American Mineralogist Crystal Structure Database

137 matching records for this search.

Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #1 based on HCP stacking sequence ABAB. Has the bonding topology of
observed HT-C2/c pyroxenes.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002996
7.3936910 6 3.4641016 90 117.9383 90 C2/c
atom  x     y     z
Mg1   0 11/12   1/4
Mg2   0   .25   1/4
Si 5/16  1/12 19/48
O1  1/8  1/12  5/24
O2  3/8   .25  7/24
O3  3/8 11/12  7/24
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #2 based on stacking sequence ABAC. Ideal analogue of  protopyroxene,
high-P protopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002997
6.5319726 6 3.4641016 90 90 90 *P2_1cn
0 .25 0
atom    x     y   z
Mg1     0  1/12 2/3
Mg2     0   .25 1/6
SiA 11/16 11/12 5/6
SiB  5/16  1/12   0
O1A   7/8 11/12 5/6
O1B   1/8  1/12   0
O2A   5/8   3/4   0
O2B   3/8   .25 1/6
O3A   5/8 11/12 1/2
O3B   3/8 11/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3a based on stacking sequence ABABCACABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002998
6.6332495 6 3.4641016 90 100.0250 90 P2/c
atom    x     y     z
SiA 11/16  7/12  5/16
SiB 13/16 11/12  1/48
Mg1a    0  7/12   3/4
Mg2a    0   .25   3/4
Mg1b  1/2  1/12   3/4
Mg2b  1/2   3/4   3/4
O1A   7/8  7/12   3/8
O2A   5/8   3/4 11/24
O3A   5/8  5/12 11/24
O1B   5/8  1/12 11/24
O2B   7/8   .25   3/8
O3B   7/8 11/12   3/8
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #3b based on stacking sequence ABABCACABCBC. Ideal analogue of low
clinopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0002999
6.9282032 6 3.4641016 90 109.4712 90 P2_1/c
atom   x   y    z
SiA 1/16 1/3  3/8
SiB 9/16 5/6 5/24
Mg1  .25 2/3  1/6
Mg2  .25   0  1/6
O1A  7/8 1/3  1/4
O1B  3/8 5/6 1/12
O2A  1/8 1/2  1/4
O2B  5/8   0 5/12
O3A  1/8 1/3  3/4
O3B  5/8 2/3 5/12
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #4 based on CCP stacking sequence ABCABCABCABC. Ideal analogue of HP-C2/c
pyroxene and eight-coordinaSiEd Mg2-C2/c pyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003000
6.6332495 6.0 3.4641016 90 100.0250 90 C2/c
atom  x     y    z
Si 5/16  1/12 3/16
Mg1   0 11/12  1/4
Mg2   0   .25  1/4
O1  1/8  1/12  1/8
O2  3/8   .25  3/8
O3  3/8  1/12  7/8
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #5 based on stacking sequence ABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003001
13.063945 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA  31/32 11/12 1/6
SiB  29/32  5/12   0
Mg1a 13/16  1/12 1/3
Mg2a 13/16   3/4 1/3
SiC  23/32  7/12 5/6
SiD  21/32 11/12 1/2
Mg1b  9/16  7/12 1/6
Mg2b  9/16   .25 1/6
SiE  13/32  7/12 1/2
SiF  15/32  1/12 1/3
Mg1c  5/16  1/12 2/3
Mg2c  5/16   3/4 2/3
SiG   5/32  1/12   0
SiH   7/32  5/12 1/3
Mg1d  1/16  5/12 2/3
Mg2d  1/16   .25 1/6
O1A    7/8 11/12 1/6
O2A      0   3/4   0
O3A      0  1/12   0
O1B      0  5/12   0
O2B    7/8  7/12 1/6
O3B    7/8   3/4 2/3
O1C    5/8  5/12 1/3
O2C    3/4   3/4   0
O3C    3/4  5/12   0
O1D    3/4  1/12   0
O2D    5/8   3/4 1/3
O3D    5/8  1/12 1/3
O1E    1/2  5/12   0
O2E    3/8   3/4 1/3
O3E    3/8  5/12 1/3
O1F    3/8  1/12 1/3
O2F    1/2   3/4   0
O3F    1/2  1/12   0
O1G    .25  1/12   0
O2G    1/8   3/4 1/3
O3G    1/8  1/12 1/3
O1H    1/8  5/12 1/3
O2H    .25   .25 1/2
O3H    .25  5/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #6 based on stacking sequence ABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003002
13.063945 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA  31/32 11/12 1/6
SiB  29/32  5/12   0
Mg1a 13/16  1/12   0
Mg2a 13/16   3/4   0
SiC  23/32  5/12 2/3
SiD  21/32  1/12 1/3
Mg1b  9/16  5/12 1/3
Mg2b  9/16   3/4 1/3
SiE  13/32  7/12 1/2
SiF  15/32  1/12 1/3
Mg1c  5/16  1/12 2/3
Mg2c  5/16   3/4 2/3
SiG   5/32  1/12   0
SiH   7/32  5/12 1/3
Mg1d  1/16  5/12 2/3
Mg2d  1/16   .25 1/6
O1A    7/8 11/12 1/6
O2A      0   3/4   0
O3A      0  1/12   0
O1B      0  5/12   0
O2B    7/8  7/12 1/6
O3B    7/8   3/4 2/3
O1C    5/8  5/12 2/3
O2C    3/4   .25 5/6
O3C    3/4  5/12 1/3
O1D    3/4  1/12 1/3
O2D    5/8   .25 1/6
O3D    5/8 11/12 1/6
O1E    1/2  5/12   0
O2E    3/8   3/4 1/3
O3E    3/8  5/12 1/3
O1F    3/8  1/12 1/3
O2F    1/2   3/4   0
O3F    1/2  1/12   0
O1G    .25  1/12   0
O2G    1/8   3/4 1/3
O3G    1/8  1/12 1/3
O1H    1/8  5/12 1/3
O2H    .25   .25 1/2
O3H    .25  5/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #7 based on stacking sequence ABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003003
13.063945 6 3.4641016 90 90 90 P2_1ca
atom    x     y     z
SiA 31/32 11/12 11/12
SiB 29/32  5/12   3/4
Mg1a 5/16  1/12  5/12
Mg2a 5/16   3/4  5/12
SiC  5/32  1/12   3/4
SiD  7/32  5/12  1/12
Mg1b 1/16  5/12  5/12
Mg2b 1/16   .25 11/12
O1A   7/8 11/12 11/12
O2A     0   3/4   3/4
O3A     0  1/12   3/4
O1B     0  5/12   3/4
O2B   7/8  7/12 11/12
O3B   7/8   3/4  5/12
O1C   .25  1/12   3/4
O2C   1/8   3/4  1/12
O3C   1/8  1/12  1/12
O1D   1/8  5/12  1/12
O2D   .25   .25   1/4
O3D   .25  5/12   3/4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8a based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003004
13.063945 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA 29/32 11/12  1/12
SiB 27/32  5/12 11/12
SiC 13/32 11/12   3/4
SiD 11/32  7/12  1/12
Mg1a    0  5/12   1/4
Mg2a    0   .25   3/4
Mg1b  .25 11/12  1/12
Mg2b  .25   .25  1/12
Mg1c  1/2  7/12   3/4
Mg2c  1/2   .25   3/4
O1A 13/16 11/12  1/12
O2A 15/16   3/4 11/12
O3A 15/16  1/12 11/12
O1B 15/16  5/12 11/12
O2B 13/16   .25  1/12
O3B 13/16  7/12  1/12
O1C  5/16 11/12   3/4
O2C  7/16   3/4  7/12
O3C  7/16 11/12  1/12
O1D  7/16  7/12  1/12
O2D  5/16   3/4   1/4
O3D  5/16  7/12   3/4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #8b based on stacking sequence ABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003005
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA 31/32 1/6 1/3
Mg1a  7/8 2/3 1/2
Mg2a  7/8   0 1/2
SiB  9/32 1/3 1/6
SiC  7/32 2/3 1/2
SiD 15/32 1/3 1/6
Mg1b  3/8 2/3 1/6
Mg2b  3/8   0 1/6
O1A  1/16 1/6 1/3
O2A 15/16   0 1/6
O3A 15/16 1/3 1/6
O1B  3/16 1/3 1/6
O2B  5/16 1/2   0
O3B  5/16 1/3 1/2
O1C  5/16 2/3 1/2
O2C  3/16 1/2 2/3
O3C  3/16 2/3 1/6
O1D  9/16 1/3 1/6
O2D  7/16 1/2 1/3
O3D  7/16 1/6 1/3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9a based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003006
13.063948 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA 29/32 11/12  1/12
SiB 27/32  5/12 11/12
SiC 13/32 11/12   3/4
SiD 11/32  7/12  5/12
Mg1a    0  5/12   1/4
Mg2a    0   .25   3/4
Mg1b  .25 11/12  1/12
Mg2b  .25   .25  1/12
Mg1c  1/2  7/12   3/4
Mg2c  1/2   .25   3/4
O1A 13/16 11/12  1/12
O2A 15/16   3/4 11/12
O3A 15/16  1/12 11/12
O1B 15/16  5/12 11/12
O2B 13/16   .25  1/12
O3B 13/16  7/12  1/12
O1C  5/16 11/12   3/4
O2C  7/16   3/4 11/12
O3C  7/16  1/12 11/12
