American Mineralogist Crystal Structure Database

11 matching records for this search.

Omphacite
Download hom/omphacite.pdf
Clark J R, Papike J J
Download am/vol53/AM53_840.pdf
American Mineralogist 53 (1968) 840-868
Crystal-chemical characterization of omphacites
_database_code_amcsd 0000175
9.596 8.771 5.265 90 106.93 90 P2
atom      x     y     z occ Biso
Si1A  .2890 .0972 .9774      .17
Si2A  .2881 .9135 .4820      .17
Si1C  .2137 .5880 .0196      .17
Si2C  .2103 .4027 .5232      .17
Mg1       0 .9122     0 .81   .2
Fe1       0 .9122     0 .19   .2
Al11      0 .1002    .5 .95   .3
Fe11      0 .1002    .5 .05   .3
Al1H     .5 .4045     0 .82   .3
Fe1H     .5 .4045     0 .18   .3
Mg11H    .5 .5957    .5 .80   .2
Fe11H    .5 .5957    .5 .20   .2
Na2       0 .3036     0 .64   .8
Ca2       0 .3036     0 .36   .8
Na21      0 .7017    .5 .36   .7
Ca21      0 .7017    .5 .64   .7
Na2H     .5 .8009     0 .03   .8
Ca2H     .5 .8009     0 .97   .8
Na21H    .5 .1996    .5 .64   .8
Ca21H    .5 .1996    .5 .36   .8
O11A   .112  .088  .864       .4
O12A   .110  .922  .405       .4
O11C   .386  .567  .103       .4
O12C   .385  .411  .620       .4
O21A   .364  .263  .066       .4
O22A   .347  .747  .551       .4
O21C   .133  .749  .939       .4
O22C   .135  .244  .446       .4
O31A   .360  .022  .757       .4
O32A   .350  .994  .252       .4
O31C   .154  .515  .255       .4
O32C   .147  .489  .750       .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)
 
Omphacite
Download hom/omphacite.pdf
Matsumoto T, Tokonami M, Morimoto N
Download am/vol60/AM60_634.pdf
American Mineralogist 60 (1975) 634-641
The crystal structure of omphacite
_database_code_amcsd 0000466
9.585 8.776 5.260 90 106.8 90 P2/n
atom     x     y     z  occ Biso
Si1  .5393 .3465 .2273       .37
Si2  .5376 .1621 .7310       .36
Al1    .25 .3480   .75 .868  .32
Fe1    .25 .3480   .75 .132  .32
Mg2    .25 .1580   .25 .815  .43
Fe2    .25 .1580   .25 .185  .43
Ca3    .25 .5521   .25 .314  .86
Na3    .25 .5521   .25 .686  .86
Ca4    .25 .9502   .75 .716  .82
Na4    .25 .9502   .75 .284  .82
O1   .3634 .3382 .1232       .73
O2   .3621 .1767 .6475       .74
O3   .6138 .5090 .3091       .76
O4   .6063 .9974 .8054       .80
O5   .6057 .2663 .0037       .65
O6   .5981 .2398 .4984       .70
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
McCormick T C
Download am/vol71/AM71_1434.pdf
American Mineralogist 71 (1986) 1434-1440
Crystal-chemical aspects of nonstoichiometric pyroxenes
Sample: Full-occupancy model
_database_code_amcsd 0001054
9.501 8.654 5.238 90 107.23 90 C2/c
atom     x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0 .9054   .25 .069  .0012  .0016  .0039      0  .0005      0
Al1      0 .9054   .25 .931  .0012  .0016  .0039      0  .0005      0
Ca2      0 .3009   .25 .229  .0031  .0020  .0056      0 -.0003      0
Na2      0 .3009   .25 .770  .0031  .0020  .0056      0 -.0003      0
Si   .2895  .093 .2283       .0009  .0014  .0030 -.0001  .0007 -.0002
O1   .1104 .0779 .1309       .0011  .0029  .0078  .0002  .0009 -.0005
O2   .3608 .2601 .3005       .0028  .0018  .0080 -.0004  .0012 -.0006
O3   .3529 .0108 .0034       .0015  .0028  .0048  .0001  .0010 -.0011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
McCormick T C
Download am/vol71/AM71_1434.pdf
American Mineralogist 71 (1986) 1434-1440
Crystal-chemical aspects of nonstoichiometric pyroxenes
Sample: Vacancy model I
_database_code_amcsd 0001055
9.501 8.654 5.238 90 107.23 90 C2/c
