American Mineralogist Crystal Structure Database

15 matching records for this search.

Monticellite
Download hom/monticellite.pdf
Lager G A, Meagher E P
Download am/vol63/AM63_365.pdf
American Mineralogist 63 (1978) 365-377
High-temperature structural study of six olivines
T = 25 deg C, sample is from Crestmore, California, USA
Note: Si-y altered to reproduce reported bond lengths
_database_code_amcsd 0000646
4.825 11.111 6.383 90 90 90 Pbnm
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0     0     0 .93  .0024  .0006  .0022 -.0003 -.0007 -.0001
Fe       0     0     0 .07  .0024  .0006  .0022 -.0003 -.0007 -.0001
Ca   .9771 .2766   .25      .0058  .0009  .0011  .0001      0      0
Si   .4110 .0815   .25      .0024  .0007  .0018 -.0002      0      0
O1   .7460 .0768   .25      .0026  .0020  .0009 -.0005      0      0
O2   .2466 .4491   .25      .0027  .0004  .0071  .0006      0      0
O3   .2725 .1466 .0451      .0044  .0016  .0029  .0008 -.0008  .0002
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Monticellite
Download hom/monticellite.pdf
Lager G A, Meagher E P
Download am/vol63/AM63_365.pdf
American Mineralogist 63 (1978) 365-377
High-temperature structural study of six olivines
T = 335 deg C, sample is from Crestmore, California, USA
_database_code_amcsd 0000647
4.834 11.147 6.409 90 90 90 Pbnm
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0     0     0 .93  .0092  .0017  .0031 -.0005 -.0023 -.0001
Fe       0     0     0 .07  .0092  .0017  .0031 -.0005 -.0023 -.0001
Ca   .9764 .2774   .25      .0117  .0015  .0049  .0003      0      0
Si   .4091 .0817   .25      .0041  .0014  .0046  .0002      0      0
O1   .7434 .0776   .25      .0032  .0032  .0112 -.0008      0      0
O2   .2476 .4501   .25      .0117  .0014  .0075  .0010      0      0
O3   .2738 .1473 .0472      .0095  .0024  .0060  .0000  .0014  .0010
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Monticellite
Download hom/monticellite.pdf
Lager G A, Meagher E P
Download am/vol63/AM63_365.pdf
American Mineralogist 63 (1978) 365-377
High-temperature structural study of six olivines
T = 615 deg C, sample is from Crestmore, California, USA
_database_code_amcsd 0000648
4.848 11.176 6.436 90 90 90 Pbnm
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0     0     0 .93  .0157  .0033  .0067 -.0012 -.0028  .0001
Fe       0     0     0 .07  .0157  .0033  .0067 -.0012 -.0028  .0001
Ca   .9759 .2781   .25      .0175  .0024  .0088  .0007      0      0
Si   .4087 .0824   .25      .0083  .0022  .0083 -.0002      0      0
O1   .7428 .0785   .25      .0088  .0049  .0163 -.0006      0      0
O2   .2463 .4509   .25      .0149  .0023  .0112  .0011      0      0
O3   .2731 .1476 .0472      .0175  .0033  .0096  .0002 -.0001  .0011
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Monticellite
Download hom/monticellite.pdf
Lager G A, Meagher E P
Download am/vol63/AM63_365.pdf
American Mineralogist 63 (1978) 365-377
High-temperature structural study of six olivines
T = 795 deg C, sample is from Crestmore, California, USA
_database_code_amcsd 0000649
4.857 11.199 6.454 90 90 90 Pbnm
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0     0     0 .93  .0166  .0041  .0130 -.0015 -.0042 -.0003
Fe       0     0     0 .07  .0166  .0041  .0130 -.0015 -.0042 -.0003
Ca   .9753 .2789   .25      .0215  .0032  .0130  .0007      0      0
Si   .4076 .0829   .25      .0107  .0029  .0108 -.0003      0      0
O1   .7398 .0785   .25      .0137  .0061  .0218      0      0      0
O2   .2463 .4521   .25      .0147  .0030  .0162  .0001      0      0
O3   .2729 .1479 .0477      .0232  .0038  .0135  .0009 -.0005  .0016
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Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = .001 kbar
Note: O1x changed to reproduce its bond lengths
_database_code_amcsd 0001096
4.821 11.105 6.381 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.04
Ca2  .9774 .2771   .25 1.01
Si   .4111 .0823   .25  .96
O1   .7374 .0773   .25 1.17
O2   .2523 .4494   .25 1.04
O3   .2728 .1470 .0467 1.14
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Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 11.1 kbar, collected with 4-mm-diameter apertures
_database_code_amcsd 0001097
4.812 11.051 6.364 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.43
Ca2  .9770 .2764   .25 1.32
Si   .4122 .0811   .25 1.25
O1   .7462 .0775   .25 1.61
O2   .2472 .4478   .25 1.40
O3   .2714 .1479 .0455 1.34
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Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 11.1 kbar, collected with 8-mm-diameter apertures
_database_code_amcsd 0001098
4.812 11.051 6.364 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.13
Ca2  .9766 .2763   .25  .99
Si   .4099 .0812   .25  .82
O1   .7481 .0769   .25 1.22
O2   .2458 .4484   .25  .88
O3   .2741 .1465 .0444  .84
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Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 20.7 kbar
_database_code_amcsd 0001099
4.800 11.004 6.346 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0  .93
Ca2  .9748 .2766   .25 1.00
Si   .4116 .0801   .25  .86
O1   .7412 .0773   .25 1.22
O2   .2464 .4477   .25 1.15
O3   .2722 .1482 .0447 1.14
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View JMOL 3-D Structure
 
Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 29.1 kbar
Note: Cannot reproduce many of the published bond lengths
_database_code_amcsd 0001100
4.793 10.971 6.335 90 90 90 Pbnm
atom     x     y     z Biso
Mg1      0     0     0 1.03
Ca2  .9751 .2765   .25  .98
Si   .4117 .0811   .25  .81
O1   .7389 .0766   .25 1.57
O2   .2514 .4483   .25  .87
O3   .2731 .1471 .0453 1.20
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View JMOL 3-D Structure
 
Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample; P = 41.2 kbar
_database_code_amcsd 0001101
4.779 10.922 6.317 90 90 90 Pbnm
atom     x     y     z Biso
Mg       0     0     0  .95
Ca   .9746 .2761   .25 1.02
Si   .4102 .0807   .25  .93
O1   .7434 .0776   .25 1.32
O2   .2490 .4471   .25  .77
O3   .2737 .1476 .0474 1.02
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 53.0 kbar
_database_code_amcsd 0001102
4.770 10.882 6.305 90 90 90 Pbnm
atom     x     y     z Biso
Mg       0     0     0 1.06
Ca   .9744 .2754   .25 1.02
Si   .4117 .0807   .25  .88
O1   .7473 .0770   .25 1.32
O2   .2474 .4456   .25 1.17
O3   .2723 .1472 .0449  .92
Download AMC data (View Text File)
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View JMOL 3-D Structure
 
Monticellite
Download hom/monticellite.pdf
Sharp Z D, Hazen R M, Finger L W
Download am/vol72/AM72_748.pdf
American Mineralogist 72 (1987) 748-755
High-pressure crystal chemistry of monticellite, CaMgSiO4
Sample: P = 61.7 kbar
_database_code_amcsd 0001103
4.763 10.849 6.294 90 90 90 Pbnm
atom     x     y     z  Biso
Mg       0     0     0   .86
Ca   .9733 .2757   .25   .94
Si   .4134 .0807   .25   .77
O1   .7477 .0760   .25  1.42
O2   .2476 .4461   .25  1.11
O3   .2715 .1476 .0450 1.057
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Monticellite
Download hom/monticellite.pdf
Pilati T, Demartin F, Gramaccioli C M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=51&spage=721
Acta Crystallographica B51 (1995) 721-733
Thermal parameters for minerals of the olivine group:
their implication on vibrational spectra,
thermodynamic functions and transferable force fields
Locality: Crestmore, California, USA
_database_code_amcsd 0019700
11.1098 6.3894 4.8281 90 90 90 Pnma
atom      x     y       z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1       0     0       0 .88  .0072  .0061  .0056 -.0006 -.0008 -.0016
Fe1       0     0       0 .12  .0072  .0061  .0056 -.0006 -.0008 -.0016
Ca2  .27684   .25 -.02255      .0059  .0063  .0071      0  .0003      0
Si   .08156   .25  .41098      .0062  .0056  .0043      0  .0002      0
O1   .07767   .25  -.2543      .0099  .0101  .0047      0 -.0003      0
O2   .44901   .25   .2460      .0059  .0092  .0069      0 -.0001      0
O3   .14753 .0457   .2733      .0081  .0068  .0075  .0013  .0004  .0002
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Monticellite
Download hom/monticellite.pdf
Brown G, West J
 
Zeitschrift fur Kristallographie 66 (1927) 154-161
The structure of monticellite (Mg Ca Si O4).
_cod_database_code 1011202
_database_code_amcsd 0018072
4.815 11.08 6.37 90 90 90 Pbnm
atom     x    y   z
Mg1      0    0   0
Ca1  -.017 .257 .25
Si1   .403 .086 .25
O1   -.236 .067 .25
O2    .264 .464 .25
O3     .25 .153 .03
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Monticellite
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Kimata M, Nishida N
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 160-170
The crystal structure of Co-monticellite Ca1.255Co0.745SiO4 and
its significance as a solid solution crystal
Note: sample is synthetic
_database_code_amcsd 0014814
4.866 11.150 6.453 90 90 90 Pbnm
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca1       0      0      0 .255 .00708 .00143 .00403 -.00016 .00130 -.00034
Co1       0      0      0 .745 .00708 .00143 .00403 -.00016 .00130 -.00034
Ca2  .97936 .27692    .25      .00909 .00120 .00421  .00020      0       0
Si   .41477 .08390    .25      .00662 .00142 .00475  .00019      0       0
O1   .74771 .08083    .25      .00701 .00210 .00822  .00007      0       0
O2   .23605 .45087    .25      .00959 .00153 .00785 -.00074      0       0
O3   .28073 .15063 .04801      .01151 .00182 .00456  .00051 .00115  .00065
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Total number of retrieved datasets: 15
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