AMCSD Search Results

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1 matching records for this search.

Mg3V10O28*28H2O

Iida A, Ozeki T

Acta Crystallographica C60 (2004) i43-i46

Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O

_database_code_amcsd 0010330

10.4834 10.7309 21.2293 90.751 97.866 103.663 P-1

atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)

Mg1 .36814 .64111 .11116 .00893 .0095 .0075 .0090 .0020 -.0017 .0014

Mg2 .23696 .85624 .31211 .00920 .0078 .0098 .0093 .0017 -.0004 .0016

Mg3 .75884 .17655 .34686 .01084 .0100 .0088 .0133 .0007 .0030 -.0027

V1 .01390 .24943 .023068 .00664 .00690 .00442 .00841 .00097 .00102 .00095

V2 -.12606 -.14660 .086083 .00743 .00825 .00641 .00835 .00193 .00315 .00322

V3 -.24898 .09011 .065604 .00790 .00663 .00810 .00975 .00250 .00251 .00216

V4 .01812 .12080 .152868 .00824 .01062 .00869 .00560 .00372 -.00059 -.00024

V5 .14348 .01526 .047124 .00594 .00472 .00586 .00672 .00114 -.00077 .00091

V6 .34035 .37841 .395074 .00610 .00659 .00563 .00543 .00070 -.00008 .00045

V7 .42408 .39064 .607632 .00640 .00611 .00720 .00543 .00099 .00018 .00168

V8 .17308 .35497 .507868 .00697 .00490 .00793 .00744 .00051 .00044 .00095

V9 .36096 .17784 .497797 .00725 .00746 .00472 .00866 .00048 -.00036 .00118

V10 .60101 .40431 .496502 .00539 .00507 .00527 .00600 .00177 .00043 .00063

O1 .06339 .39143 -.00221 .0118 .0118 .0068 .0172 .0025 .0033 .0020

O2 -.17465 -.29019 .10872 .0140 .0177 .0102 .0159 .0034 .0076 .0052

O3 -.39140 .11831 .07086 .0129 .0100 .0154 .0149 .0052 .0035 .0030

O4 .07879 .17042 .22535 .0156 .0220 .0153 .0096 .0084 -.0047 -.0028

O5 -.28150 .02503 -.02698 .0094 .0070 .0103 .0107 .0027 -.0002 .0013

O6 .17817 .06983 .12320 .0097 .0097 .0104 .0085 .0032 -.0021 -.0002

O7 -.15061 .14006 .14536 .0096 .0117 .0100 .0086 .0042 .0033 .0020

O8 -.15803 .24264 .03364 .0090 .0092 .0087 .0100 .0039 .0012 .0023

O9 .07406 .26798 .10794 .0095 .0097 .0072 .0105 .0010 -.0006 -.0012

O10 -.27488 -.08202 .08441 .0101 .0075 .0110 .0126 .0021 .0039 .0027

O11 -.04116 -.05820 .16011 .0097 .0126 .0105 .0072 .0046 .0027 .0026

O12 .16761 .17856 .00828 .0075 .0057 .0057 .0102 -.0002 .0008 .0003

O13 .04842 -.15684 .06161 .0073 .0074 .0073 .0071 .0024 .0000 .0031

O14 -.04905 .04609 .04770 .0066 .0060 .0068 .0070 .0014 .0005 .0014

O15 .31059 .37189 .31834 .0109 .0122 .0116 .0078 .0015 .0001 .0001

O16 .45553 .39772 .68425 .0108 .0103 .0144 .0076 .0030 .0010 .0023

O17 .01814 .33846 .51011 .0114 .0074 .0132 .0130 .0014 .0008 .0015

O18 .35272 .02545 .49510 .0120 .0135 .0064 .0142 .0008 -.0013 .0011

O19 .23428 .54803 .50650 .0083 .0072 .0091 .0089 .0031 .0003 .0006

O20 .56095 .24272 .49581 .0076 .0084 .0058 .0085 .0022 .0004 .0007

O21 .19249 .18854 .50297 .0086 .0085 .0061 .0100 -.0005 .0005 .0013

O22 .17835 .36437 .41832 .0081 .0076 .0080 .0079 .0010 -.0006 .0010

O23 .34650 .21115 .41172 .0084 .0100 .0052 .0087 .0008 -.0010 .0000

O24 .24568 .37590 .59340 .0087 .0075 .0114 .0076 .0022 .0015 .0022

O25 .41177 .22076 .58628 .0082 .0081 .0060 .0097 .0004 .0009 .0017

O26 .54268 .42214 .40752 .0070 .0072 .0081 .0062 .0027 .0009 .0003

O27 .61069 .43407 .58771 .0067 .0072 .0070 .0061 .0023 .0004 .0013

O28 .39959 .39754 .50125 .0068 .0071 .0062 .0075 .0021 .0007 .0009

O29 .20417 .70626 .13009 .0133 .0147 .0152 .0117 .0087 -.0010 .0015

O30 .28291 .59050 .01891 .0119 .0126 .0076 .0130 .0012 -.0051 .0011

