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Serandite |
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Takeuchi Y, Kudoh Y, Yamanaka T |
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American Mineralogist 61 (1976) 229-237 |
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Crystal chemistry of the serandite-pectolite series and related minerals |
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_database_code_amcsd 0000499 |
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7.683 6.889 6.747 90.53 94.12 102.75 P-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn1 .8527 .5943 .1363 .84 .0031 .0034 .0029 .0007 .0005 .0003 |
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Ca1 .8527 .5943 .1363 .16 .0031 .0034 .0029 .0007 .0005 .0003 |
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Mn2 .8497 .0840 .1332 .98 .0030 .0038 .0030 .0011 .0003 -.0001 |
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Ca2 .8497 .0840 .1332 .02 .0030 .0038 .0030 .0011 .0003 -.0001 |
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Na .5574 .2548 .3518 .0046 .0096 .0073 .0012 .0011 -.0002 |
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Si1 .2166 .4025 .3414 .0027 .0025 .0029 .0008 -.0002 -.0002 |
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Si2 .2071 .9527 .3506 .0027 .0027 .0025 .0009 .0009 -.0002 |
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Si3 .4546 .7389 .1429 .0020 .0034 .0025 .0006 .0002 .0001 |
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O1 .6643 .7953 .1146 .0030 .0053 .0054 .0008 .0015 .0005 |
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O2 .3235 .7079 -.0568 .0034 .0053 .0040 .0006 -.0002 -.0002 |
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O3 .1809 .4952 .5534 .0065 .0048 .0044 .0030 .0010 -.0003 |
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O4 .1599 .8458 .5568 .0062 .0043 .0044 .0013 .0015 .0003 |
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O5 .0611 .3908 .1683 .0033 .0060 .0029 .0007 -.0002 .0003 |
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O6 .0531 .8930 .1727 .0035 .0056 .0041 .0015 -.0004 -.0007 |
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O7 .4077 .5331 .2739 .0035 .0049 .0048 .0010 .0000 .0021 |
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O8 .3974 .9052 .2880 .0033 .0047 .0057 .0016 .0001 -.0017 |
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O9 .2614 .1899 .3928 .0048 .0033 .0054 .0010 .0003 .0004 |
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Serandite |
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Ohashi Y, Finger L W |
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American Mineralogist 63 (1978) 274-288 |
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The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, |
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wollastonite, and the pectolite-schizolite-serandite series |
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sample SRN, from Rouma, Island of Los, Guinea |
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_database_code_amcsd 0000623 |
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9.909 10.667 6.913 99.10 100.51 82.49 C-1 |
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atom x y z occ Biso |
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Mn1 .0052 .6431 .9062 .66 .80 |
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Ca1 .0052 .6431 .9062 .34 .80 |
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Mn2 .0082 .6416 .4158 .96 |
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Na3 .0462 .8977 .2473 1.58 |
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Si1 .2216 .0616 .0963 .63 |
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Si2 .2216 .0721 .5456 .64 |
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Si3 .2017 .8446 .7597 .64 |
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Oa1 .1157 .4464 .8901 .90 |
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Oa2 .1132 .4406 .3969 .95 |
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Oa3 .1346 .6892 .2133 .89 |
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Ob1 .1336 .1831 .0016 1.06 |
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Ob2 .1430 .1984 .6516 .93 |
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Ob3 .1113 .7273 .7011 .99 |
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Oc1 .1725 .0657 .3090 .88 |
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Oc2 .1581 .9474 .5959 .92 |
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Oc3 .1623 .9318 .9676 .99 |
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Serandite |
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Jacobsen S D, Smyth J R, Swope R J, Sheldon R I |
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American Mineralogist 85 (2000) 745-752 |
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Two proton positions in the very strong hydrogen bond of serandite, |
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NaMn2[Si3O8(OH)] |
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Sample: X-ray |
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_database_code_amcsd 0002430 |
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7.7185 6.9064 6.7624 90.492 94.085 102.775 P-1 |
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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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Na .55614 .25385 .35237 .0087 .0178 .0167 .0013 .0024 .0001 |
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Mn1 .85219 .59405 .13637 .944 .00817 .00719 .00775 .00144 .00110 .00019 |
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Mn2 .84956 .08396 .13308 .989 .00780 .00814 .00777 .00251 .00076 -.00010 |
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Si1 .21589 .40239 .34113 .00604 .00492 .00677 .00151 -.00037 .00005 |
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Si2 .20581 .95249 .35090 .00621 .00479 .00601 .00157 -.00006 -.00021 |
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Si3 .45398 .73904 .14312 .00481 .00619 .00611 .00109 .00053 -.00003 |