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1       0 .90540    .25 .082 .00120 .00161  .0039       0  .00053       0
Al1       0 .90540    .25 .758 .00120 .00161  .0039       0  .00053       0
Mg1       0 .90540    .25 .136 .00120 .00161  .0039       0  .00053       0
Ca2       0 .30090    .25 .286 .00313 .00204  .0056       0 -.00031       0
Mg2       0 .30090    .25 .069 .00313 .00204  .0056       0 -.00031       0
Na2       0 .30090    .25 .602 .00313 .00204  .0056       0 -.00031       0
Si   .28947 .09297 .22831      .00094 .00137  .0030 -.00006  .00065 -.00017
O1   .11043  .0779  .1309      .00106  .0029  .0078  .00016   .0009  -.0005
O2    .3608  .2601  .3005      .00279 .00183  .0080 -.00045   .0012  -.0006
O3   .35291  .0108  .0034      .00146  .0028  .0048  .00012   .0010  -.0011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
McCormick T C
Download am/vol71/AM71_1434.pdf
American Mineralogist 71 (1986) 1434-1440
Crystal-chemical aspects of nonstoichiometric pyroxenes
Sample: Vacancy model II
_database_code_amcsd 0001056
9.501 8.654 5.238 90 107.23 90 C2/c
atom      x      y      z  occ  B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Fe1       0 .90540    .25 .063  .00120 .00161 .0039       0  .00053       0
Al1       0 .90540    .25 .758  .00120 .00161 .0039       0  .00053       0
Mg1       0 .90540    .25 .179  .00120 .00161 .0039       0  .00053       0
Fe2       0 .30090    .25 .019  .00313 .00204 .0056       0 -.00031       0
Ca2       0 .30090    .25 .286  .00313 .00204 .0056       0 -.00031       0
Mg2       0 .30090    .25 .026  .00313 .00204 .0056       0 -.00031       0
Na2       0 .30090    .25 .602   .0031 .00204 .0056       0 -.00031       0
Si   .28947 .09297 .22831       .00094 .00137 .0030 -.00006  .00065 -.00017
O1   .11043  .0779  .1309       .00106  .0029 .0078  .00016   .0009  -.0005
O2    .3608  .2601  .3005       .00279 .00183 .0080 -.00045   .0012  -.0006
O3   .35291  .0108  .0034       .00146  .0028 .0048  .00012   .0010  -.0011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_62.pdf
The Canadian Mineralogist 13 (1975) 62-67
Two crystal structure refinements of a P2/n titanian ferro-omphacite
Sample: Tronto
_database_code_amcsd 0005103
9.622 8.826 5.279 90 106.92 90 P2/n
atom      x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeM1    .75 .6570   .25 .779  .0021  .0022  .0039      0  .0009      0
AlM1    .75 .6570   .25 .221  .0021  .0022  .0039      0  .0009      0
FeM11   .75 .8499   .75 .171  .0016  .0013  .0037      0  .0016      0
AlM11   .75 .8499   .75 .829  .0016  .0013  .0037      0  .0016      0
CaM2    .75 .0524   .25 .285  .0056  .0036  .0119      0  .0015      0
NaM2    .75 .0524   .25 .715  .0056  .0036  .0119      0  .0015      0
CaM21   .75 .4530   .75 .699  .0052  .0029  .0082      0  .0003      0
NaM21   .75 .4530   .75 .301  .0052  .0029  .0082      0  .0003      0
Si1   .0402 .8472 .2298       .0023  .0016  .0052  .0001  .0020 -.0002
Si2   .0381 .6651 .7354       .0019  .0019  .0045  .0000  .0015  .0000
O11   .8655 .8410 .1223       .0019  .0031  .0098  .0001  .0025 -.0003
O12   .8622 .6804 .6561       .0027  .0028  .0102  .0004  .0025 -.0006
O21   .1154 .0091 .3095       .0036  .0027  .0074 -.0007  .0018  .0000
O22   .1039 .5007 .8052       .0043  .0031  .0113  .0016  .0034  .0018
O31   .1077 .7660 .0082       .0038  .0032  .0060  .0001  .0021 -.0013
