Ringwoodite
Download hom/ringwoodite.pdf
Smyth J R, Holl C M, Frost D J, Jacobsen S D, Langenhorst F, McCammon C A
Download am/vol88/AM88_1402.pdf
American Mineralogist 88 (2003) 1402-1407
Structural systematics of hydrous ringwoodite and water in Earth's interior
Sample: SZ0104
_database_code_amcsd 0003164
8.1053 8.1053 8.1053 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
SiTet   .125   .125   .125 .987 .00673 .00673 .00673       0       0       0
MgOct     .5     .5     .5 .832 .00564 .00564 .00564 -.00064 -.00064 -.00064
FeOct     .5     .5     .5 .129 .00564 .00564 .00564 -.00064 -.00064 -.00064
O     .24341 .24341 .24341      .00668 .00668 .00668  .00002  .00002  .00002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Wadsleyite
Download hom/wadsleyite.pdf
Holl C M, Smyth J R, Jacobsen S D, Frost D J
 
American Mineralogist 93 (2008) 598-607
Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
Locality: synthetic
Sample: SS0401, 1.66 wt% H2O
_database_code_amcsd 0004543
5.6807 11.5243 8.2515 90 90.090 90 *I2/m
.25 .25 .25
atom         x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
MgM1         0      0      0       .0124  .0137  .0069  .0165 -.0005 -.0007   .0028
MgM2   -.00014    .25 .97051       .0069  .0085  .0047  .0076      0  .0000       0
MgM3a      .25 .12299    .25 .871  .0087  .0067  .0106  .0078      0 -.0005       0
WatM3a     .25 .12299    .25 .129  .0087  .0067  .0106  .0078      0 -.0005       0
MgM3b      .75 .37703    .25 .857  .0093  .0071  .0120  .0086  .0003      0       0
WatM3b     .75 .37703    .25 .129  .0093  .0071  .0120  .0086  .0003      0       0
Si      .00000 .12083 .61574      .00666  .0063  .0065  .0072 .00017  .0000 -.00023
O1       .0002    .25  .2237       .0086  .0068  .0091  .0100      0  .0008       0
O2       .0002    .25  .7163       .0076  .0090  .0070  .0068      0  .0007       0
O3      -.0003 .01245 .74375       .0087  .0088  .0090  .0083 -.0003  .0002   .0005
O4       .2605 .12355 .99419       .0072  .0075  .0056  .0085  .0006  .0002   .0006
O4b      .7389 .37644 .99419       .0074  .0074  .0067  .0080 -.0006  .0011  -.0009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Wadsleyite
Download hom/wadsleyite.pdf
Holl C M, Smyth J R, Jacobsen S D, Frost D J
 
American Mineralogist 93 (2008) 598-607
Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
Locality: synthetic
Sample: SS0402, 1.18 wt% H2O
_database_code_amcsd 0004544
5.6862 11.5023 8.2526 90 90.013 90 Imma
atom       x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1       0      0      0       .0122  .0080  .0146  .0116      0      0  .0013
MgM2       0    .25 .97034       .0098  .0066  .0073  .0079      0      0      0
MgM3     .25 .12426    .25 .8900 .0075  .0110  .0076  .0087      0 -.0007      0
WatM3    .25 .12426    .25 .0916 .0075  .0110  .0076  .0087      0 -.0007      0
Si         0 .12059 .61601       .0069  .0068  .0062 .00665      0      0 -.0001
O1         0    .25  .2214       .0061  .0099  .0099  .0086      0      0      0
O2         0    .25  .7160       .0092  .0074  .0061  .0076      0      0      0
O3         0 .98816 .25591       .0096  .0081  .0071  .0083      0      0      0
O4    .26118 .12338 .99381       .0067  .0079  .0077 .00744  .0003  .0011  .0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Wadsleyite
Download hom/wadsleyite.pdf
Holl C M, Smyth J R, Jacobsen S D, Frost D J
 
