Aragonite
de Villiers J P R
American Mineralogist 56 (1971) 758-767
Crystal structures of aragonite, strontianite, and witherite
_database_code_amcsd 0000233
4.9614 7.9671 5.7404 90 90 90 Pmcn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .25 .4150 .7597 .0062 .0021 .0063 0 0 .0001
C .25 .7622 -.0862 .0065 .0027 .0025 0 0 -.0006
O1 .25 .9225 -.0962 .0122 .0028 .0086 0 0 -.0011
O2 .4736 .6810 -.0862 .0053 .0042 .0069 .0008 -.0001 -.003
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Aragonite
Dal Negro A, Ungaretti L
American Mineralogist 56 (1971) 768-772
Refinement of the crystal structure of aragonite
Locality: Vertaizon-Alvernia, France
_database_code_amcsd 0000236
4.9616 7.9705 5.7394 90 90 90 Pmcn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .25 .4151 .2403 .006640 .002837 .004770 0 0 -.000153
C .25 .7627 .0850 .008507 .003545 .005068 0 0 .000594
O1 .25 .9231 .0952 .014831 .003861 .009870 0 0 .001077
O2 .4729 .6801 .0870 .008513 .005523 .010188 .001234 .000688 -.000260
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 184 K
Locality: natural, unknown locality
_database_code_amcsd 0018848
4.9541 7.9494 5.7186 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4151 .7599 .997 .013 .019 .014 .007 0 0 -.0003
Sr .25 .4151 .7599 .003 .013 .019 .014 .007 0 0 -.0003
C .25 .763 -.089 .015 .020 .025 .000 0 0 -.001
O1 .25 .9244 -.0961 .015 .027 .007 .011 0 0 -.001
O2 .4752 .6804 -.0875 .014 .018 .013 .010 .005 .002 .000
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 224 K
Locality: natural, unknown locality
_database_code_amcsd 0018849
4.9564 7.9536 5.7253 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4151 .7600 .997 .014 .018 .016 .009 0 0 .0004
Sr .25 .4151 .7600 .003 .014 .018 .016 .009 0 0 .0004
C .25 .7636 -.087 .016 .024 .024 .000 0 0 -.005
O1 .25 .9244 -.0953 .015 .025 .008 .010 0 0 -.004
O2 .4748 .6802 -.0870 .015 .019 .014 .013 .007 .001 .001
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 265 K
Locality: natural, unknown locality
_database_code_amcsd 0018850
4.9579 7.9595 5.7328 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4148 .7596 .997 .010 .017 .005 .008 0 0 -.0010
Sr .25 .4148 .7596 .003 .010 .017 .005 .008 0 0 -.0010
C .25 .762 -.086 .010 .000 .031 .000 0 0 .003
O1 .25 .9241 -.0957 .014 .032 .000 .011 0 0 .005
O2 .4744 .6807 -.0872 .008 .007 .006 .012 -.001 -.001 -.002
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K, low-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018851
4.9596 7.9644 5.7416 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4150 .7596 .997 .015 .022 .016 .009 0 0 -.0004
Sr .25 .4150 .7596 .003 .015 .022 .016 .009 0 0 -.0004
C .25 .762 -.088 .017 .017 .033 .000 0 0 -.004
O1 .25 .9235 -.0951 .018 .032 .008 .015 0 0 .001
O2 .4750 .6804 -.0870 .016 .014 .019 .014 .004 .002 -.001
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K, high-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018852
4.9615 7.9629 5.7428 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4151 .7600 .997 .017 .018 .016 .017 0 0 -.0016
Sr .25 .4151 .7600 .003 .017 .018 .016 .017 0 0 -.0016
C .25 .764 -.085 .017 .017 .034 .000 0 0 .004
O1 .25 .9246 -.096 .019 .029 .005 .024 0 0 .000
O2 .4753 .6807 -.0861 .017 .008 .017 .026 .006 .002 .003
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 359 K
Locality: natural, unknown locality
_database_code_amcsd 0018853
4.9638 7.9698 5.7545 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .41493 .7600 .997 .0188 .020 .013 .024 0 0 .0002
Sr .25 .41493 .7600 .003 .0188 .020 .013 .024 0 0 .0002
C .25 .7613 -.0842 .016 .030 .017 .000 0 0 .001
O1 .25 .9226 -.0948 .021 .029 .004 .029 0 0 -.001
O2 .4747 .6801 -.0857 .021 .013 .016 .033 .008 .001 .0031
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 415 K
Locality: natural, unknown locality
_database_code_amcsd 0018854
4.9667 7.9775 5.7680 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .41483 .7599 .997 .024 .026 .017 .030 0 0 .0007
Sr .25 .41483 .7599 .003 .024 .026 .017 .030 0 0 .0007
C .25 .7632 -.081 .019 .042 .013 .000 0 0 -.004
O1 .25 .9220 -.0948 .029 .031 .009 .046 0 0 -.002
O2 .4739 .6800 -.0852 .026 .025 .017 .035 .010 .001 .004
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 471 K
Locality: natural, unknown locality
_database_code_amcsd 0018855
4.9692 7.9873 5.7796 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .41496 .7597 .997 .025 .026 .020 .028 0 0 -.0004
