American Mineralogist Crystal Structure Database

7 matching records for this search.

NaMg(H2PO3)3*H2O
 
Ouarsal R, Tahiri A A, Lachkar M, Dusek M, Fejfarova K, El Bali B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=33
Acta Crystallographica E59 (2003) i33-i35
Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O
_database_code_amcsd 0010399
14.8060 9.078 14.811 90 90 90 Pbca
atom      x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Na1  .93245  .06142  .15732  .0264  .0296  .0227  .0267  -.0072 -.0136   .0078
Mg1  .95397  .44768  .16036 .01237  .0125  .0121  .0125  -.0001 -.0012  -.0003
P1   .88097  .73759  .27655 .01290  .0114  .0125  .0148 -.00014  .0011 -.00160
P2   .73601 -.03858  .03132 .01396  .0113  .0151  .0154 -.00106 .00093  -.0009
P3   .99216  .27043 -.03020 .01409  .0168  .0124  .0131 -.00101  .0023  -.0008
O1   .83022  .01936  .04050  .0219  .0133  .0309  .0214  -.0052  .0002   .0017
O2   .67081  .01163  .10360  .0206  .0162  .0228  .0228  -.0016  .0063  -.0041
O3   .93078  .88124  .27105  .0171  .0169  .0139  .0206  -.0016 -.0040   .0010
O4   .97033  .40461 -.08581  .0194  .0197  .0210  .0175   .0001  .0018   .0068
O5   .80042  .74139  .20597  .0243  .0158  .0230  .0340   .0058 -.0102  -.0110
O6   .97054  .27935  .06863  .0191  .0303  .0149  .0121  -.0022 -.0006   .0004
O7   .88190   .2877  .23950  .0211  .0146  .0288  .0199  -.0040 -.0009   .0034
O8   .93482  .59990  .26106  .0173  .0187  .0153  .0178   .0034 -.0048  -.0036
O9   .70170   .0047 -.06526  .0315  .0207  .0536  .0202  -.0060 -.0051   .0069
O10  .94366   .1322 -.07248  .0339  .0546  .0291  .0179  -.0240  .0122  -.0089
H1     .832    .289    .235   .047
H2    .7366   -.177   .0279   .020
H3    .8411    .726   .3515   .014
H4     .912    .093   -.039   .067
H5     .651   -.007   -.074   .051
H6    .0773    .244  -.0395   .019
H7     .895    .300    .296   .041
H8     .807    .660    .171   .052
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K2Zn(H2P2O7)2*2H2O
 
Tahiri A A, ouarsal R, Lachkar M, Zavalij P Y, El Bali B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=50
Acta Crystallographica E59 (2003) i50-i52
Dipotassium zinc bis(dihydrogendiphosphate) dihydrate, K2Zn(H2P2O7)2*2H2O
_database_code_amcsd 0010404
6.827 7.333 7.570 80.753 72.547 83.442 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .89203 .26588 .70406 .0330  .0422  .0272  .0347  .0050 -.0193 -.0088
Zn1      .5     .5     .5 .0172  .0218  .0135  .0199 -.0022 -.0085 -.0069
O1W   .5496  .7084  .2659 .0249   .034   .019   .022 -.0068 -.0057 -.0045
H1W   .6116  .6620  .1712   .06
H2W   .5971  .7950  .2787   .10
P1   .32331 .27285 .24797 .0165  .0189  .0152  .0182 -.0025 -.0077 -.0053
P2   .75109 .18972 .24168 .0157  .0181  .0147  .0163 -.0024 -.0055 -.0059
O1    .5623  .2317  .1528 .0222  .0193   .031  .0200 -.0003 -.0082 -.0106
O2    .2936  .3926  .3967 .0189  .0205  .0159  .0261 -.0012 -.0096 -.0135
O3    .2376  .3499  .0907 .0216  .0223   .025  .0206 -.0045 -.0114  .0016
O4    .2362  .0815  .3359 .0246   .039  .0161  .0243 -.0084 -.0157 -.0006
H4    .2492  .0549  .4414   .10
O5    .7418  .3276  .3708 .0223  .0259  .0209  .0261 -.0024 -.0102 -.0144
O6    .9303  .2144  .0615 .0220  .0221   .028  .0192 -.0107 -.0051 -.0083
H6    .0168  .2738  .0775   .07
O7    .7467 -.0092  .3307 .0257   .036   .020  .0218 -.0059 -.0102  .0004
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Ba2CoSi2O7
 