American Mineralogist 93 (2008) 598-607
Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
Locality: synthetic
Sample: SS0403, 0.38 wt% H2O
_database_code_amcsd 0004545
5.6951 11.4628 8.2565 90 90.001 90 Imma
atom       x      y      z   occ  Uiso  U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
MgM1       0      0      0       .0075  .00484  .0080 .00676       0       0 .00026
MgM2       0    .25 .97005       .0064  .00495  .0050 .00544       0       0      0
MgM3     .25 .12634    .25 .9614 .0054  .00718  .0061 .00621       0 -.00084      0
WatM3    .25 .12634    .25 .0296 .0054  .00718  .0061 .00621       0 -.00084      0
Si         0 .12012 .61649       .0043  .00411 .00377 .00406       0       0 .00002
O1         0    .25 .21929       .0047   .0052  .0065 .00544       0       0      0
O2         0    .25 .71641       .0070   .0035  .0037 .00471       0       0      0
O3         0 .98937 .25617       .0065   .0048  .0049 .00538       0       0      0
O4    .26184 .12297 .99324       .0044   .0051  .0052 .00491 -.00016  .00089 .00020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Wadsleyite
Download hom/wadsleyite.pdf
Holl C M, Smyth J R, Jacobsen S D, Frost D J
 
American Mineralogist 93 (2008) 598-607
Effects of hydration on the structure and compressibility of wadsleyite, beta-(Mg2SiO4)
Sample: WS3056, 0.005 wt% H2O
_database_code_amcsd 0004546
5.7008 11.4407 8.2582 90 90.000 90 Imma
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1     0      0      0 .0050  .0024  .0086  .0053      0      0 -.0008
MgM2     0    .25 .97088 .0057  .0020  .0073  .0050      0      0      0
MgM3   .25 .12750    .25 .0045  .0043  .0073  .0054      0 -.0012      0
Si       0 .11990 .61705 .0035  .0025  .0052  .0037      0      0 -.0002
O1       0    .25  .2161 .0040  .0052  .0050  .0048      0      0      0
O2       0    .25  .7165 .0072  .0019  .0062  .0051      0      0      0
O3       0 .98993  .2554 .0068  .0021  .0065  .0051      0      0      0
O4   .2617 .12277 .99216 .0048  .0027  .0077  .0051 -.0004  .0000 -.0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 8.5 GPa using ruby-scale
Note: P = 8.5 GPa using MgO-scale
_database_code_amcsd 0004682
4.144 4.144 4.144 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 12.2 GPa using ruby-scale
Note: P = 12.4 GPa using MgO-scale
_database_code_amcsd 0004683
4.118 4.118 4.118 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 15.3 GPa using ruby-scale
Note: P = 15.7 GPa using MgO-scale
_database_code_amcsd 0004684
4.097 4.097 4.097 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 18.2 GPa using ruby-scale
Note: P = 18.5 GPa using MgO-scale
_database_code_amcsd 0004685
4.080 4.080 4.080 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 23.4 GPa using ruby-scale
Note: P = 23.6 GPa using MgO-scale
_database_code_amcsd 0004686
4.051 4.051 4.051 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 28.1 GPa using ruby-scale
Note: P = 28.3 GPa using MgO-scale
_database_code_amcsd 0004687
4.026 4.026 4.026 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 29.9 GPa using ruby-scale
Note: P = 30.3 GPa using MgO-scale
_database_code_amcsd 0004688
4.017 4.017 4.017 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 34.5 GPa using ruby-scale
Note: P = 35.5 GPa using MgO-scale
_database_code_amcsd 0004689
3.992 3.992 3.992 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 37.6 GPa using ruby-scale
Note: P = 39.1 GPa using MgO-scale
_database_code_amcsd 0004690
3.977 3.977 3.977 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 40.4 GPa using ruby-scale
Note: P = 42.0 GPa using MgO-scale
_database_code_amcsd 0004691
3.964 3.964 3.964 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 42.9 GPa using ruby-scale
Note: P = 44.8 GPa using MgO-scale
_database_code_amcsd 0004692
3.952 3.952 3.952 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 46.9 GPa using ruby-scale
Note: P = 48.7 GPa using MgO-scale
_database_code_amcsd 0004693
3.937 3.937 3.937 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 49.7 GPa using ruby-scale
Note: P = 52.1 GPa using MgO-scale
_database_code_amcsd 0004694
3.924 3.924 3.924 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 53.0 GPa using ruby-scale
Note: P = 55.1 GPa using MgO-scale
_database_code_amcsd 0004695
3.913 3.913 3.913 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 56.1 GPa using ruby-scale
Note: P = 58.1 GPa using MgO-scale