O32   .0969 .7430 .5019       .0024  .0034  .0082  .0002  .0021  .0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Curtis L, Gittins J, Kocman V, Rucklidge J C, Hawthorne F C, Ferguson R B
Download cm/vol13/CM13_62.pdf
The Canadian Mineralogist 13 (1975) 62-67
Two crystal structure refinements of a P2/n titanian ferro-omphacite
Sample: Winnipeg
_database_code_amcsd 0005104
9.622 8.826 5.279 90 106.92 90 P2/n
atom      x     y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeM1    .75 .6560   .25 .786  .0017  .0021  .0053      0  .0005      0
AlM1    .75 .6560   .25 .214  .0017  .0021  .0053      0  .0005      0
FeM11   .75 .8499   .75 .251  .0013  .0016  .0038      0  .0008      0
AlM11   .75 .8499   .75 .749  .0013  .0016  .0038      0  .0008      0
CaM2    .75 .0520   .25 .260  .0052  .0035  .0106      0  .0005      0
NaM2    .75 .0520   .25 .740  .0052  .0035  .0106      0  .0005      0
CaM21   .75 .4526   .75 .672  .0045  .0033  .0095      0 -.0003      0
NaM21   .75 .4526   .75 .328  .0045  .0033  .0095      0 -.0003      0
Si1   .0402 .8464 .2305       .0015  .0020  .0046  .0000  .0011  .0001
Si2   .0382 .6647 .7353       .0017  .0018  .0035  .0001  .0010  .0001
O11   .8646 .8400 .1227       .0017  .0030  .0053 -.0001  .0012 -.0001
O12   .8632 .6798 .6559       .0012  .0030  .0061 -.0003  .0012 -.0003
O21   .1156 .0088 .3088       .0022  .0019  .0077 -.0003  .0007 -.0004
O22   .1041 .5002 .8058       .0033  .0022  .0089  .0008  .0019  .0007
O31   .1072 .7661 .0102       .0018  .0027  .0067  .0003  .0010 -.0012
O32   .0972 .7428 .5024       .0020  .0027  .0033 -.0001  .0017  .0008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Pavese A, Bocchio R, Ivaldi G
Download mm/vol64/MM64_983.pdf
Mineralogical Magazine 64 (2000) 983-993
In situ high temperature single crystal X-ray diffraction study of a natural omphacite
Locality: Gorduno, Lepontine Alps, Switzerland
Note: structure at room temperature (T=298K)
_database_code_amcsd 0014547
9.569 8.759 5.256 90 106.96 90 P2/n
atom       x      y      z  occ  Uiso
CaM2     .75  .0523    .25 .291 .0094
NaM2     .75  .0523    .25 .709 .0094
CaM21    .75  .4505    .75 .709 .0105
NaM21    .75  .4505    .75 .291 .0105
MgM1     .75 .65926    .25  .46 .0069
AlM1     .75 .65926    .25  .48 .0069
FeM1     .75 .65926    .25  .06 .0069
MgM11    .75 .84740    .75  .46 .0033
AlM11    .75 .84740    .75  .48 .0033
FeM11    .75 .84740    .75  .06 .0033
SiT1  .03948 .84770 .22674 .985 .0044
AlT1  .03948 .84770 .22674 .015 .0044
SiT2  .03722 .66247 .73047 .985 .0043
AlT2  .03722 .66247 .73047 .015 .0043
O11    .8630  .8393  .1201      .0067
O12    .8610  .6780  .6482      .0067
O21    .1149  .0102  .3093      .0079
O22    .1061  .4975  .8050      .0090
O31    .1066  .7665  .0039      .0067
O32    .0980  .7403  .4977      .0071
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Pavese A, Bocchio R, Ivaldi G
Download mm/vol64/MM64_983.pdf
Mineralogical Magazine 64 (2000) 983-993
In situ high temperature single crystal X-ray diffraction study of a natural omphacite
Locality: Gorduno, Lepontine Alps, Switzerland
Note: structure at high temperature (T=1073K)
_database_code_amcsd 0014548
9.627 8.846 5.282 90 107.06 90 P2/n
atom       x      y     z  occ  Uiso
CaM2     .75  .0519   .25 .303 .0310
NaM2     .75  .0519   .25 .697 .0310
CaM21    .75  .4511   .75 .697 .0340
NaM21    .75  .4511   .75 .303 .0340
MgM1     .75  .6578   .25  .46 .0200
AlM1     .75  .6578   .25  .48 .0200
FeM1     .75  .6578   .25  .06 .0200