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H .179 .621 .533 .064 |
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O1 .66327 .79612 .11507 .0054 .0112 .0123 .0005 .0022 .0000 |
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O2 .32289 .70965 .94371 .0091 .0124 .0075 .0029 -.0015 -.0006 |
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O3 .18070 .49542 .55276 .0127 .0099 .0086 .0053 .0002 -.0023 |
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O4 .15867 .84596 .55620 .0147 .0074 .0073 .0022 .0021 .0013 |
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O5 .06121 .39059 .16778 .0074 .0117 .0076 .0018 -.0012 .0008 |
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O6 .05273 .89324 .17232 .0074 .0103 .0076 .0019 -.0012 -.0012 |
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O7 .40696 .53359 .27366 .0075 .0085 .0147 .0006 .0012 .0042 |
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O8 .39617 .90570 .28860 .0079 .0101 .0117 .0039 .0004 -.0037 |
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O9 .26035 .19025 .39346 .0102 .0048 .0121 .0023 .0000 .0003 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Serandite |
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Jacobsen S D, Smyth J R, Swope R J, Sheldon R I |
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American Mineralogist 85 (2000) 745-752 |
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Two proton positions in the very strong hydrogen bond of serandite, |
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NaMn2[Si3O8(OH)] |
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Sample: neutron |
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_database_code_amcsd 0002431 |
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7.7163 6.9116 6.7368 90.465 94.037 102.844 P-1 |
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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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Na .5557 .2553 .3529 .0080 .0149 .0195 .0000 .0028 .0005 |
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Mn1 .8531 .5945 .1349 .941 .0076 .0070 .0091 .0003 .0007 .0002 |
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Mn2 .8491 .0840 .1329 .983 .0070 .0069 .0087 .0021 .0011 -.0002 |
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Si1 .2151 .4017 .3424 .0046 .0042 .0073 .0012 .0007 -.0001 |
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Si2 .2059 .9511 .3512 .0054 .0042 .0053 .0012 .0004 .0005 |
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Si3 .4543 .7370 .1428 .0040 .0041 .0069 .0010 .0002 -.0005 |
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H1 .1482 .6374 .5498 .842 .0204 .0217 .0211 .0070 .0037 .0009 |
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H2 .1518 .6872 .5483 .158 .015 |
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O1 .6643 .7943 .1138 .0049 .0075 .0136 .0008 .0030 .00008 |
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O2 .3226 .7065 .9435 .0075 .0087 .0092 .0016 -.0015 -.0007 |
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O3 .1788 .4926 .5554 .0105 .0072 .0084 .0035 .0010 -.0014 |
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O4 .1598 .8443 .5572 .0132 .0056 .0075 .0014 .0024 .0015 |
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O5 .0614 .3912 .1671 .0063 .0099 .0071 .0013 -.0001 .0010 |
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O6 .0519 .8912 .1724 .0065 .0077 .0089 .0012 -.0011 -.0007 |
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O7 .4071 .5335 .2772 .0056 .0072 .0145 .0001 .0005 .0042 |
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O8 .3972 .9067 .2866 .0064 .0083 .0133 .0030 .0005 -.0041 |
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O9 .2593 .1888 .3931 .0092 .0032 .0138 .0018 .0005 -.0001 |
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View JMOL 3-D Structure (permalink) |
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Serandite |
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Williams E R, Weller M T |
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American Mineralogist 99 (2014) 1755-1760 |
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A variable-temperature neutron diffraction study of serandite: A Mn-silicate |
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framework with a very strong, two-proton site, hydrogen bond |
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Note: T = 4 K |
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Locality: Mont St. Hilaire, Quebec, Canada |
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_database_code_amcsd 0020402 |
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7.6844 6.8913 6.73493 90.4576 94.0805 102.7770 P-1 |
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atom x y z occ Uiso |
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Mn1 .8533 .5896 .1394 .0025 |
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Mn2 .8511 .0863 .1310 .944 .0105 |
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Ca2 .8511 .0863 .1310 .056 .0105 |
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Na1 .5598 .2514 .3582 .0100 |
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Si1 .2152 .4106 .3457 .0002 |
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Si2 .2068 .9442 .3461 .0002 |
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Si3 .4536 .7385 .1442 .0002 |
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O1 .6657 .7956 .1089 .0045 |
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O2 .3204 .7061 .9395 .0045 |
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O3 .1784 .4970 .5555 .0045 |
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O4 .1596 .8419 .5593 .0045 |
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O5 .0628 .3942 .1667 .0045 |
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O6 .0531 .8922 .1727 .0045 |
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O7 .4082 .5344 .2757 .0045 |
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O8 .3978 .9102 .2871 .0045 |
