Murmanite
Rastsvetaeva R K, Andrianov V I
Soviet Physics Crystallography 31 (1986) 44-48
New data on the crystal structure of murmanite
_database_code_amcsd 0015586
8.700 8.728 11.688 94.31 98.62 105.62 P1
atom     x    y    z occ Biso
Na1   .905 .303 .988  .5  .10
Na2   .069 .682 .974  .5  .63
Na3   .381 .805 .004  .5 1.97
Na4   .552 .174 .986  .5  .75
Na5   .983 .177 .272  .3 1.37
Mn2+5 .983 .177 .272 .45 1.37
Zr5   .983 .177 .272 .25 1.37
Na6   .492 .313 .696  .4 1.95
Ca6   .492 .313 .696  .6 1.95
Na7   .985 .809 .705  .8 2.39
K7    .985 .809 .705  .2 2.39
Na8   .480 .673 .272     3.73
Ti1   .683 .551 .994 .85 1.10
Fe3+1 .683 .551 .994 .15 1.10
Ti2   .165 .069 .001 .85 1.28
Fe3+2 .165 .069 .001 .15 1.28
Ti3   .316 .445 .981 .85 1.41
Fe3+3 .316 .445 .981 .15 1.41
Ti4   .800 .940 .983 .85 1.26
Fe3+4 .800 .940 .983 .15 1.26
Ti5   .743 .068 .721  .8 1.87
Nb5   .743 .068 .721  .2 1.87
Ti6   .248 .568 .717  .8 2.16
Nb6   .248 .568 .717  .2 2.16
Ti7   .220 .950 .271  .8 1.09
Nb7   .220 .950 .271  .2 1.09
Ti8   .754 .414 .258  .8  .82
Nb8   .754 .414 .258  .2  .82
Si1   .142 .187 .742     1.64
Si2   .647 .687 .742     1.57
Si3   .143 .537 .222     1.53
Si4   .823 .798 .228     1.28
Si5   .613 .009 .215      .96
Si6   .356 .328 .228     1.01
Si7   .344 .965 .766     1.89
Si8   .852 .466 .753     2.09
O1    .317 .284 .088     1.54
O2    .815 .764 .096     1.51
O3    .984 .942 .277     1.12
O4    .146 .506 .077     2.45
O5    .606 .967 .070     1.77
O6    .730 .411 .103     2.74
O7    .197 .936 .114     1.45
O8    .431 .004 .272      .47
O9    .225 .686 .265     2.94
O10   .756 .187 .254      .70
O11   .973 .100 .088     2.02
O12   .992 .899 .924     2.30
O13   .491 .612 .074     2.13
O14   .305 .491 .265      .85
O15   .522 .377 .290     1.57
O16   .686 .876 .275     2.29
O17   .231 .193 .289      .49
O18   .508 .395 .907     2.07
O19   .809 .639 .292      .82
O20   .159 .243 .893     1.59
O21   .224 .328 .696     3.85
O22   .993 .416 .247     1.53
O23   .517 .051 .718     3.69
O24   .014 .540 .725     4.30
O25   .270 .581 .879     1.47
O26   .692 .852 .697     4.28
O27   .771 .083 .892     3.15
O28   .211 .026 .714     3.86
O29   .502 .549 .711     3.48
O30   .947 .141 .712     2.16
O31   .673 .733 .906     2.28
O32   .342 .995 .915     2.43
O33   .856 .505 .899     1.98
O34   .315 .769 .722     1.94
O35   .816 .634 .726     2.72
O36   .817 .274 .721     3.06
Wat1  .249 .982 .459     3.16
Wat2  .775 .446 .460     2.59
Wat3  .998 .230 .453     3.73
Wat4  .473 .767 .451     1.95
Wat5  .988 .762 .521     4.12
Wat6  .500 .255 .505     2.80
Wat7  .691 .054 .534     3.34
Wat8  .208 .547 .536     2.97