MgM11    .75  .8493   .75  .46 .0138
AlM11    .75  .8493   .75  .48 .0138
FeM11    .75  .8493   .75  .06 .0138
SiT1  .03918 .84722 .2258 .985 .0128
AlT1  .03918 .84722 .2258 .015 .0128
SiT2  .03689 .66333 .7295 .985 .0130
AlT2  .03689 .66333 .7295 .015 .0130
O11    .8635  .8384 .1196      .0182
O12    .8615  .6789 .6476      .0184
O21    .1145  .0082 .3058      .0231
O22    .1057  .5002 .8011      .0264
O31    .1053  .7649 .0046      .0203
O32    .0965  .7428 .4988      .0206
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Pavese A, Bocchio R, Ivaldi G
Download mm/vol64/MM64_983.pdf
Mineralogical Magazine 64 (2000) 983-993
In situ high temperature single crystal X-ray diffraction study of a natural omphacite
Locality: Gorduno, Lepontine Alps, Switzerland
Note: structure at room temperature (T=298K), after being heated to 1073K
_database_code_amcsd 0014549
9.563 8.776 5.254 90 106.90 90 P2/n
atom       x      y     z  occ  Uiso
CaM2     .75  .0522   .25 .310 .0103
NaM2     .75  .0522   .25 .690 .0103
CaM21    .75  .4501   .75 .690 .0114
NaM21    .75  .4501   .75 .310 .0114
MgM1     .75 .65870   .25  .46 .0069
AlM1     .75 .65870   .25  .48 .0069
FeM1     .75 .65870   .25  .06 .0069
MgM11    .75 .84716   .75  .46 .0039
AlM11    .75 .84716   .75  .48 .0039
FeM11    .75 .84716   .75  .06 .0039
SiT1  .03924 .84712 .2269 .985 .0048
AlT1  .03924 .84712 .2269 .015 .0048
SiT2  .03737 .66177 .7302 .985 .0047
AlT2  .03737 .66177 .7302 .015 .0047
O11    .8628  .8379 .1215      .0079
O12    .8610  .6770 .6465      .0079
O21    .1142  .0097 .3086      .0086
O22    .1064  .4970 .8049      .0095
O31    .1060  .7660 .0039      .0073
O32    .0984  .7399 .4976      .0074
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Omphacite
Download hom/omphacite.pdf
Mottana A, Rossi G, Kracher A, Kurat G
 
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 187-201
Violan revisited: Mn-bearing omphacite and diopside
Locality: manganese deposit of Praborna, St Marcel, Aosta Valley, Italy
_database_code_amcsd 0015676
9.578 8.772 5.253 90 106.89 90 P2/n
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Na2    .25 .5527   .25 .716  .85 .00356 .00235 .00520       0  .00051       0
Ca2    .25 .5527   .25 .284  .85 .00356 .00235 .00520       0  .00051       0
Ca22   .25 .9497   .75 .668  .73 .00324 .00143 .00438       0 -.00064       0
Na22   .25 .9497   .75 .332  .73 .00324 .00143 .00438       0 -.00064       0
Mg1    .25 .1583   .25 .936  .43 .00115 .00188 .00339       0  .00071       0
Fe1    .25 .1583   .25 .064  .43 .00115 .00188 .00339       0  .00071       0
Al11   .25 .3476   .75 .905  .44 .00157 .00154 .00316       0  .00063       0
Fe11   .25 .3476   .75 .095  .44 .00157 .00154 .00316       0  .00063       0
Si1  .5389 .3465 .2268       .39 .00139 .00142 .00305 -.00022  .00092 -.00010
Si2  .5372 .1615 .7301       .44 .00147 .00180 .00275  .00002  .00071  .00006
O11  .3635 .3372 .1234       .65 .00128 .00297 .00615 -.00022  .00105 -.00030
O12  .3612 .1756 .6461       .61 .00139 .00248 .00611  .00007  .00109  .00039
O21  .6134 .5085 .3084       .77 .00281 .00221  .0066 -.00067  .00101 -.00038
O22  .6064 .9976 .8051       .78 .00320 .00201  .0065  .00034  .00134  .00045
O31  .6052 .2655 .0032       .62 .00177 .00284 .00446 -.00047  .00127 -.00014
O32  .5989 .2393 .4974       .62 .00185 .00279 .00404 -.00065  .00097  .00132
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 11
View in amc, download in amc

Return to AMCSD Home Page