American Mineralogist Crystal Structure Database

1 matching records for this search.

H2 K7 N O22 P6
 
Averbuch-Pouchot M, Durif A
European Journal of Solid State and Inorganic Chemistry 29 (1992) 1161-1172
Structural characterization of a series of cyclohexaphosphate nitrates:
M6P6O18.MNO3.H2O. (M=K, NH4 and Rb)
_cod_database_code 1007208
_database_code_amcsd 0012559
9.700 9.749 6.543 107.23 106.37 75.88 P1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .44970  .8368  .7158  .0165  .0267  .0211 -.0056  .0040  .0068
K2        0      0     .5  .0261  .0313  .0309 -.0117  .0125 -.0026
K3    .8474  .4447  .7536  .0304  .0257  .0227 -.0034  .0033  .0065
K4    .7181  .7281  .3273  .0270  .0316  .0338  .0078  .0161  .0160
K5    .5519  .1624  .2862  .0211  .0262  .0200 -.0073  .0033  .0027
K6    .1560 .55346  .2486  .0380  .0143  .0204  .0013  .0062  .0031
K7    .2801  .2685  .6727  .0388  .0259  .0364 -.0077  .0217  .0069
P1    .3005 .91030  .1788  .0135  .0099  .0131 -.0002  .0029  .0023
P2   .14247 .18215  .0752  .0129  .0145  .0136 -.0044  .0027  .0049
P3    .8616 .29646  .1855  .0159  .0117  .0148 -.0046  .0007  .0028
P4    .7023  .0880  .8232  .0130  .0154  .0121 -.0034  .0007  .0036
P5    .8619 .81644  .9333  .0116  .0087  .0212 -.0008 -.0008  .0041
P6    .1422  .7007  .8194  .0151  .0176  .0153 -.0021  .0066  .0007
O1    .2666  .9715  .3975   .029   .028   .013  -.008 -.0015  .0033
O2    .2021  .0110  .0147   .018  .0180  .0121  .0033 -.0036  .0098
O3    .4553  .8915  .1619  .0086   .022   .033 -.0009  .0072  .0054
O4    .2332  .7626  .0620   .027  .0088  .0121 -.0114 -.0038  .0013
O5    .2580  .2596  .2413  .0099   .017   .038 -.0048  -.001  -.003
O6    .0805  .2247  .8633   .020  .0221  .0203  .0018  .0003  .0197
O7    .0149  .1849  .1873  .0132   .026  .0199  .0035  .0032  .0109
O8    .8825  .4435  .1896  .0190  .0063   .033 -.0038  .0075 -.0005
O9    .7993  .2725  .3528  .0230   .036   .020 -.0156  .0077  .0052
O10   .7659  .2364  .9412   .019   .022   .025 -.0002  .0012  .0100
O11   .7391  .0339  .6051  .0229   .019  .0136  .0011  .0121  .0020
O12   .5517  .1136  .8441   .025   .026   .026 -.0063  .0067  .0067
O13   .7997 -.0115 -.0106   .035  .0092   .022 -.0056  .0085 -.0021
O14   .7535  .7385  .7671   .027   .023   .035 -.0113  -.005   .008
O15   .9251  .7767  .1454   .026   .024   .030 -.0021  .0129  .0057
O16  -.0113  .8118  .8135   .022  .0234   .026 -.0037  .0069  .0143
O17   .2033  .7241  .6539   .032   .029   .021  -.006  .0125  -.003
O18   .1178  .5542  .8050   .036   .028   .026  -.010   .000   .005
O19   .4876  .5983  .3705   .062   .033   .037  -.001   .007   .000
N1    .5090  .4707  .8239   .020   .017   .026  -.001   .004   .002
O20   .4945  .3984  .6223   .063   .037   .014  -.023   .007  -.004
O21   .4508  .4453  .9527   .045   .036   .029 -.0014   .017  -.002
O22   .5821  .5708  .8880   .039   .035   .045  -.017   .006   .005
H1     .532   .534    .47
H2      .45    .58    .24
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