O1D  7/16  7/12  5/12
O2D  5/16   3/4   1/4
O3D  5/16  7/12   3/4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #9b based on stacking sequence ABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003007
13.063945 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA 31/32 1/6 1/3
Mg1a  7/8 2/3 1/2
Mg2a  7/8   0 1/2
SiB  9/32 1/3 1/6
SiC  7/32 2/3 1/2
SiD 15/32 1/6 1/3
Mg1b  3/8 2/3 5/6
Mg2b  3/8   0 5/6
O1A  1/16 1/6 1/3
O2A 15/16   0 1/6
O3A 15/16 1/3 1/6
O1B  3/16 1/3 1/6
O2B  5/16 1/2   0
O3B  5/16 1/3 1/2
O1C  5/16 2/3 1/2
O2C  3/16 1/2 2/3
O3C  3/16 2/3 1/6
O1D  9/16 1/6 1/3
O2D  7/16   0 1/6
O3D  7/16 1/3 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #10 based on stacking sequence ABACBABC. Ideal analogue to orthopyroxene.
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003008
13.063945 6 3.4641016 90 90 90 *P2_1ca
0 .25 0
atom    x   y    z
SiA  9/32 1/6 7/12
SiB  7/32 2/3 5/12
Mg1a  1/8 1/3 5/12
Mg2a  1/8   0 5/12
SiC 15/32 1/6  1/4
SiD 17/32 5/6 7/12
Mg1b  7/8 2/3  3/4
Mg2b  7/8 1/2  1/4
O1A  3/16 1/6 7/12
O2A  5/16   0 5/12
O3A  5/16 1/3 5/12
O1B  5/16 2/3 5/12
O2B  3/16 1/2 7/12
O3B  3/16 5/6 7/12
O1C  9/16 1/6  1/4
O2C  7/16   0 1/12
O3C  7/16 1/6 7/12
O1D  7/16 5/6 7/12
O2D  9/16   0  3/4
O3D  9/16 5/6  1/4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11a based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003009
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  5/12
SiB  5/48 1/12  7/12
SiC 11/48 1/12 11/12
SiD 13/48 5/12  7/12
SiE 19/48 5/12  7/12
SiF  7/16 1/12   1/4
Mg1a    0 1/12   1/4
Mg2a    0  .25   3/4
Mg1b  1/6 5/12   1/4
Mg2b  1/6  .25   3/4
Mg1c  1/3 1/12  7/12
Mg2c  1/3  .25  1/12
Mg1d  1/2 5/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 7/12  5/12
O2A  1/24  3/4  7/12
O3A  1/24 5/12  7/12
O1B  1/24 1/12  7/12
O2B   1/8  .25  5/12
O3B   1/8 1/12 11/12
O1C  7/24 1/12 11/12
O2C  5/24  .25  1/12
O3C  5/24 1/12  7/12
O1D  5/24 5/12  7/12
O2D  7/24  .25  5/12
O3D  7/24 7/12  5/12
O1E 11/24 5/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 7/12   3/4
O1F   3/8 1/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 1/12  7/12
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #11b based on stacking sequence ABABABABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003010
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2   0
Mg1b  .25 1/3 1/2
Mg2b  .25 1/2   0
Mg1c 5/12 5/6 2/3
Mg2c 5/12 1/2 2/3
SiA  7/48 1/6 1/3
SiB  3/16 5/6 2/3
SiC  5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 2/3
SiF  1/48 1/6 2/3
O1A  5/24 1/6 1/3
O2A   1/8   0 1/6
O3A   1/8 1/6 2/3
O1B   1/8 5/6 2/3
O2B  5/24   0 5/6
O3B  5/24 5/6 1/3
O1C   3/8 2/3 1/2
O2C  7/24 1/2 2/3
O3C  7/24 5/6 2/3
O1D  7/24 1/3 1/6
O2D   3/8 1/2   0
O3D   3/8 1/6   0
O1E 13/24 1/6 2/3
O2E 11/24   0 5/6
O3E 11/24 1/6 1/3
O1F 23/24 1/6 2/3
O2F  1/24   0 5/6
O3F  1/24 1/6 1/3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12a based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003011
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x     y     z
SiA  1/16  7/12  5/12
SiB  5/48  1/12  7/12
SiC 11/48  1/12 11/12
SiD 13/48  5/12  7/12
SiE 19/48  7/12  5/12
SiF  7/16  1/12   1/4
Mg1a    0  1/12   1/4
Mg2a    0   .25   3/4
Mg1b  1/6  5/12   1/4
Mg2b  1/6   .25   3/4
Mg1c  1/3  1/12  7/12
Mg2c  1/3   .25  1/12
Mg1d  1/2  5/12   1/4
Mg2d  1/2   .25   3/4
O1A   1/8  7/12  5/12
O2A  1/24   3/4  7/12
O3A  1/24  5/12  7/12
O1B  1/24  1/12  7/12
O2B   1/8   .25  5/12
O3B   1/8  1/12 11/12
O1C  7/24  1/12 11/12
O2C  5/24   .25  1/12
O3C  5/24  1/12  7/12
O1D  5/24  5/12  7/12
O2D  7/24   .25  5/12
O3D  7/24  7/12  5/12
O1E 11/24  7/12  5/12
O2E   3/8   .25   3/4
O3E   3/8  7/12   3/4
O1F   3/8  1/12   1/4
O2F 11/24   .25  5/12
O3F 11/24 11/12  5/12
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #12b based on stacking sequence ABABABABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003012
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
Mg1a 1/12 2/3 1/2
Mg2a 1/12 1/2   0
Mg1b  .25 1/3 1/2
Mg2b  .25 1/2   0
Mg1c 5/12 2/3 5/6
Mg2c 5/12 1/2 1/3
SiA  7/48 1/6 1/3
SiB  3/16 5/6 2/3
SiC  5/16 2/3 1/2
SiD 17/48 1/3 1/6
SiE 23/48 1/6 1/3
SiF  1/48 1/6 2/3
O1A  5/24 1/6 1/3
O2A   1/8   0 1/6
O3A   1/8 1/6 2/3
O1B   1/8 5/6 2/3
O2B  5/24   0 5/6
O3B  5/24 5/6 1/3
O1C   3/8 2/3 1/2
O2C  7/24 1/2 2/3
O3C  7/24 5/6 2/3
O1D  7/24 1/3 1/6
O2D   3/8 1/2   0
O3D   3/8 1/6   0
O1E 13/24 1/6 1/3
O2E 11/24   0 1/6
O3E 11/24 1/6 2/3
O1F 23/24 1/6 2/3
O2F  1/24   0 5/6
O3F  1/24 1/6 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #13 based on stacking sequence ABABABACACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003013
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3 1/3
SiB   1/16 1/3   0
SiC   3/16 1/6 5/6
SiD  11/48 2/3   0
SiE  17/48 2/3 1/3
SiF  19/48 1/3   0
Mg1a   1/8 2/3 2/3
Mg2a   1/8   0 2/3
Mg1b  7/24 1/3 2/3
Mg2b  7/24   0 2/3
Mg1c 11/24 2/3 2/3
Mg2c 11/24   0 2/3
O1A   1/12 2/3 1/3
O2A      0 1/2 1/2
O3A      0 5/6 1/2
O1B      0 1/3   0
O2B   1/12   0 1/3
O3B   1/12 1/3 1/3
O1C    .25 1/6 5/6
O2C    1/6   0   0
O3C    1/6 1/3   0
O1D    1/6 2/3   0
O2D    .25   0 1/3
O3D    .25 2/3 1/3
O1E   5/12 2/3 1/3
O2E    1/3   0   0
O3E    1/3 2/3   0
O1F    1/3 1/3   0
O2F   5/12   0 1/3
O3F   5/12 1/3 1/3
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14a based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003014
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  7/48 5/6 2/3
SiB  3/16 1/6 1/3
SiC  5/16 1/6 1/3
SiD 17/48 5/6   0
SiE 25/48 1/3 1/6
SiF  1/48 5/6 1/3
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
Mg1b  .25 2/3 5/6
Mg2b  .25 1/2 1/3
Mg1c 5/12 1/6   0
Mg2c 5/12   0 1/2
O1A  5/24 5/6 2/3
O2A   1/8   0 5/6
O3A   1/8 5/6 1/3
O1B   1/8 1/6 1/3
O2B  5/24   0 1/6
O3B  5/24 1/6 2/3
O1C   3/8 1/6 1/3
O2C  7/24   0 1/2
O3C  7/24 1/6   0
O1D  7/24 5/6   0
O2D   3/8   0 5/6
O3D   3/8 5/6 1/3
O1E 11/24 1/3 1/6
O2E 13/24   0 5/6
O3E 13/24 1/6 1/3
O1F 23/24 5/6 1/3
O2F  1/24   0 1/6
O3F  1/24 5/6 2/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #14b based on stacking sequence ABABABCABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003015
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  1/12
SiB  5/48 1/12 11/12
SiC 11/48 1/12   1/4
SiD 13/48 7/12  5/12
SiE 19/48 7/12  5/12
SiF  7/16 1/12  7/12
Mg1a    0 1/12   1/4
Mg2a    0  .25   3/4
Mg1b  1/6 5/12   1/4
Mg2b  1/6  .25   3/4
Mg1c  1/3 1/12 11/12
Mg2c  1/3  .25  5/12
Mg1d  1/2 5/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 7/12  1/12
O2A  1/24  .25  5/12
O3A  1/24 7/12  5/12
O1B  1/24 1/12 11/12
O2B   1/8  .25  1/12
O3B   1/8 1/12  7/12
O1C  7/24 1/12   1/4
O2C  5/24  .25  5/12
O3C  5/24 1/12 11/12
O1D  5/24 7/12  5/12
O2D  7/24  3/4   1/4
O3D  7/24 5/12   1/4
O1E 11/24 7/12  5/12
O2E   3/8  .25  1/12
O3E   3/8 7/12  1/12