_database_code_amcsd 0004696
3.902 3.902 3.902 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 59.5 GPa using ruby-scale
Note: P = 61.7 GPa using MgO-scale
_database_code_amcsd 0004697
3.890 3.890 3.890 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 62.8 GPa using ruby-scale
Note: P = 65.3 GPa using MgO-scale
_database_code_amcsd 0004698
3.878 3.878 3.878 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 65.6 GPa using ruby-scale
Note: P = 68.2 GPa using MgO-scale
_database_code_amcsd 0004699
3.869 3.869 3.869 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 68.3 GPa using ruby-scale
Note: P = 71.3 GPa using MgO-scale
_database_code_amcsd 0004700
3.859 3.859 3.859 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 6.5 GPa using ruby-scale
Note: P = 6.6 GPa using MgO-scale
_database_code_amcsd 0004701
4.158 4.158 4.158 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 8.4 GPa using ruby-scale
Note: P = 8.6 GPa using MgO-scale
_database_code_amcsd 0004702
4.144 4.144 4.144 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 11.5 GPa using ruby-scale
Note: P = 11.7 GPa using MgO-scale
_database_code_amcsd 0004703
4.123 4.123 4.123 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 13.3 GPa using ruby-scale
Note: P = 13.5 GPa using MgO-scale
_database_code_amcsd 0004704
4.111 4.111 4.111 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 18.6 GPa using ruby-scale
Note: P = 18.9 GPa using MgO-scale
_database_code_amcsd 0004705
4.078 4.078 4.078 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 22.6 GPa using ruby-scale
Note: P = 23.0 GPa using MgO-scale
_database_code_amcsd 0004706
4.055 4.055 4.055 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 27.4 GPa using ruby-scale
Note: P = 27.8 GPa using MgO-scale
_database_code_amcsd 0004707
4.029 4.029 4.029 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 4.3 GPa using ruby-scale
Note: P = 4.4 GPa using MgO-scale
_database_code_amcsd 0004708
4.175 4.175 4.175 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 7.9 GPa using ruby-scale
Note: P = 8.4 GPa using MgO-scale
_database_code_amcsd 0004709
4.145 4.145 4.145 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 11.6 GPa using ruby-scale
Note: P = 12.1 GPa using MgO-scale
_database_code_amcsd 0004710
4.119 4.119 4.119 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 17.8 GPa using ruby-scale
Note: P = 18.3 GPa using MgO-scale
_database_code_amcsd 0004711
4.081 4.081 4.081 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 23.9 GPa using ruby-scale
Note: P = 24.4 GPa using MgO-scale
_database_code_amcsd 0004712
4.047 4.047 4.047 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 30.6 GPa using ruby-scale
Note: P = 31.5 GPa using MgO-scale
_database_code_amcsd 0004713
4.011 4.011 4.011 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 36.5 GPa using ruby-scale
Note: P = 37.6 GPa using MgO-scale
_database_code_amcsd 0004714
3.983 3.983 3.983 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 40.1 GPa using ruby-scale
Note: P = 41.4 GPa using MgO-scale
_database_code_amcsd 0004715
3.967 3.967 3.967 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 43.7 GPa using ruby-scale
Note: P = 45.9 GPa using MgO-scale
_database_code_amcsd 0004716
3.948 3.948 3.948 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 46.8 GPa using ruby-scale
Note: P = 48.7 GPa using MgO-scale
_database_code_amcsd 0004717
3.937 3.937 3.937 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 51.0 GPa using ruby-scale
Note: P = 53.2 GPa using MgO-scale
_database_code_amcsd 0004718
3.920 3.920 3.920 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 55.3 GPa using ruby-scale
Note: P = 57.1 GPa using MgO-scale
_database_code_amcsd 0004719
3.906 3.906 3.906 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 58.4 GPa using ruby-scale
Note: P = 60.3 GPa using MgO-scale
_database_code_amcsd 0004720
3.895 3.895 3.895 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 62.9 GPa using ruby-scale
Note: P = 65.3 GPa using MgO-scale
_database_code_amcsd 0004721
3.878 3.878 3.878 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 66.5 GPa using ruby-scale
Note: P = 69.4 GPa using MgO-scale
_database_code_amcsd 0004722
3.865 3.865 3.865 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 69.6 GPa using ruby-scale
Note: P = 72.8 GPa using MgO-scale
_database_code_amcsd 0004723