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O9 .2582 .1886 .3926 .0045 |
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H16 .1486 .635 .5544 .78 .0197 |
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H17 .141 .712 .498 .22 .0197 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Serandite |
|
Williams E R, Weller M T |
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American Mineralogist 99 (2014) 1755-1760 |
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A variable-temperature neutron diffraction study of serandite: A Mn-silicate |
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framework with a very strong, two-proton site, hydrogen bond |
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Note: T = 150 K |
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Locality: Mont St. Hilaire, Quebec, Canada |
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_database_code_amcsd 0020403 |
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7.6888 6.8934 6.73781 90.4467 94.0672 102.7771 P-1 |
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atom x y z occ Uiso |
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Mn1 .8522 .5900 .1389 .0030 |
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Mn2 .8512 .0895 .1324 .947 .004 |
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Ca2 .8512 .0895 .1324 .053 .004 |
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Na1 .5603 .2548 .3573 .0115 |
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Si1 .2170 .4114 .3474 .0033 |
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Si2 .2060 .9472 .3474 .0033 |
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Si3 .4591 .7392 .1464 .0033 |
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O1 .6664 .7960 .1090 .0051 |
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O2 .3216 .7070 .9391 .0051 |
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O3 .1785 .4970 .5555 .0051 |
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O4 .1602 .8434 .5580 .0051 |
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O5 .0642 .3936 .1674 .0051 |
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O6 .0524 .8935 .1734 .0051 |
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O7 .4089 .5349 .2766 .0051 |
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O8 .3983 .9109 .2862 .0051 |
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O9 .2581 .1883 .3951 .0051 |
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H16 .1461 .630 .552 .69 .0237 |
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H17 .161 .705 .533 .31 .0237 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Serandite |
|
Williams E R, Weller M T |
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American Mineralogist 99 (2014) 1755-1760 |
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A variable-temperature neutron diffraction study of serandite: A Mn-silicate |
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framework with a very strong, two-proton site, hydrogen bond |
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Note: T = 298 K |
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Locality: Mont St. Hilaire, Quebec, Canada |
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_database_code_amcsd 0020404 |
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7.70244 6.90030 6.74470 90.4159 94.0442 102.8006 P-1 |
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atom x y z occ Uiso |
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Mn1 .8456 .5884 .1399 .0099 |
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Mn2 .8559 .0903 .1329 .942 .013 |
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Ca2 .8559 .0903 .1329 .058 .013 |
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Na1 .5640 .2587 .3578 .0096 |
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Si1 .2129 .4124 .3509 .0077 |
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Si2 .2037 .9403 .3468 .0077 |
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Si3 .4575 .7393 .1466 .0077 |
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O1 .6663 .7941 .1126 .0107 |
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O2 .3200 .7058 .9408 .0107 |
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O3 .1758 .4955 .5553 .0107 |
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O4 .1582 .8404 .5633 .0107 |
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O5 .0606 .3948 .1654 .0107 |
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O6 .0539 .8905 .1769 .0107 |
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O7 .4068 .5360 .2775 .0107 |
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O8 .3990 .9114 .2815 .0107 |
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O9 .2618 .1873 .3891 .0107 |
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H16 .144 .633 .545 .67 .035 |
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H17 .167 .704 .526 .33 .035 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Serandite |
|
Williams E R, Weller M T |
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American Mineralogist 99 (2014) 1755-1760 |
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A variable-temperature neutron diffraction study of serandite: A Mn-silicate |
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framework with a very strong, two-proton site, hydrogen bond |
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Note: T = 575 K |
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Locality: Mont St. Hilaire, Quebec, Canada |
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_database_code_amcsd 0020405 |
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7.7283 6.9174 6.7608 90.362 94.016 102.822 P-1 |
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atom x y z occ Uiso |
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Mn1 .8444 .5831 .1385 .0158 |
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Mn2 .8552 .0917 .1343 .9258 .009 |
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Ca2 .8552 .0917 .1343 .0742 .009 |