O1F   3/8 1/12  7/12
O2F 11/24  .25  5/12
O3F 11/24 1/12 11/12
Download AMC data (View Text File)
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Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15a based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003016
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 5/6 1/3
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
SiB  7/48 2/3 1/6
SiC  3/16 1/6 1/3
Mg1b  .25 2/3 5/6
Mg2b  .25   0 5/6
SiD  5/16 1/3 1/6
SiE 17/48 5/6   0
Mg1c 5/12 1/6   0
Mg2c 5/12   0 1/2
SiF 23/48 2/3 1/6
O1A 23/24 5/6 1/3
O2A  1/24   0 1/6
O3A  1/24 5/6 2/3
O1B  5/24 2/3 1/6
O2B   1/8   0 5/6
O3B   1/8 5/6 1/3
O1C   1/8 1/6 1/3
O2C  5/24   0 1/6
O3C  5/24 1/3 1/6
O1D   3/8 1/3 1/6
O2D  7/24   0 1/2
O3D  7/24 1/6   0
O1E  7/24 5/6   0
O2E   3/8   0 1/6
O3E   3/8 2/3 1/6
O1F 13/24 2/3 1/6
O2F 11/24   0 5/6
O3F 11/24 5/6 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #15b based on stacking sequence ABABABCBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003017
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
SiA  1/16 7/12  1/12
SiB  5/48 1/12 11/12
Mg1a  1/6 5/12   1/4
Mg2a  1/6  .25   3/4
SiC 11/48 1/12   1/4
SiD 13/48 7/12  5/12
Mg1b  1/3 1/12  7/12
Mg2b  1/3  .25  1/12
SiE 19/48 7/12  1/12
SiF  7/16 1/12 11/12
Mg1c  1/2 5/12   1/4
Mg2c  1/2  .25   3/4
Mg1d    0 1/12   1/4
Mg2d    0  .25   3/4
O1A   1/8 7/12  1/12
O2A  1/24  .25  5/12
O3A  1/24 7/12  5/12
O1B  1/24 1/12 11/12
O2B   1/8  .25  1/12
O3B   1/8 1/12  7/12
O1C  7/24 1/12   1/4
O2C  5/24  .25  5/12
O3C  5/24 1/12 11/12
O1D  5/24 7/12  5/12
O2D  7/24  .25   3/4
O3D  7/24 5/12   1/4
O1E 11/24 7/12  1/12
O2E   3/8  .25  5/12
O3E   3/8 7/12  5/12
O1F   3/8 1/12 11/12
O2F 11/24  .25  1/12
O3F 11/24 1/12  7/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #16 based on stacking sequence ABABACABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003018
19.899748 6 3.4641016 90 100.024987862 90 Cc
atom     x    y     z
SiA   1/48 5/12 17/48
SiB   1/16 1/12  1/16
Mg1a   1/8 5/12 19/24
Mg2a   1/8  .25  7/24
SiC   3/16 1/12 25/48
SiD  11/48 5/12 11/48
Mg1b  7/24 1/12 23/24
Mg2b  7/24  .25 11/24
SiE  17/48 7/12 25/48
SiF  19/48 1/12 19/48
Mg1c 11/24 5/12 19/24
Mg2c 11/24  .25  7/24
O1A   1/12 5/12  5/12
O2A      0  3/4     0
O3A      0 5/12     0
O1B      0 1/12     0
O2B   1/12  .25 11/12
O3B   1/12 1/12  5/12
O1C    .25 1/12  7/12
O2C    1/6  .25   2/3
O3C    1/6 1/12   1/6
O1D    1/6 5/12   1/6
O2D    .25  3/4  7/12
O3D    .25 5/12  7/12
O1E   5/12 7/12  7/12
O2E    1/3  3/4   1/3
O3E    1/3 5/12   1/3
O1F    1/3 1/12   1/3
O2F   5/12  .25  7/12
O3F   5/12 1/12  1/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17a based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003019
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12  7/12
SiB  5/48 7/12  5/12
Mg1b  1/6 1/12 11/12
Mg2b  1/6  .25  5/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12   1/4
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12  7/12
SiF  7/16 5/12   1/4
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12  7/12
O2A  1/24  .25  5/12
O3A  1/24 1/12 11/12
O1B  1/24 7/12  5/12
O2B   1/8  .25  1/12
O3B   1/8 7/12  1/12
O1C  7/24 7/12  1/12
O2C  5/24  3/4   1/4
O3C  5/24 5/12   1/4
O1D  5/24 1/12   1/4
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E 11/24 1/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 1/12   1/4
O1F   3/8 5/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 7/12  1/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #17b based on stacking sequence ABABACACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003020
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 2/3 1/3
Mg1a 1/12 1/6 1/2
Mg2a 1/12   0   0
SiB  7/48 2/3   0
SiC  3/16 1/3 1/3
Mg1b  .25 2/3 2/3
Mg2b  .25   0 2/3
SiD  5/16 1/3   0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12   0 2/3
SiF 23/48 5/6 1/6
O1A 23/24 2/3 1/3
O2A  1/24   0 2/3
O3A  1/24 2/3 2/3
O1B  5/24 2/3   0
O2B   1/8   0 1/3
O3B   1/8 2/3 1/3
O1C   1/8 1/3 1/3
O2C  5/24   0   0
O3C  5/24 1/3   0
O1D   3/8 1/3   0
O2D  7/24   0 1/3
O3D  7/24 1/3 1/3
O1E  7/24 2/3 1/3
O2E   3/8   0   0
O3E   3/8 2/3   0
O1F 13/24 5/6 1/6
O2F 11/24   0 1/3
O3F 11/24 2/3 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #18 based on stacking sequence ABABACBABABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003021
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/16 1/6 1/3
SiB   1/48 2/3 1/6
Mg1a   1/8 2/3 1/2
Mg2a   1/8   0 1/2
SiC   3/16 1/3 1/6
SiD  11/48 5/6 1/3
Mg1b  7/24 1/6   0
Mg2b  7/24   0 1/2
SiE  17/48 5/6   0
SiF  19/48 1/6 1/3
Mg1c 11/24 2/3 5/6
Mg2c 11/24   0 5/6
O1A      0 1/6 1/3
O2A   1/12   0 1/6
O3A   1/12 1/3 1/6
O1B   1/12 2/3 1/6
O2B      0   0 5/6
O3B      0 2/3 5/6
O1C    .25 1/3 1/6
O2C    1/6 1/2 1/3
O3C    1/6 1/6 1/3
O1D    1/6 5/6 1/3
O2D    .25   0 1/6
O3D    .25 2/3 1/6
O1E   5/12 5/6   0
O2E    1/3   0 5/6
O3E    1/3 2/3 5/6
O1F    1/3 1/6 1/3
O2F   5/12   0 1/2
O3F   5/12 1/6   0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19a based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003022
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 1/3 1/3
Mg1a 1/12 2/3 1/3
Mg2a 1/12 1/2 5/6
SiB  7/48 1/3 1/3
SiC  3/16 2/3   0
Mg1b  .25 1/6 1/6
Mg2b  .25   0 2/3
SiD  5/16 2/3 1/3
SiE 17/48 1/3   0
Mg1c 5/12 2/3   0
Mg2c 5/12   0   0
SiF 23/48 1/3 1/3
O1A 23/24 1/3 1/3
O2A  1/24   0 2/3
O3A  1/24 1/3 2/3
O1B  5/24 1/3 1/3
O2B   1/8   0   0
O3B   1/8 1/6 1/2
O1C   1/8 2/3   0
O2C  5/24   0 1/3
O3C  5/24 2/3 1/3
O1D   3/8 2/3 1/3
O2D  7/24   0   0
O3D  7/24 2/3   0
O1E  7/24 1/3   0
O2E   3/8   0 1/3
O3E   3/8 1/3 1/3
O1F 13/24 1/3 1/3
O2F 11/24   0 2/3
O3F 11/24 1/3 2/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #19b based on stacking sequence ABABCABCBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003023
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12   1/4
SiB  5/48 5/12 11/12
Mg1b  1/6 1/12 11/12
Mg2b  1/6  .25  5/12
SiC 11/48 5/12   1/4
SiD 13/48 1/12  7/12
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12 11/12
SiF  7/16 7/12  1/12
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12   1/4
O2A  1/24  .25  5/12
O3A  1/24 1/12 11/12
O1B  1/24 7/12  5/12
O2B   1/8  3/4   1/4
O3B   1/8 7/12   3/4
O1C  7/24 5/12   1/4
O2C  5/24  .25  1/12
O3C  5/24 7/12  1/12
O1D  5/24 1/12  7/12
O2D  7/24  .25   3/4
O3D  7/24 1/12   1/4
O1E 11/24 1/12 11/12
O2E   3/8  .25  1/12
O3E   3/8 1/12  7/12
O1F   3/8 7/12  1/12
O2F 11/24  .25  5/12
O3F 11/24 7/12  5/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20a based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003024
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12 11/12
SiB  5/48 7/12  1/12
Mg1b  1/6 1/12  7/12
Mg2b  1/6  .25  1/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12   1/4