3.855 3.855 3.855 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 74.6 GPa using ruby-scale
Note: P = 78.9 GPa using MgO-scale
_database_code_amcsd 0004724
3.837 3.837 3.837 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 80.0 GPa using ruby-scale
Note: P = 84.0 GPa using MgO-scale
_database_code_amcsd 0004725
3.822 3.822 3.822 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 85.0 GPa using ruby-scale
Note: P = 90.1 GPa using MgO-scale
_database_code_amcsd 0004726
3.805 3.805 3.805 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 89.0 GPa using ruby-scale
Note: P = 94.4 GPa using MgO-scale
_database_code_amcsd 0004727
3.794 3.794 3.794 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 96.2 GPa using ruby-scale
Note: P = 102.9 GPa using MgO-scale
_database_code_amcsd 0004728
3.773 3.773 3.773 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 99.6 GPa using ruby-scale
Note: P = 106.4 GPa using MgO-scale
_database_code_amcsd 0004729
3.765 3.765 3.765 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 102.4 GPa using ruby-scale
Note: P = 109.4 GPa using MgO-scale
_database_code_amcsd 0004730
3.758 3.758 3.758 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 106.3 GPa using ruby-scale
Note: P = 113.8 GPa using MgO-scale
_database_code_amcsd 0004731
3.748 3.748 3.748 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 111.0 GPa using ruby-scale
Note: P = 118.1 GPa using MgO-scale
_database_code_amcsd 0004732
3.738 3.738 3.738 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 3.6 GPa
_database_code_amcsd 0004733
4.181 4.181 4.181 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 7.4 GPa
_database_code_amcsd 0004734
4.156 4.156 4.156 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 10.6 GPa
_database_code_amcsd 0004735
4.133 4.133 4.133 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 13.5 GPa
_database_code_amcsd 0004736
4.114 4.114 4.114 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 16.2 GPa
_database_code_amcsd 0004737
4.096 4.096 4.096 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 18.9 GPa
_database_code_amcsd 0004738
4.079 4.079 4.079 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 22.8 GPa
_database_code_amcsd 0004739
4.058 4.058 4.058 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 26.9 GPa
_database_code_amcsd 0004740
4.037 4.037 4.037 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 31.1 GPa
_database_code_amcsd 0004741
4.015 4.015 4.015 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 36.6 GPa
_database_code_amcsd 0004742
3.991 3.991 3.991 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 41.4 GPa
_database_code_amcsd 0004743
3.970 3.970 3.970 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 49.1 GPa
_database_code_amcsd 0004744
3.942 3.942 3.942 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 52.2 GPa
_database_code_amcsd 0004745
3.930 3.930 3.930 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 53.5 GPa
_database_code_amcsd 0004746
3.926 3.926 3.926 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 55.9 GPa
_database_code_amcsd 0004747
3.916 3.916 3.916 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 58.1 GPa
_database_code_amcsd 0004748
3.907 3.907 3.907 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 61.1 GPa
_database_code_amcsd 0004749
3.899 3.899 3.899 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 63.5 GPa
_database_code_amcsd 0004750
3.889 3.889 3.889 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 65.9 GPa
_database_code_amcsd 0004751
3.882 3.882 3.882 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 68.7 GPa
_database_code_amcsd 0004752
3.876 3.876 3.876 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 71.2 GPa
_database_code_amcsd 0004753
3.865 3.865 3.865 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 73.9 GPa
_database_code_amcsd 0004754
3.856 3.856 3.856 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 76.2 GPa
_database_code_amcsd 0004755
3.851 3.851 3.851 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 80.1 GPa
_database_code_amcsd 0004756
3.840 3.840 3.840 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 83.5 GPa
_database_code_amcsd 0004757
3.828 3.828 3.828 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Periclase
Download hom/periclase.pdf
Jacobsen S D, Holl C M, Adams K A, Fischer R A, Martin E S, Bina C R, Lin J F,
Prakapenka V B, Kubo A, Dera P
 