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Na1 .5644 .2601 .3646 .042 |
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Si1 .2129 .4144 .3476 .0121 |
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Si2 .2072 .9513 .3465 .0121 |
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Si3 .4528 .7344 .1476 .0121 |
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O1 .6638 .7917 .1093 .0173 |
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O2 .3240 .7058 .9393 .0173 |
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O3 .1776 .4929 .5511 .0173 |
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O4 .1599 .8410 .5607 .0173 |
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O5 .0633 .3964 .1667 .0173 |
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O6 .0549 .8951 .1746 .0173 |
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O7 .4045 .5370 .2770 .0173 |
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O8 .3977 .9117 .2800 .0173 |
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O9 .2576 .1849 .3907 .0173 |
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H16 .135 .628 .551 .55 .044 |
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H17 .155 .703 .524 .45 .044 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Serandite |
|
Williams E R, Weller M T |
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American Mineralogist 99 (2014) 1755-1760 |
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A variable-temperature neutron diffraction study of serandite: A Mn-silicate |
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framework with a very strong, two-proton site, hydrogen bond |
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Note: T = 800 K |
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Locality: Mont St. Hilaire, Quebec, Canada |
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_database_code_amcsd 0020406 |
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7.7513 6.9384 6.7761 90.307 94.019 102.858 P-1 |
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atom x y z occ Uiso |
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Mn1 .8489 .5864 .1358 .031 |
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Mn2 .8502 .0880 .1349 .9258 .002 |
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Ca2 .8502 .0880 .1349 .0742 .002 |
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Na1 .5576 .258 .3630 .052 |
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Si1 .2126 .4130 .3487 .0189 |
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Si2 .2103 .9531 .3436 .0189 |
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Si3 .4563 .7326 .1460 .0189 |
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O1 .6636 .7906 .1130 .0226 |
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O2 .3230 .7045 .9382 .0226 |
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O3 .1755 .4874 .5495 .0226 |
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O4 .1597 .8424 .5617 .0226 |
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O5 .0627 .3932 .1654 .0226 |
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O6 .0530 .8931 .1745 .0226 |
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O7 .4041 .5342 .2749 .0226 |
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O8 .3999 .9084 .2795 .0226 |
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O9 .2579 .1847 .3907 .0226 |
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H16 .130 .627 .556 .49 .058 |
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H17 .168 .714 .541 .51 .058 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Serandite |
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Takeuchi Y, Kudoh Y, Haga N |
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Zeitschrift fur Kristallographie 138 (1973) 313-336 |
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The interpretation of partial Patterson functions and its application |
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to structure analyses of serandite Mn2NaHSi3O9 and banalsite BaNa2Al4Si4O16 |
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Locality: Tanohata mine, Japan |
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_database_code_amcsd 0010758 |
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7.683 6.889 6.747 90.53 94.12 102.75 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn1 .8527 .5943 .1363 .0028 .0030 .0026 .0006 .0005 .0003 |
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Mn2 .8496 .0840 .1332 .0022 .0029 .0021 .0009 .0003 -.0001 |
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Na1 .5573 .2547 .3518 .0038 .0086 .0063 .0010 .0010 -.0002 |
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Si1 .2166 .4025 .3414 .0019 .0015 .0019 .0006 -.0003 -.0002 |
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Si2 .2071 .9526 .3506 .0019 .0018 .0015 .0007 .0001 -.0002 |
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Si3 .4545 .7388 .1430 .0013 .0024 .0015 .0003 .0002 .0002 |
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O1 .6641 .7953 .1147 .0022 .0042 .0045 .0007 .0014 .0005 |
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O2 .3236 .7097 .9431 .0027 .0043 .0030 .0005 -.0002 -.0003 |
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OH3 .1809 .4954 .5533 .0057 .0037 .0034 .0029 .0009 -.0002 |
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O4 .1599 .8457 .5567 .0055 .0032 .0033 .0012 .0014 .0000 |
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O5 .0609 .3905 .1684 .0025 .0048 .0021 .0006 -.0002 .0003 |
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O6 .0530 .8932 .1727 .0027 .0046 .0029 .0013 -.0006 -.0007 |
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O7 .4077 .5332 .2738 .0027 .0038 .0037 .0008 .0000 .0018 |
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O8 .3973 .9052 .2879 .0024 .0035 .0048 .0013 -.0001 -.0018 |
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O9 .2613 .1900 .3928 .0038 .0026 .0041 .0008 .0001 .0002 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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