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE  7/16 5/12   1/4
SiF 19/48 1/12 11/12
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12 11/12
O2A  1/24  .25  1/12
O3A  1/24 1/12  7/12
O1B  1/24 7/12  1/12
O2B   1/8  .25  5/12
O3B   1/8 7/12  5/12
O1C  7/24 7/12  1/12
O2C  5/24  3/4   1/4
O3C  5/24 5/12   1/4
O1D  5/24 1/12   1/4
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E   5/8 5/12   1/4
O2E 13/24  .25  1/12
O3E 13/24 7/12  1/12
O1F 13/24 1/12  7/12
O2F   5/8  .25   3/4
O3F   5/8 1/12   1/4
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #20b based on stacking sequence ABABCACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003025
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 2/3 1/6
Mg1a 1/12 1/6   0
Mg2a 1/12   0 1/2
SiB  7/48 5/6   0
SiC  3/16 1/3 1/6
Mg1b  .25 2/3 1/6
Mg2b  .25   0 1/6
SiD  5/16 1/6   0
SiE 17/48 5/6 1/3
Mg1c 5/12 1/6 1/3
Mg2c 5/12   0 5/6
SiF 23/48 5/6 1/3
O1A 23/24 2/3 1/6
O2A  1/24   0 5/6
O3A  1/24 5/6 1/3
O1B  5/24 5/6   0
O2B   1/8   0 1/6
O3B   1/8 2/3 1/6
O1C   1/8 1/3 1/6
O2C  5/24 1/2   0
O3C  5/24 1/6   0
O1D   3/8 1/6   0
O2D  7/24   0 5/6
O3D  7/24 1/6 1/3
O1E  7/24 5/6 1/3
O2E   3/8 1/2   0
O3E   3/8 5/6   0
O1F 13/24 5/6 1/3
O2F 11/24   0 1/6
O3F 11/24 2/3 1/6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21a based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003026
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3   0
SiB   1/16 1/6 1/6
Mg1a   1/8 2/3 1/3
Mg2a   1/8   0 1/3
SiC   3/16 1/3   0
SiD  11/48 5/6 1/6
Mg1b  7/24 1/6 1/6
Mg2b  7/24   0 2/3
SiE  17/48 5/6 1/6
SiF  19/48 1/3 1/3
Mg1c 11/24 2/3   0
Mg2c 11/24   0   0
O1A   1/12 2/3   0
O2A      0   0 2/3
O3A      0 2/3 2/3
O1B      0 1/6 1/6
O2B   1/12   0   0
O3B   1/12 1/3   0
O1C    .25 1/3   0
O2C    1/6   0 2/3
O3C    1/6 1/3 2/3
O1D    1/6 5/6 1/6
O2D    .25   0   0
O3D    .25 2/3   0
O1E   5/12 5/6 1/6
O2E    1/3   0 1/3
O3E    1/3 2/3 1/3
O1F    1/3 1/3 1/3
O2F   5/12   0 2/3
O3F   5/12 1/6 1/6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #21b based on stacking sequence ABABCACBCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003027
19.595917 6 3.4641016 90 90 90 P2_1cn
atom    x   y   z
Mg1a 1/24 2/3 1/3
Mg2a 1/24 1/2 5/6
SiA  5/48 1/6 1/6
SiB  7/48 2/3   0
Mg1b 5/24 1/6 5/6
Mg2b 5/24   0 1/3
SiC 13/48 2/3 1/3
SiD  5/16 1/3   0
Mg1c  3/8 2/3   0
Mg2c  3/8   0   0
SiE  7/16 1/3 1/3
SiF 23/48 5/6 1/6
O1A   1/6 1/6 1/6
O2A  1/12   0   0
O3A  1/12 1/3   0
O1B  1/12 2/3   0
O2B   1/6   0 2/3
O3B   1/6 2/3 2/3
O1C   1/3 2/3 1/3
O2C   .25   0   0
O3C   .25 2/3   0
O1D   .25 1/3   0
O2D   1/3   0 1/3
O3D   1/3 1/3 1/3
O1E   1/2 1/3 1/3
O2E  5/12   0 2/3
O3E  5/12 1/3 2/3
O1F  5/12 5/6 1/6
O2F   1/2   0 1/3
O3F   1/2 2/3 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22a based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003028
19.595917 6 3.4641016 90 90. 90 P2/c
atom    x    y     z
Mg1a    0 5/12   1/4
Mg2a    0  .25   3/4
SiA  1/16 1/12   1/4
SiB  5/48 7/12  1/12
Mg1b  1/6 1/12  7/12
Mg2b  1/6  .25  1/12
SiC 11/48 7/12  1/12
SiD 13/48 1/12 11/12
Mg1c  1/3 5/12 11/12
Mg2c  1/3  .25  5/12
SiE 19/48 1/12  7/12
SiF  7/16 5/12   1/4
Mg1d  1/2 1/12   1/4
Mg2d  1/2  .25   3/4
O1A   1/8 1/12   1/4
O2A  1/24  .25  1/12
O3A  1/24 1/12  7/12
O1B  1/24 7/12  1/12
O2B   1/8  3/4   1/4
O3B   1/8 5/12   1/4
O1C  7/24 7/12  1/12
O2C  5/24  .25  5/12
O3C  5/24 7/12  5/12
O1D  5/24 1/12 11/12
O2D  7/24  .25  1/12
O3D  7/24 1/12  7/12
O1E 11/24 1/12  7/12
O2E   3/8  .25   3/4
O3E   3/8 1/12   1/4
O1F   3/8 5/12   1/4
O2F 11/24  .25  1/12
O3F 11/24 7/12  1/12
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #22b based on stacking sequence ABACBACBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003029
19.595917 6 3.4641016 90 90. 90 P2_1/c
atom    x   y   z
SiA  1/48 5/6 1/6
Mg1a 1/12 1/6 1/6
Mg2a 1/12   0 2/3
SiB  7/48 5/6 1/6
SiC  3/16 1/3   0
Mg1b  .25 2/3   0
Mg2b  .25   0   0
SiD  5/16 1/3   0
SiE 17/48 2/3 1/3
Mg1c 5/12 1/6 1/6
Mg2c 5/12   0 2/3
SiF 23/48 2/3 2/3
O1A 23/24 5/6 1/6
O2A  1/24   0 1/3
O3A  1/24 2/3 1/3
O1B  5/24 5/6 1/6
O2B   1/8   0   0
O3B   1/8 2/3   0
O1C   1/8 1/3   0
O2C  5/24   0 2/3
O3C  5/24 1/6 1/6
O1D   3/8 1/3   0
O2D  7/24   0 1/3
O3D  7/24 1/3 1/3
O1E  7/24 2/3 1/3
O2E   3/8   0   0
O3E   3/8 2/3   0
O1F 13/24 2/3 2/3
O2F 11/24   0 1/3
O3F 11/24 2/3 1/3
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #23 based on stacking sequence ABACBACBCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003030
19.595917 6 3.4641016 90 90 90 P2_1cn
atom     x   y   z
SiA   1/48 2/3   0
SiB   1/16 1/6 1/6
Mg1a   1/8 2/3 1/3
Mg2a   1/8   0 1/3
SiC   3/16 1/3 1/3
SiD  11/48 5/6 1/6
Mg1b  7/24 1/6 1/6
Mg2b  7/24   0 2/3
SiE  17/48 5/6 1/6
SiF  19/48 1/3   0
Mg1c 11/24 2/3   0
Mg2c 11/24   0   0
O1A   1/12 2/3   0
O2A      0   0 2/3
O3A      0 2/3 2/3
O1B      0 1/6 1/6
O2B   1/12   0   0
O3B   1/12 1/3   0
O1C    .25 1/3 1/3
O2C    1/6   0 2/3
O3C    1/6 1/3 2/3
O1D    1/6 5/6 1/6
O2D    .25   0 1/3
O3D    .25 2/3 1/3
O1E   5/12 5/6 1/6
O2E    1/3   0   0
O3E    1/3 2/3   0
O1F    1/3 1/3   0
O2F   5/12   0 2/3
O3F   5/12 1/6 1/6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #24 based on stacking sequence ABACBCABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003031
19.899748 6 3.4641016 90 100.024987862 90 C2/c
atom    x    y     z
Mg1a    0 5/12   3/4
Mg2a    0  .25   1/4
SiA  1/16 1/12 13/16
SiB  5/48 5/12 25/48
Mg1b  1/6 1/12   1/4
Mg2b  1/6  .25   3/4
SiC 11/48 5/12  5/16
O1A   1/8 1/12   7/8
O2A  1/24  .25 23/24
O3A  1/24 1/12 11/24
O1B  1/24 5/12 11/24
O2B   1/8  .25   3/8
O3B   1/8 7/12   3/8
O1C  7/24 5/12   3/8
O2C  5/24  3/4   5/8
O3C  5/24 5/12   5/8
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #25 based on stacking sequence ABABABABABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003032
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 5/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/6
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #26 based on stacking sequence ABABABABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003033
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #27 based on stacking sequence ABABABABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003034
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/2
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #28 based on stacking sequence ABABABACABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003035
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 5/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/6
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29a based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003036
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/2