Sr .25 .41496 .7597 .003 .025 .026 .020 .028 0 0 -.0004
C .25 .7611 -.0821 .020 .044 .016 .001 0 0 -.001
O1 .25 .9217 -.0937 .029 .038 .010 .040 0 0 .000
O2 .4737 .6800 -.0847 .028 .026 .024 .035 .013 .002 .0025
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 527 K
Locality: natural, unknown locality
_database_code_amcsd 0018856
4.9723 7.9983 5.7931 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .41482 .7594 .997 .029 .029 .023 .036 0 0 -.0004
Sr .25 .41482 .7594 .003 .029 .029 .023 .036 0 0 -.0004
C .25 .7588 -.0819 .023 .026 .031 .013 0 0 -.007
O1 .25 .9207 -.0921 .035 .042 .019 .044 0 0 -.001
O2 .4738 .6809 -.0838 .034 .018 .037 .048 .009 .001 .002
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Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: natural, unknown locality
_database_code_amcsd 0018860
4.9596 7.9644 5.7416 90 90 90 Pmcn
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .41498 .75936 .997 .0121 .0131 .0110 .0122 0 0 .00020
Sr .25 .41498 .75936 .003 .0121 .0131 .0110 .0122 0 0 .00020
C .25 .7622 -.0851 .0121 .0152 .0154 .0058 0 0 .0007
O1 .25 .92200 -.0956 .0170 .0211 .0128 .0172 0 0 -.0005
O2 .4737 .68067 -.0872 .0159 .0135 .0179 .0162 .0026 .0003 .0013
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 47 (2009) 1245-1255
The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
Linear structural trends
Locality: Italy
Note: SXTL
_database_code_amcsd 0006300
4.96062 7.97006 5.74181 90 90 90 Pmcn
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca .25 .4150 .7596 .008 .009 .007 .009 0 0 .000
C .25 .7619 -.0849 .008 .009 .009 .005 0 0 .000
O1 .25 .9224 -.0956 .013 .016 .007 .014 0 0 .000
O2 .4738 .6804 -.0871 .012 .009 .012 .014 .003 .000 .001
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 47 (2009) 1245-1255
The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
Linear structural trends
Locality: Italy
Note: HRPXRD
_database_code_amcsd 0006301
4.96062 7.97006 5.74181 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .41502 .7577 .0066
C .25 .7616 -.0808 .0115
O1 .25 .9220 -.0944 .0115
O2 .4750 .6824 -.0905 .0115
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 47 (2009) 1245-1255
The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3:
Linear structural trends
Locality: Spain
Note: HRPXRD
_database_code_amcsd 0006302
4.96174 7.96918 5.74265 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .41508 .75953 .00735
C .25 .7612 -.0842 .0107
O1 .25 .9228 -.0947 .0107
O2 .4743 .68059 -.0871 .0107
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 50 C
Note: P = 101 kPa
_database_code_amcsd 0017827
4.9566 7.9808 5.7464 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4142 .7538 .008
C .25 .7663 -.0684 .025
O1 .25 .9188 -.0900 .025
O2 .4734 .6835 -.0987 .025
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 70 C
Note: P = 101 kPa
_database_code_amcsd 0017828
4.9576 7.9835 5.7503 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4141 .7538 .008
C .25 .7662 -.0681 .026
O1 .25 .9187 -.0896 .026
O2 .4733 .6837 -.0983 .026
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 92 C
Note: P = 101 kPa
_database_code_amcsd 0017829
4.9586 7.9867 5.7547 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4141 .7538 .009
C .25 .7658 -.0679 .026
O1 .25 .9183 -.0889 .026
O2 .4735 .6840 -.0983 .026
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 113 C
Note: P = 101 kPa
_database_code_amcsd 0017830
4.9594 7.9893 5.7584 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4141 .7537 .009
C .25 .7662 -.0677 .028
O1 .25 .9188 -.0891 .028
O2 .4733 .6838 -.0984 .028
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 135 C
Note: P = 101 kPa
_database_code_amcsd 0017831
4.9605 7.9925 5.7629 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4139 .7538 .010
C .25 .7659 -.0670 .028
O1 .25 .9184 -.0887 .028
O2 .4730 .6841 -.0982 .028
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 154 C
Note: P = 101 kPa
_database_code_amcsd 0017832
4.9614 7.9954 5.7668 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4139 .7539 .011
C .25 .7655 -.0671 .030
O1 .25 .9184 -.0879 .030
O2 .4731 .6844 -.0981 .030
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 175 C
Note: P = 101 kPa
_database_code_amcsd 0017833
4.9624 7.9989 5.7714 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4139 .7538 .012
C .25 .7645 -.0668 .031
O1 .25 .9179 -.0884 .031
O2 .4738 .6843 -.0981 .031
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 197 C