American Mineralogist 93 (2008) 1823-1828
Compression of single-crystal magnesium oxide to 118 GPa and a ruby pressure
gauge for helium pressure media
Note: P = 86.6 GPa
_database_code_amcsd 0004758
3.821 3.821 3.821 90 90 90 Fm3m
atom  x  y  z
Mg    0  0  0
O    .5 .5 .5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 0.00 GPa
_database_code_amcsd 0008420
5.316 8.892 6.428 90 90 90 Pmcn
atom     x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba     .25 .41631 .75462 .00914 .00867 .00871 .01004      0      0 .00045
C      .25  .7563  .9197  .0105  .0115  .0115  .0086      0      0 -.0016
O1     .25  .9010  .9115  .0158  .0170  .0101  .0201      0      0 -.0016
O2   .4596  .6841  .9194  .0156  .0110  .0142  .0216  .0025 -.0022  .0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 1.26 GPa
_database_code_amcsd 0008421
5.300 8.868 6.318 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4161 .7557 .011
C     .25  .758  .925 .051
O1    .25  .903  .907 .017
O2   .462  .683  .927 .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 1.98 GPa
_database_code_amcsd 0008422
5.292 8.856 6.246 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4159 .7553 .015
C     .25  .757  .916 .048
O1    .25  .899  .894 .021
O2   .460  .680  .918 .022
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 2.95 GPa
_database_code_amcsd 0008423
5.282 8.843 6.148 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4165 .7554 .012
C     .25  .765  .904 .012
O1    .25  .904  .897 .022
O2   .459  .684  .911 .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 3.94 GPa
_database_code_amcsd 0008424
5.274 8.838 6.060 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4165 .7559 .011
C     .25  .752  .905 .017
O1    .25  .901  .894 .014
O2   .461  .678  .910 .012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 4.56 GPa
_database_code_amcsd 0008425
5.269 8.838 5.999 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4165 .7562 .011
C     .25  .756  .906 .016
O1    .25  .905  .891 .011
O2   .460  .680  .908 .009
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Witherite
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Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 5.50 GPa
_database_code_amcsd 0008426
5.260 8.846 5.895 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4167 .7557 .011
C     .25  .760  .899 .017
O1    .25  .901  .892 .015
O2   .461  .684  .903 .011
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Witherite
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Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 6.20 GPa
_database_code_amcsd 0008427
5.255 8.852 5.838 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4165 .7560 .010
C     .25  .762  .895 .021
O1    .25  .901  .883 .011
O2   .462  .682  .900 .013
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Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 7.05 GPa
_database_code_amcsd 0008428
5.251 8.868 5.762 90 90 90 Pmcn
atom    x     y     z Uiso
Ba    .25 .4168 .7551 .011
C     .25  .768  .905 .011
O1    .25  .900  .875 .015
O2   .460  .684  .892 .014
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Witherite
Download hom/witherite.pdf
Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
 