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #29b based on stacking sequence ABABABACACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003037
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16 11/12 1/2
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 1/2
SiH  31/48 11/12 1/6
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48 11/12 5/6
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12   0
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/2
O3F    1/2  5/12   0
O1G    2/3  5/12   0
O2G   7/12   .25 1/6
O3G   7/12  7/12 1/6
O1H   7/12  1/12 2/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #30 based on stacking sequence ABABABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003038
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12   0
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12   0
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #31 based on stacking sequence ABABABACBCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003039
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 2/3
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32a based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003040
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #32b based on stacking sequence ABABABCABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003041
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 2/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12   0
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33a based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003042
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #33b based on stacking sequence ABABABCABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003043
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12 1/3
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   .25 5/6
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34a based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003044
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12 1/3
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12   0
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #34b based on stacking sequence ABABABCACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003045
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  5/12 2/3
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 1/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  5/12 2/3
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12   0
O2J    3/4   .25 5/6
O3J    3/4  1/12 1/3
O1K    3/4  5/12 1/3
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35a based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003046
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12 1/3
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48  1/12   0
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #35b based on stacking sequence ABABABCBACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003047
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 2/3
Mg2c   3/8   .25 1/6
SiE   7/16  1/12 2/3
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12   0
Mg2d 13/24   .25 1/2
SiG  29/48  5/12   0
SiH  31/48  1/12 1/3
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48  1/12   0
SiK  13/16  5/12 2/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 2/3
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   .25 1/6
O3F    1/2  5/12 2/3
O1G    2/3  5/12   0
O2G   7/12   3/4 1/3
O3G   7/12  5/12 1/3
O1H   7/12  1/12 1/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12   0
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #36 based on stacking sequence ABABACABACAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003048
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #37a based on stacking sequence ABABACABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003049
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8 11/12 1/6
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48 11/12 1/2
Mg1e 19/24  7/12 1/2
Mg2e 19/24   .25 1/2
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   .25 1/2
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #37b based on stacking sequence ABABACABACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003050
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12   0
SiF  23/48  7/12 1/6
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  5/12   0
SiH  31/48  1/12 1/3
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48 11/12 5/6
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12   0
O2E   5/12   .25 1/6
O3E   5/12  1/12 2/3
O1F   5/12  7/12 1/6
O2F    1/2   3/4   0
O3F    1/2  5/12   0
O1G    2/3  5/12   0
O2G   7/12   3/4 1/3
O3G   7/12  5/12 1/3
O1H   7/12  1/12 1/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #38a based on stacking sequence ABABACABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003051
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12   0
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12 7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12   0
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #38b based on stacking sequence ABABACABCABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003052
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12   0
SiF  23/48  7/12 1/6
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 1/6
SiH  31/48  1/12 1/3
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48  1/12 1/3
SiK  13/16  5/12   0
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12   0
O2E   5/12   .25 1/6
O3E   5/12  1/12 2/3
O1F   5/12  7/12 1/6
O2F    1/2   3/4   0
O3F    1/2  5/12   0
O1G    2/3  7/12 1/6
O2G   7/12   3/4 1/3
O3G   7/12  5/12 1/3
O1H   7/12  1/12 1/3
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/2
O3J    3/4  1/12   0
O1K    3/4  5/12   0
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #39 based on stacking sequence ABABACABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003053
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12 1/3
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #40a based on stacking sequence ABABACACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003054
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12   0
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12   0
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #40b based on stacking sequence ABABACACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003055
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12   0
SiF  23/48  7/12 1/6
Mg1d 13/24  1/12 1/3
Mg2d 13/24   .25 5/6
SiG  29/48  5/12 1/3
SiH  31/48  1/12 2/3
Mg1e 17/24  5/12 2/3
Mg2e 17/24   .25 1/6
SiJ  37/48  1/12 1/3
SiK  13/16  5/12   0
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12   0
O2E   5/12   .25 1/6
O3E   5/12  1/12 2/3
O1F   5/12  7/12 1/6