Note: P = 101 kPa
_database_code_amcsd 0017834
4.9635 8.0024 5.7760 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4137 .7538 .013
C .25 .7647 -.0660 .033
O1 .25 .9184 -.0876 .033
O2 .4734 .6844 -.0982 .033
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 218 C
Note: P = 101 kPa
_database_code_amcsd 0017835
4.9644 8.0057 5.7805 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4136 .7539 .013
C .25 .7643 -.0660 .034
O1 .25 .9184 -.0875 .034
O2 .4732 .6845 -.0982 .034
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 235 C
Note: P = 101 kPa
_database_code_amcsd 0017836
4.9653 8.0088 5.7847 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4135 .7542 .013
C .25 .7642 -.0653 .034
O1 .25 .9189 -.0870 .034
O2 .4731 .6848 -.0983 .034
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 258 C
Note: P = 101 kPa
_database_code_amcsd 0017837
4.9664 8.0126 5.7898 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4134 .7545 .014
C .25 .7636 -.0649 .035
O1 .25 .9190 -.0863 .035
O2 .4726 .6853 -.0983 .035
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 275 C
Note: P = 101 kPa
_database_code_amcsd 0017838
4.9672 8.0157 5.7938 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4134 .7547 .015
C .25 .7631 -.0641 .036
O1 .25 .9193 -.0865 .036
O2 .4726 .6853 -.0981 .036
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 297 C
Note: P = 101 kPa
_database_code_amcsd 0017839
4.9683 8.0196 5.7989 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4133 .7550 .016
C .25 .7633 -.0634 .036
O1 .25 .9198 -.0860 .036
O2 .4721 .6856 -.0981 .036
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 318 C
Note: P = 101 kPa
_database_code_amcsd 0017840
4.9693 8.0234 5.8037 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7552 .017
C .25 .7628 -.0633 .036
O1 .25 .9198 -.0852 .036
O2 .4719 .6860 -.0978 .036
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 337 C
Note: P = 101 kPa
_database_code_amcsd 0017841
4.9703 8.0272 5.8087 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7555 .018
C .25 .7622 -.0634 .038
O1 .25 .9194 -.0846 .038
O2 .4718 .6860 -.0975 .038
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Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 359 C
Note: P = 101 kPa
_database_code_amcsd 0017842
4.9713 8.0311 5.8141 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7559 .018
C .25 .7618 -.0615 .037
O1 .25 .9197 -.0847 .037
O2 .4715 .6863 -.0976 .037
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 379 C
Note: P = 101 kPa
_database_code_amcsd 0017843
4.9721 8.0344 5.8183 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7560 .019
C .25 .7615 -.0620 .038
O1 .25 .9196 -.0842 .038
O2 .4716 .6865 -.0976 .038
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 398 C
Note: P = 101 kPa
_database_code_amcsd 0017844
4.9731 8.0384 5.8236 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7561 .019
C .25 .7614 -.0619 .038
O1 .25 .9196 -.0838 .038
O2 .4713 .6866 -.0974 .038
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 420 C
Note: P = 101 kPa
_database_code_amcsd 0017845
4.9744 8.0432 5.8300 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4132 .7563 .020
C .25 .7615 -.0617 .039
O1 .25 .9194 -.0837 .039
O2 .4709 .6865 -.0968 .039
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 434 C
Note: P = 101 kPa
_database_code_amcsd 0017846
4.9750 8.0446 5.8329 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4133 .7564 .020
C .25 .7613 -.0622 .039
O1 .25 .9195 -.0839 .039
O2 .4707 .6865 -.0968 .039
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 458 C
Note: P = 101 kPa
_database_code_amcsd 0017847
4.9767 8.0486 5.8396 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4131 .7564 .021
C .25 .7605 -.0625 .039
O1 .25 .9186 -.0845 .039
O2 .4701 .6865 -.0963 .039
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Aragonite
Antao S M, Hassan I
The Canadian Mineralogist 48 (2010) 1225-1236
Temperature dependence of the structural parameters
in the transformation of aragonite to calcite,
as determined from in situ synchrotron powder X-ray-diffraction data
Locality: Cuenca, Spain
Note: T = 477 C
Note: P = 101 kPa
_database_code_amcsd 0017848
4.9778 8.0528 5.8462 90 90 90 Pmcn
atom x y z Uiso
Ca .25 .4120 .7553 .022
C .25 .7535 -.0593 .036
O1 .25 .9128 -.0860 .036
O2 .4699 .6879 -.0976 .036
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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