Melilite
Armbruster T, Rothlisberger F
American Mineralogist 75 (1990) 963-969
Crystal growth and structures of mixed-anion silicates-germanates:
Ca5[(Ge,Si)2O7][(Ge,Si)O4] and Na2Ca6[Si2O7][SiO4]2
sample Na2Ca6Si4O15
_database_code_amcsd 0001319
5.525 17.413 14.489 90 90.57 90 P2_1/c
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1   .7174 .43889  .4516 .37      0.0216 0.0115 0.0135 0.0015 -.0053 0.0001
Ca1   .7174 .43889  .4516 .63      0.0216 0.0115 0.0135 0.0015 -.0053 0.0001
Na2   .2481  .2755  .1549 .68      0.0295 0.0122 0.0154 0.0022 0.0052 0.0034
Ca2   .2481  .2755  .1549 .32      0.0295 0.0122 0.0154 0.0022 0.0052 0.0034
Na3   .2274  .6503  .2985          0.0220 0.0154 0.0224 0.0002 0.0036 -.0061
Ca1   .2446 .74221 .98536          0.0089 0.0083 0.0112 0.0006 0.0008 0.0008
Ca2   .1948 .56255 .09917          0.0098 0.0146 0.0080 0.0004 0.0001 0.0026
Ca3   .7049 .73337 .12063          0.0129 0.0103 0.0103 0.0000 0.0008 0.0001
Ca4   .2888 .56823 .85372          0.0155 0.0122 0.0099 -.0014 -.0003 0.0024
Ca5   .2538 .44438 .29060          0.0098 0.0089 0.0079 0.0004 0.0006 0.0012
Si1   .7302 .59724 .98371          0.0066 0.0064 0.0061 0.0002 0.0000 0.0003
Si2   .2044 .80792 .21690          0.0105 0.0086 0.0054 0.0000 0.0001 -.0006
Si3   .7257 .57795  .2677          0.0066 0.0063 0.0060 -.0006 0.0003 0.0004
Si4   .7812 .61555  .4710          0.0092 0.0069 0.0070 0.0002 0.0003 -.0007
O1    .6865  .5639  .3805           0.017 0.0128 0.0057 -.0052 0.0012 -.0010
O2    .4700  .6346  .0073          0.0072 0.0117  0.019 0.0032 0.0037 0.0016
O3    .4800  .5464  .2202          0.0083 0.0135 0.0106 -.0018 -.0019 0.0014
O4   -.0622  .6581  .0163          0.0097 0.012 5 0.017 -.0029 -.0009 -.0038
O5    .2598  .4171  .1272           0.024  0.013 0.0072 0.0001 0.0008 -.0007
O6    .0556  .8563  .9557           0.013  0.016  0.018 0.0042 -.0006 0.0003
O7    .2902  .7382  .1509           0.019  0.018  0.012 0.0045 0.0014 -.0055
O8   -.0437  .5287  .2342          0.0098  0.019  0.012 0.0055 0.0013 0.0020
O9    .3571  .6132  .6975           0.016  0.016  0.013 0.0083 0.0009 -.0004
O10   .2245  .4832  .9643          0.0151 0.0099  0.013 0.0018 -.0006 0.0028
O11a   .217  .7118  .8282 .52  0.8
O11d   .282  .7111  .8259 .48  0.9
O12   .6014  .8128  .9865           0.020  0.021  0.024 -.0112 -.0041 0.0094
O13   .9175  .8248  .2009          0.0113 0.0110  0.023 0.0010 -.0011 -.0003
O14   .7703  .6680  .2539           0.029 0.0088  0.014 -.0050 -.0019 0.0021
O15a   .199  .4506  .4493 .38  0.5
O15b   .268  .4492  .4495 .62  1.1