O2F    1/2   3/4   0
O3F    1/2  5/12   0
O1G    2/3  5/12 1/3
O2G   7/12   .25 1/6
O3G   7/12  7/12 1/6
O1H   7/12  1/12 2/3
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/2
O3J    3/4  1/12   0
O1K    3/4  5/12   0
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #41 based on stacking sequence ABABACACBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003056
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  7/12 1/6
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 1/3
Mg2e 19/24   .25 5/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  7/12 1/6
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42a based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003057
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12   0
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #42b based on stacking sequence ABABACBABCBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003058
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/2
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  7/12 1/6
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12 1/3
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  5/12   0
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/2
O3D    1/3  1/12   0
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/6
O3E   5/12  1/12 2/3
O1F   5/12  7/12 1/6
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   .25 5/6
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #43 based on stacking sequence ABABACBACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003059
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24  .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12   0
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12   0
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12  .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12   0
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12   0
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #44 based on stacking sequence ABABACBCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003060
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24 11/12 1/6
Mg2b  7/24   .25 1/6
SiE  17/48  7/12 1/6
SiF  19/48  1/12   0
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12 2/3
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 1/6
SiK  35/48  1/12   0
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 1/6
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 1/6
O3F   5/12  1/12 2/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 2/3
O2J    2/3   3/4   0
O3J    2/3  1/12   0
O1K    2/3  5/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45a based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003061
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12   0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12   0
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 2/3
SiK  35/48  1/12 1/3
Mg1e 19/24  7/12 5/6
Mg2e 19/24   .25 5/6
SiL  41/48 11/12 1/6
SiM  43/48  7/12 1/2
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12   0
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 2/3
O2J    2/3   .25 5/6
O3J    2/3  7/12 5/6
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #45b based on stacking sequence ABABCABABCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003062
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  5/12   0
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 5/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 2/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/2
O3E   5/12  1/12   0
O1F   5/12  5/12   0
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  7/12 5/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 5/6
O3H    2/3  1/12 1/3
O1J    5/6  1/12   0
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46a based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003063
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12   0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12   0
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12   0
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12   0
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12   0
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #46b based on stacking sequence ABABCABACABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003064
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  5/12   0
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 1/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48  1/12 1/3
SiK  13/16  5/12   0
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/2
O3E   5/12  1/12   0
O1F   5/12  5/12   0
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  7/12 1/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/2
O3J    3/4  1/12   0
O1K    3/4  5/12   0
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #47a based on stacking sequence ABABCABACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003065
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12 0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12   0
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12 1/3
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12   0
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   3/4   0
O3H   7/12  5/12   0
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #47b based on stacking sequence ABABCABACBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003066
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  5/12   0
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 1/6
SiH  31/48  1/12   0
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 1/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/2
O3E   5/12  1/12   0
O1F   5/12  5/12   0
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  7/12 1/6
O2G   7/12   .25 1/2
O3G   7/12  5/12   0
O1H   7/12  1/12   0
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12   0
O2J    3/4   .25 5/6
O3J    3/4  1/12 1/3
O1K    3/4  5/12 1/3
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #48a based on stacking sequence ABABCABCABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003067
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12   0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  5/12 1/3
SiK  35/48  1/12   0
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12 2/3
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12 1/3
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #48b based on stacking sequence ABABCABCABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003068
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  5/12   0
Mg1d 13/24  1/12   0
Mg2d 13/24   .25 1/2
SiG  29/48  5/12   0
SiH  31/48  1/12 2/3
Mg1e 17/24  5/12 2/3
Mg2e 17/24   .25 1/6
SiJ  37/48  1/12   0
SiK  13/16  5/12 1/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/2
