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Rengeite |
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Miyawaki R, Matsubara S, Miyajima H |
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Journal of Mineralogical and Petrological Sciences 97 (2002) 7-12 |
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The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 |
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Locality: Itoigawa, Niigata Prefecture, Japan |
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Sample: C2/m refinement |
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_database_code_amcsd 0013129 |
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13.9830 5.6722 11.9960 90 114.215 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr1 .76861 0 .73673 .946 .00919 .0078 .0101 .0099 0 .0383 0 |
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Ce1 .76861 0 .73673 .054 .00919 .0078 .0101 .0099 0 .0383 0 |
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Sr2 .54661 .5 .74203 .977 .00967 .0077 .0120 .0095 0 .0366 0 |
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Ce2 .54661 .5 .74203 .023 .00967 .0077 .0120 .0095 0 .0366 0 |
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Zr3 0 .5 .5 .00604 .0058 .0055 .0073 0 .0030 0 |
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Ti4 .5 .7420 0 .95 .0080 .0095 .0078 .0060 0 .0024 0 |
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Al4 .5 .7420 0 .05 .0080 .0095 .0078 .0060 0 .0024 0 |
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Ti5 .27341 0 .00144 .89 .0079 .0084 .0068 .0087 0 .0036 0 |
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Fe5 .27341 0 .00144 .11 .0079 .0084 .0068 .0087 0 .0036 0 |
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Si1 .40778 0 .73618 .0071 .0061 .0072 .0086 0 .0036 0 |
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Si2 .83743 0 .45121 .0069 .0056 .0053 .0091 0 .0023 0 |
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O1 .0655 .2635 .1793 .0089 .0119 .0068 .0063 -.0011 .0019 .0004 |
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O2 .2095 .2499 .8827 .0085 .0104 .0080 .0061 -.0015 .0025 -.0017 |
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O3 .3886 .7344 .4143 .0109 .0112 .0089 .0120 -.0045 .0042 0 |
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O4 .0923 0 .9974 .0093 .0104 .0060 .0119 0 .0050 0 |
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O5 .4059 0 .0024 .0078 .0080 .0068 .0102 0 .0053 0 |
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O6 .4770 0 .6576 .0122 .0106 .0170 .0119 0 .0076 0 |
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O7 .2835 0 .6534 .0135 .0057 .0150 .0150 0 -.0004 0 |
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O8 .1474 0 .4119 .0108 .0122 .0118 .0080 0 .0037 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Rengeite |
| |
Miyawaki R, Matsubara S, Miyajima H |
|
Journal of Mineralogical and Petrological Sciences 97 (2002) 7-12 |
|
The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 |
|
Locality: Itoigawa, Niigata Prefecture, Japan |
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Sample: P2_1/a refinement |
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_database_code_amcsd 0013130 |
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13.9830 5.6722 11.9960 90 114.215 90 P2_1/a |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sr1 .76860 .0003 .73673 .945 .00926 .0079 .0102 .0099 .0026 .0392 .0015 |
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Ce1 .76860 .0003 .73673 .055 .00926 .0079 .0102 .0099 .0026 .0392 .0015 |
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Sr2 .54661 .5002 .74201 .976 .00972 .0077 .0120 .0095 .0025 .0363 -.0002 |
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Ce2 .54661 .5002 .74201 .024 .00972 .0077 .0120 .0095 .0025 .0363 -.0002 |
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Zr3 0 .5 .5 .00608 .0058 .0055 .0073 .0010 .0031 .0015 |
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Ti4 .5000 .74198 .9998 .950 .0082 .0097 .0082 .0060 -.0052 .0025 -.0016 |
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Al4 .5000 .74198 .9998 .050 .0082 .0097 .0082 .0060 -.0052 .0025 -.0016 |
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Ti5 .27342 .0000 .00145 .90 .0079 .0083 .0069 .0086 .0003 .0035 -.0019 |
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Fe5 .27342 .0000 .00145 .10 .0079 .0083 .0069 .0086 .0003 .0035 -.0019 |
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Si1 .40775 .9985 .73610 .0075 .0062 .0078 .0093 .0020 .0040 .0080 |
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Si2 .83743 .0007 .45119 .0069 .0057 .0055 .0090 .0010 .0022 -.0030 |
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O1 .0699 .7383 .1783 .0057 |
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O2 .0605 .2655 .1803 .0087 |
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O3 .2086 .754 .8828 .012 |
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O4 .2100 .253 .8826 .005 |
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O5 .3886 .736 .4137 .006 |
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O6 .3885 .267 .4150 .017 |
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O7 .0924 .001 .9975 .0094 |
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O8 .4059 .001 .0024 .0079 |
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O9 .4771 .992 .6575 .0113 |
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O10 .2835 .005 .6534 .0124 |
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O11 .1474 .000 .4117 .0109 |
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| 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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