O31 .45800 .82080 .08286 .0134 .0086 .0101 .0202 .0009 .0000 .0053

O32 .47023 .70467 .20146 .0109 .0105 .0130 .0079 .0016 -.0015 .0025

O33 .29112 .46667 .14471 .0132 .0093 .0089 .0187 -.0003 -.0033 .0042

O34 .52740 .56597 .08970 .0131 .0120 .0117 .0158 .0022 .0041 .0003

O35 .07560 .79128 .24116 .0109 .0087 .0113 .0118 .0017 -.0008 .0035

O36 .27165 .67493 .30863 .0143 .0159 .0110 .0143 .0037 -.0048 .0019

O37 .21552 .04021 .31645 .0135 .0163 .0103 .0115 .0034 -.0065 -.0005

O38 .35812 .90049 .24374 .0143 .0157 .0093 .0186 .0021 .0069 .0017

O39 .40325 .91515 .38250 .0126 .0099 .0181 .0098 .0049 -.0016 .0020

O40 .12096 .80419 .38227 .0147 .0168 .0114 .0155 .0008 .0059 .0025

O41 .55648 .15355 .34636 .0159 .0109 .0238 .0147 .0070 .0038 -.0019

O42 .72967 -.02248 .34442 .0158 .0270 .0081 .0109 -.0007 .0071 -.0022

O43 .79438 .17481 .44430 .0145 .0125 .0136 .0137 -.0021 -.0014 -.0019

O44 .76817 .37020 .35071 .0207 .0299 .0129 .0211 .0043 .0117 -.0011

O45 .72756 .16439 .24970 .0168 .0151 .0273 .0120 .0103 .0061 .0032

O46 .96004 .1961 .34707 .0421 .0094 .0625 .0461 -.0068 .0071 -.0450

O47 .84110 .67127 .28246 .0143 .0110 .0168 .0135 .0000 .0016 .0003

O48 .45585 .35168 .21830 .0145 .0146 .0167 .0138 .0060 .0040 .0028

O49 .72061 .85099 .22993 .0142 .0177 .0136 .0109 .0007 .0060 .0001

O50 .47564 .11250 .18493 .0158 .0197 .0131 .0139 .0015 .0046 -.0005

O51 .01521 .53150 .36980 .0196 .0206 .0196 .0181 .0047 .0012 .0044

O52 .90891 .46003 .13737 .0196 .0286 .0139 .0173 .0070 .0042 -.0025

O53 .00594 .98053 .42894 .0203 .0106 .0158 .0333 .0017 .0019 .0023

O54 .08233 .46651 .25104 .0209 .0211 .0169 .0242 .0078 -.0035 -.0027

O55A .4295 .3204 .0293 .685 .0140 .0107 .0131 .019 .0025 .0030 .0013

O55B .4337 .3084 .0593 .315 .0162

O56A .6925 .4934 .19051 .657 .0149 .0138 .0155 .0146 .0035 -.0008 .0040

O56B .7229 .4420 .2211 .343 .0159

H29A .1628 .7522 .1137 .020

H29B .1900 .7178 .1642 .020

H30A .2205 .5238 .0131 .018

H30B .2432 .6377 -.0051 .018

H31A .4236 .8815 .0703 .020

H31B .5358 .8530 .0881 .020

H32A .5426 .7466 .2038 .016

H32B .4738 .6560 .2314 .016

H33A .3384 .4274 .1681 .020

H33B .2229 .4083 .1388 .020

H34A .5030 .4927 .0740 .020

H34B .5489 .5944 .0509 .020

H35A .0472 .8420 .2168 .016

H35B .0116 .7494 .2541 .016

H36A .2218 .6072 .2889 .021

H36B .3060 .6361 .3432 .021

H37A .1804 .0755 .2880 .020

H37B .2551 .0936 .3485 .020

H38A .3946 .9771 .2304 .021

H38B .3872 .8367 .2327 .021

H39A .4594 .8714 .3881 .019

H39B .3912 .9412 .4221 .019

H40A .0904 .8621 .3985 .022

H40B .0858 .7251 .3875 .022

H41A .5000 .1857 .3613 .024

H41B .4994 .0674 .3576 .024

H42A .7349 -.0480 .3095 .024

H42B .6958 -.0803 .3673 .024

H43A .8552 .2404 .4684 .022

H43B .7326 .1316 .4647 .022

H44A .8449 .3895 .3510 .031

H44B .7034 .4001 .3731 .031

H45A .7818 .1741 .2246 .025

H45B .6590 .1508 .2335 .025

H46A .0279 .2606 .3681 .063

H46B .9784 .1952 .3137 .063

H47A .7985 .6085 .2618 .022

H47B .8250 .6574 .3191 .022

H48A .5403 .3916 .2203 .022

H48B .4338 .3631 .2537 .022

H49A .7611 .8841 .2026 .021

H49B .7740 .8019 .2485 .021

H50A .4809 .0987 .1465 .024

H50B .4540 .1865 .1957 .024

H51A .0360 .5202 .3320 .029

H51B .0719 .5020 .3987 .029

H52A .9151 .5284 .1173 .029

H52B .9120 .4046 .1194 .029

H53A .0582 .0612 .4413 .030

H53B -.0711 .9261 .4567 .030

H54A .0343 .4784 .2160 .031

H54B .1085 .3954 .2455 .031

H55A .3529 .2812 .0311 .685 .021

H55B .4774 .2720 .0316 .685 .021