O3E   5/12  1/12   0
O1F   5/12  5/12   0
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  5/12   0
O2G   7/12   .25 1/6
O3G   7/12  7/12 1/6
O1H   7/12  1/12 2/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12   0
O2J    3/4   .25 5/6
O3J    3/4  1/12 1/3
O1K    3/4  5/12 1/3
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #49a based on stacking sequence ABABCABCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003069
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12   0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12 1/3
Mg1d   5/8  1/12 1/3
Mg2d   5/8   .25 5/6
SiJ  11/16  7/12 1/6
SiK  35/48  1/12   0
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12  .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12 2/3
O2G    1/2   .25 5/6
O3G    1/2  1/12 1/3
O1H    1/2  5/12 1/3
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  7/12 1/6
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #49b based on stacking sequence ABABCABCACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003070
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12 1/3
Mg2c   3/8   .25 5/6
SiE   7/16  1/12 1/3
SiF  23/48  5/12   0
Mg1d 13/24  1/12   0
Mg2d 13/24   .25 1/2
SiG  29/48  5/12   0
SiH  31/48  1/12 2/3
Mg1e 17/24  5/12 1/3
Mg2e 17/24   .25 5/6
SiJ  37/48  1/12 1/3
SiK  13/16  7/12 1/6
Mg1f   7/8  1/12   0
Mg2f   7/8   .25 1/2
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12 1/3
O2E   5/12   .25 1/2
O3E   5/12  1/12   0
O1F   5/12  5/12   0
O2F    1/2   3/4 1/3
O3F    1/2  5/12 1/3
O1G    2/3  5/12   0
O2G   7/12   .25 1/6
O3G   7/12  7/12 1/6
O1H   7/12  1/12 2/3
O2H    2/3   .25 1/2
O3H    2/3  1/12   0
O1J    5/6  1/12 1/3
O2J    3/4   .25 1/6
O3J    3/4  1/12 2/3
O1K    3/4  7/12 1/6
O2K    5/6   3/4 1/3
O3K    5/6  5/12 1/3
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #50 based on stacking sequence ABABCACBABAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003071
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12   0
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 1/3
Mg2c 11/24   .25 5/6
SiG  25/48  1/12 1/3
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  5/12 1/3
SiK  35/48  1/12   0
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12   0
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 1/2
O3F   5/12  1/12   0
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 1/3
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #51a based on stacking sequence ABABCBABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003072
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  7/12 5/6
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48 11/12 5/6
SiH   9/16  7/12 1/2
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12 1/3
SiK  35/48  1/12 2/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  7/12 5/6
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 1/3
O2J    2/3   .25 1/6
O3J    2/3  7/12 1/6
O1K    2/3  1/12 2/3
O2K    3/4   .25 5/6
O3K    3/4  1/12 1/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #51b based on stacking sequence ABABCBABCBAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003073
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
Mg1a  1/24  7/12 1/6
Mg2a  1/24   .25 1/6
SiA   5/48  1/12   0
SiB   7/48  5/12 1/3
Mg1b  5/24  1/12 2/3
Mg2b  5/24   .25 1/6
SiC  13/48  7/12 1/6
SiD   5/16  1/12 1/3
Mg1c   3/8  5/12   0
Mg2c   3/8   .25 1/2
SiE   7/16  1/12   0
SiF  23/48  5/12 1/3
Mg1d 13/24  1/12 2/3
Mg2d 13/24   .25 1/6
SiG  29/48  7/12 1/6
SiH  31/48  1/12 1/3
Mg1e 17/24  5/12   0
Mg2e 17/24   .25 1/2
SiJ  37/48  1/12   0
SiK  13/16  5/12 1/3
Mg1f   7/8  1/12 1/3
Mg2f   7/8   .25 5/6
SiL  15/16  7/12 1/2
SiM  47/48 11/12 1/6
O1A    1/6  1/12   0
O2A   1/12   .25 5/6
O3A   1/12  1/12 1/3
O1B   1/12  5/12 1/3
O2B    1/6   .25 1/2
O3B    1/6  5/12   0
O1C    1/3  7/12 1/6
O2C    .25   3/4 1/3
O3C    .25  5/12 1/3
O1D    .25  1/12 1/3
O2D    1/3   .25 1/6
O3D    1/3  1/12 2/3
O1E    1/2  1/12   0
O2E   5/12   .25 5/6
O3E   5/12  1/12 1/3
O1F   5/12  5/12 1/3
O2F    1/2   3/4   0
O3F    1/2  5/12   0
O1G    2/3  7/12 1/6
O2G   7/12   3/4 1/3
O3G   7/12  5/12 1/3
O1H   7/12  1/12 1/3
O2H    2/3   .25 1/6
O3H    2/3  1/12 2/3
O1J    5/6  1/12   0
O2J    3/4   .25 5/6
O3J    3/4  1/12 1/3
O1K    3/4  5/12 1/3
O2K    5/6   3/4   0
O3K    5/6  5/12   0
O1L      0  5/12   0
O2L  11/12   .25 1/6
O3L  11/12  7/12 1/6
O1M  11/12  1/12 2/3
O2M      0   .25 1/2
O3M      0  1/12   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)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #52 based on stacking sequence ABABCBACBCAC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003074
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16 11/12 5/6
SiD  11/48  7/12 1/2
Mg1b  7/24  1/12   0
Mg2b  7/24   .25 1/2
SiE  17/48  5/12 1/3
SiF  19/48  1/12 2/3
Mg1c 11/24  5/12 2/3
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  7/12 1/6
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 1/3
Mg2e 19/24   .25 5/6
SiL  41/48  1/12 2/3
SiM  43/48  5/12   0
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12 7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 1/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 5/6
O3D    .25  5/12 1/3
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/6
O3E    1/3  7/12 1/6
O1F    1/3  1/12 2/3
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  7/12 1/6
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 1/2
O3L    5/6  1/12   0
O1M    5/6  5/12   0
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #53 based on stacking sequence ABACABACBABC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003075
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16  1/12 2/3
SiD  11/48  5/12   0
Mg1b  7/24  1/12 1/3
Mg2b  7/24   .25 5/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  7/12 1/6
Mg2c 11/24   .25 1/6
SiG  25/48  1/12 2/3
SiH   9/16  5/12   0
Mg1d   5/8  1/12   0
Mg2d   5/8   .25 1/2
SiJ  11/16  5/12   0
SiK  35/48  1/12 1/3
Mg1e 19/24  5/12 2/3
Mg2e 19/24   .25 1/6
SiL  41/48 11/12 1/6
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 2/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 1/6
O3D    .25  7/12 1/6
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 2/3
O2G    1/2   .25 1/2
O3G    1/2  1/12   0
O1H    1/2  5/12   0
O2H   7/12   .25 1/6
O3H   7/12  7/12 1/6
O1J    3/4  5/12   0
O2J    2/3   3/4 1/3
O3J    2/3  5/12 1/3
O1K    2/3  1/12 1/3
O2K    3/4   .25 1/2
O3K    3/4  1/12   0
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol88/AM88_653.pdf
American Mineralogist 88 (2003) 653-666
Model pyroxenes I: Ideal pyroxene topologies
Pyroxene #54 based on stacking sequence ABACABCBACBC
Note: Atoms Mg, Si, and O are assigned to atomic positions just for convenience.