Physics and Chemistry of Minerals 27 (2000) 467-473
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
Sample: P = 7.2 GPa
_database_code_amcsd 0008429
5.258 5.258 5.64 90 90 120 P-31c
atom    x    y   z
Ba    2/3  1/3 .25
C       0    0 .25
O    .140 .860 .25
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Wadsleyite II
 
Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A,
McCammon C A, Kawamoto T, van Aken P A
 
Physics and Chemistry of Minerals 31 (2005) 691-705
Crystal chemistry of wadsleyite II and water in the Earth's interior
Sample: 1
Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4
_database_code_amcsd 0008922
5.6884 28.9238 8.2382 90 90 90 Imma
atom     x       y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1    .25     .25   .75      .0092  .0099  .0081  .0096      0  .0046      0
Mg2     .5  .19993 .4938      .0110   .013  .0051  .0146      0      0  .0004
Mg3     .5  .10025 .5287  .96 .0083  .0096  .0068  .0084      0      0 -.0001
Fe2+3   .5  .10025 .5287  .02 .0083  .0096  .0068  .0084      0      0 -.0001
Fe3+3   .5  .10025 .5287  .02 .0083  .0096  .0068  .0084      0      0 -.0001
Mg4     .5       0    .5      .0109   .012   .006   .014      0      0 -.0026
Mg5    .25  .14993   .25 .904 .0091  .0081  .0112  .0081      0 -.0038      0
Mg6    .25  .04885   .25 .954 .0069  .0061  .0090  .0058      0 -.0003      0
Si1      0     .25 .3774 .253 .0068  .0055  .0068  .0080      0      0      0
Si2      0  .15249 .6167 .458 .0050  .0057  .0043  .0048      0      0  .0002
Si3      0  .04869 .6157 .502 .0073  .0063  .0077  .0078      0      0  .0001
O1       0 -.00491 .2570   .5 .0073   .010   .012   .010      0      0  .0025
O2       0  .09960 .2246   .5 .0109  .0071  .0136  .0119      0      0  .0003
O3       0  .20301 .2598   .5 .0098   .009  .0109  .0089      0      0  .0007
O4   .2377  .05008 .5056      .0126   .016  .0110  .0104 -.0025  .0013 -.0007
O5   .2411  .15066 .5050      .0041  .0023  .0016  .0083  -.002  .0018  .0004
O6   .2416     .25 .4956   .5 .0096   .006   .012   .011      0  .0032      0
O7       0  .09990 .7174   .5 .0099  .0087  .0128  .0082      0      0  .0014
O8       0  .19653 .7468   .5 .0107   .008  .0160  .0081      0      0  .0039
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Wadsleyite II
 
Smyth J R, Holl C M, Langenhorst F, Laustsen H M S, Rossman G R, Kleppe A,
McCammon C A, Kawamoto T, van Aken P A
 
Physics and Chemistry of Minerals 31 (2005) 691-705
Crystal chemistry of wadsleyite II and water in the Earth's interior
Sample: 2
Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4
_database_code_amcsd 0008923
5.6896 29.104 8.243 90 90 90 Imma
atom     x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1    .25    .25   .75 .852 .0100   .009   .010   .012      0  .0006      0
Fe2+1  .25    .25   .75 .074 .0100   .009   .010   .012      0  .0006      0
Fe3+1  .25    .25   .75 .074 .0100   .009   .010   .012      0  .0006      0
Mg2     .5 .19934 .4927      .0093   .012   .003   .013      0      0  .0004
Mg3     .5  .0998 .5279  .95 .0098  .0110  .0076  .0106      0      0  .0035
Fe2+3   .5  .0998 .5279 .025 .0098  .0110  .0076  .0106      0      0  .0035
Fe3+3   .5  .0998 .5279 .025 .0098  .0110  .0076  .0106      0      0  .0035
Mg4     .5      0    .5  .91  .012   .011   .010   .016      0      0 -.0022
Fe2+4   .5      0    .5 .045  .012   .011   .010   .016      0      0 -.0022
Fe3+4   .5      0    .5 .045  .012   .011   .010   .016      0      0 -.0022
Mg5    .25 .15017   .25 .854 .0116  .0107   .014  .0102      0 -.0006      0
Mg6    .25 .04883   .25 .961 .0065  .0091  .0082  .0021      0 -.0023      0
Si1      0    .25 .3779 .256 .0089   .010   .008  .0087      0      0      0
Si2      0 .15225 .6163 .425 .0020  .0044  .0004  .0012      0      0 -.0002
Si3      0 .04876 .6158 .514 .0100  .0072  .0110  .0119      0      0 -.0009
O1       0 -.0051 .2518   .5 .0133   .014   .015   .011      0      0  -.006
O2       0  .0998 .2263   .5 .0126  .0060   .020   .012      0      0  -.005
O3       0  .2029 .2636   .5 .0093   .012   .012   .004      0      0  -.004
O4    .241  .0512 .5056       .019   .033   .005   .018   .000  -.003  -.002
O5   .2426  .1517 .5032      .0024   .000   .000  .0063   .001 -.0024  .0001
O6   .2350    .25 .4948   .5 .0032  -.004   .012   .001      0 -.0032      0
O7       0  .0990 .7171   .5 .0118   .012   .011   .013      0      0  -.008
O8       0  .1962 .7429   .5 .0101   .010   .009   .011      0      0   .002
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Total number of retrieved datasets: 101
View in amc, download in amc
Number of datasets in this page:100


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