_database_code_amcsd 0003076
19.595917 6 3.4641016 90 90. 90 Pc
atom     x     y   z
SiA   1/48  7/12 5/6
SiB   1/16 11/12 1/2
Mg1a   1/8  7/12 1/6
Mg2a   1/8   .25 1/6
SiC   3/16  1/12 2/3
SiD  11/48  5/12   0
Mg1b  7/24  1/12 1/3
Mg2b  7/24   .25 5/6
SiE  17/48  7/12 5/6
SiF  19/48 11/12 1/2
Mg1c 11/24  5/12   0
Mg2c 11/24   .25 1/2
SiG  25/48  1/12 1/3
SiH   9/16  7/12 1/6
Mg1d   5/8  1/12 2/3
Mg2d   5/8   .25 1/6
SiJ  11/16  7/12 1/6
SiK  35/48  1/12   0
Mg1e 19/24  5/12   0
Mg2e 19/24   .25 1/2
SiL  41/48  1/12 2/3
SiM  43/48  5/12 1/3
Mg1f 23/24 11/12 5/6
Mg2f 23/24   .25 5/6
O1A   1/12  7/12 5/6
O2A      0   3/4   0
O3A      0  5/12   0
O1B      0  1/12   0
O2B   1/12   .25 5/6
O3B   1/12  1/12 1/3
O1C    .25  1/12 2/3
O2C    1/6   .25 1/2
O3C    1/6  1/12   0
O1D    1/6  5/12   0
O2D    .25   .25 1/6
O3D    .25  7/12 1/6
O1E   5/12  5/12 1/3
O2E    1/3   .25 1/2
O3E    1/3  7/12 1/2
O1F    1/3  1/12   0
O2F   5/12   .25 5/6
O3F   5/12  1/12 1/3
O1G   7/12  1/12 1/3
O2G    1/2   .25 1/6
O3G    1/2  1/12 2/3
O1H    1/2  7/12 1/6
O2H   7/12   3/4 1/3
O3H   7/12  5/12 1/3
O1J    3/4  5/12 2/3
O2J    2/3   3/4   0
O3J    2/3  5/12   0
O1K    2/3  1/12   0
O2K    3/4   .25 1/6
O3K    3/4  1/12 2/3
O1L  11/12  1/12 2/3
O2L    5/6   .25 5/6
O3L    5/6  1/12 1/3
O1M    5/6  5/12 1/3
O2M  11/12   .25 1/6
O3M  11/12  7/12 1/6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 240 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003471
7.394 6 3.464 90 117.9 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si    5/16   1/12  19/48
O1     1/8   1/12   5/24
O2     3/8    .25   7/24
O3     3/8  11/12   7/24
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 220 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003472
7.565 6.510 3.759 90 115.8 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si   .3100   1/12  .3551
O1   .1301   1/12  .1974
O2   .3699    .25  .3026
O3   .3699 -.0525  .2101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 200 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003473
7.608 6.823 3.939 90 113.4 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si   .3085   1/12  .3204
O1   .1330   1/12  .1856
O2   .3670    .25  .3144
O3   .3670 -.0255  .1408
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 180 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003474
7.526 6.928 4 90 110.8 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si   .3080   1/12  .2887
O1   .1340   1/12  .1726
O2   .3660    .25  .3274
O3   .3660      0  .0774
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 160 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003475
7.326 6.823 3.939 90 107.7 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si   .3085   1/12  .2576
O1   .1330   1/12  .1585
O2   .3670    .25  .3415
O3   .3670  .0255  .0152
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 140 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003476
7.023 6.510 3.759 90 104.1 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si   .3100   1/12  .2248
O1   .1301   1/12  .1427
O2   .3699    .25  .3573
O3   .3699  .0525  .9497
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model with O3-O3-O3 angle = 120 and model oxygen radius = 1
Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
_database_code_amcsd 0003477
6.6332 6 3.464 90 100.0 90 C2/c
atom     x      y      z
Mg1      0  11/12    1/4
Mg2      0    .25    1/4
Si    5/16   1/12   3/16
O1     1/8   1/12    1/8
O2     3/8    .25    3/8
O3     3/8   1/12    7/8
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside after Cameron et al. (1973)
with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.318
_database_code_amcsd 0003478
9.756 9.067 5.235 90 108.7 90 C2/c
atom     x      y      z
Mg       0  11/12    1/4
Ca       0    .25    1/4
Si   .3082   1/12  .2676
O1   .1335   1/12  .1632
O2   .3665    .25  .3368
O3   .3665  .0172  .0352
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside at 1000C after Cameron et al. (1973)
with O3-O3-O3 angle = 168.5 and model oxygen radius = 1.330
_database_code_amcsd 0003479
9.876 9.170 5.294 90 109.0 90 C2/c
atom     x      y      z
Mg       0  11/12    1/4
Ca       0    .25    1/4
Si   .3082   1/12  .2709
O1   .1337   1/12  .1647
O2   .3663    .25  .3353
O3   .3663  .0145  .0419
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside after Levien and Prewitt (1981)
with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.319
_database_code_amcsd 0003480
9.760 9.071 5.237 90 108.7 90 C2/c
atom     x      y      z
Mg       0  11/12    1/4
Ca       0    .25    1/4
Si   .3082   1/12  .2676
O1   .1335   1/12  .1631
O2   .3664    .25  .3369
O3   .3664  .0172  .0351
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model diopside at 5.3 GPa after Levien and Prewitt (1981)
with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304
_database_code_amcsd 0003481
9.607 8.939 5.161 90 108.3 90 C2/c
atom     x      y      z
Mg       0  11/12    1/4
Ca       0    .25    1/4
Si   .3083   1/12  .2632
O1   .1333   1/12  .1611
O2   .3667    .25  .3389
O3   .3667  .0208  .0264
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995)
with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366
_database_code_amcsd 0003482
9.552 8.844 5.106 90 103.8 90 C2/c
atom     x      y      z
Fe       0  11/12    1/4
Fe       0    .25    1/4
Si   .3101   1/12  .2219
O1   .1298   1/12  .1413
O2   .3702    .25  .3587
O3   .3702  .0550  .9438
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor after Cameron et al. (1973)
with O3-O3-O3 angle = 172.0 and model oxygen radius = 1.294
_database_code_amcsd 0003483
9.653 8.944 5.164 90 109.6 90 C2/c
atom     x      y      z
Cr       0  11/12    1/4
Na       0    .25    1/4
Si   .3081   1/12  .2763
O1   .1338   1/12  .1672
O2   .3662    .25  .3328
O3   .3662  .0100  .0527
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View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor at 600C after Cameron et al. (1973)
with O3-O3-O3 angle = 172.9 and model oxygen radius = 1.299
_database_code_amcsd 0003484
9.697 8.980 5.184 90 109.7 90 C2/c
atom     x      y      z
Cr       0  11/12    1/4
Na       0    .25    1/4
Si   .3081   1/12  .2776
O1   .1339   1/12  .1677
O2   .3661    .25  .3323
O3   .3661  .0090  .0552
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor after Origlieri et al. (2003)
with O3-O3-O3 angle = 172.8 and model oxygen radius = 1.292
_database_code_amcsd 0003485
9.650 8.937 5.160 90 109.7 90 C2/c
atom     x      y      z
Cr       0  11/12    1/4
Na       0    .25    1/4
Si   .3081   1/12  .2775
O1   .1339   1/12  .1677
O2   .3661    .25  .3323
O3   .3661  .0091  .0550
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model kosmochlor at 9.28 GPa after Origlieri et al. (2003)
with O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271
_database_code_amcsd 0003486
9.401 8.738 5.045 90 108.7 90 C2/c
atom     x      y      z
Cr       0  11/12    1/4
Na       0    .25    1/4
Si   .3082   1/12  .2672
O1   .1335   1/12  .1630
O2   .3665    .25  .3370
O3   .3665  .0180  .0343
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene after Cameron et al. (1973)
with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.263
_database_code_amcsd 0003487
9.570 8.717 5.033 90 112.1 90 C2/c
atom     x      y      z
Al       0  11/12    1/4
Li       0    .25    1/4
Si   .3081   1/12  .3035
O1   .1337   1/12  .1789
O2   .3662    .25  .3211
O3   .3662 -.0120  .1070
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene at 760C after Cameron et al. (1973)
with O3-O3-O3 angle = 186.6 and model oxygen radius = 1.267
_database_code_amcsd 0003488
9.589 8.766 5.061 90 111.7 90 C2/c
atom     x      y      z
Al       0  11/12    1/4
Li       0    .25    1/4
Si   .3081   1/12  .2989
O1   .1339   1/12  .1770
O2   .3661    .25  .3230
O3   .3661 -.0083  .0979
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pyroxene-ideal
 
Thompson R M, Downs R T
Download am/vol89/AM89_614.pdf
American Mineralogist 89 (2004) 614-628
Model pyroxenes II: Structural variation as a function of tetrahedral rotation
model spodumene after Arlt and Angel (2003)
with O3-O3-O3 angle = 189.9 and model oxygen radius = 1.263
_database_code_amcsd 0003489
9.572 8.715 5.032 90 112.1 90 C2/c
atom     x      y      z
Al       0  11/12    1/4
Li       0    .25    1/4
Si   .3081   1/12  .3041
O1   .1337   1/12  .1792
O2   .3663    .25  .3208
O3   .3663 -.0124  .1082
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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