El Bali B, Zavalij P Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=59
Acta Crystallographica E59 (2003) i59-i61
Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7
_database_code_amcsd 0010406
8.1709 8.1709 5.3374 90 90 90 P-42_1m
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Ba   .33427 .16573 .00875 .01252 .01256 .01256  .0124 .00251 .00097 -.00097
Co        0      0     .5  .0087  .0068  .0068  .0126      0      0       0
Si   .63650 .13650  .5426  .0060  .0060  .0060  .0060 -.0012  .0006   .0006
O1       .5      0  .6421  .0090   .013   .013   .001  -.006      0       0
O2    .8056  .0780  .6806  .0094   .006   .011   .011  .0016  .0021  -.0017
O3    .6393  .1393  .2445  .0130   .017   .017   .006  -.006  .0017   .0017
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K2Mn(H2P2O7)2*2H2O
 
Tahiri A A, Ouarsal R, Lachkar M, Zavalij P Y, El Bali B
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Acta Crystallographica E59 (2003) i68-i69
Dipotassium manganese(II) bis(dihydrogendiphosphate) dihydrate, K2Mn(H2P2O7)2*2H2O
_database_code_amcsd 0010408
9.7613 11.1627 13.3949 90 90 90 Pnma
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1   .05769    .75 .59987  .0390  .0600  .0358  .0210      0  .0040      0
K2   .74566    .75 .36729  .0339  .0267  .0216  .0536      0  .0076      0
Mn1  .33051    .25 .36103 .01938  .0194  .0163  .0224      0  .0016      0
O1W   .4837    .25  .4806  .0277   .028   .022   .033      0 -.0085      0
H1W    .530   .193   .487   .047
O2W   .1915    .25  .2273  .0333   .028   .025   .047      0 -.0138      0
H2W    .149   .191   .219   .043
P1   .43974 .51850 .27879 .01861  .0188  .0176  .0194  .0008  .0014  .0021
P2   .24339 .51768 .44285 .01899  .0178  .0192  .0200  .0012  .0006 -.0009
O1    .2142 .38573 .43567  .0251  .0253  .0208  .0290  .0002  .0093 -.0034
O2    .1122  .5935 .45127  .0241  .0191  .0289  .0243  .0052 -.0028 -.0066
H2     .058   .582   .412   .030
O3    .3390 .55569 .52372  .0278  .0264  .0313  .0259 -.0053 -.0077  .0029
O4    .3061 .56086 .33763  .0236  .0253  .0240  .0217  .0057  .0062  .0037
O5    .5636  .5700 .33626  .0295  .0284  .0263  .0337 -.0065 -.0094  .0064
H5     .595   .523   .384   .041
O6    .4296 .57680 .17940  .0283  .0251  .0350  .0247  .0083  .0027  .0094
O7   .44528 .38401 .28054  .0224  .0234  .0185  .0251  .0000  .0045 -.0013
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K2Ni(H2P2O7)2*2H2O
 
Tahiri A A, Messouri I, Lachkar M, Zavalij P Y, Glaum R, El Bali B, Rachid O
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=3
Acta Crystallographica E60 (2004) i3-i5
Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate, K2Ni(H2P2O7)2*2H2O
_database_code_amcsd 0010416
6.8554 7.3124 7.5610 81.012 72.301 83.691 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .89190 .26756 .70308 .0343  .0414  .0312  .0335  .0084 -.0185 -.0060
Ni    .5000  .5000  .5000 .0171  .0183  .0166  .0171 -.0004 -.0059 -.0035
P1   .32676 .27260 .24671 .0177  .0170  .0194  .0183 -.0010 -.0073 -.0034
P2   .75328 .19077 .24060 .0172  .0169  .0186  .0161  .0000 -.0050 -.0031
O1    .5669  .2310  .1500 .0234  .0181  .0336  .0210  .0028 -.0087 -.0080
O2    .2983  .3920  .3973 .0207  .0172  .0226  .0224 -.0014 -.0047 -.0052
O3    .2424  .3528  .0886 .0230  .0242  .0270  .0191 -.0052 -.0092  .0017
O4    .2371  .0813  .3333 .0256  .0355  .0192  .0243 -.0070 -.0119  .0007
H4     .248   .054   .435  .037
O5    .7435  .3319  .3681 .0229  .0210  .0277  .0227  .0038 -.0083 -.0115
O6    .9340  .2145  .0597 .0239  .0214  .0313  .0189 -.0062 -.0030 -.0056
H6    1.021   .270   .068  .048
O7    .7472 -.0067  .3329 .0263  .0359  .0202  .0238 -.0073 -.0118  .0040
O1W   .5489  .7052  .2727 .0237  .0312  .0197  .0184 -.0038 -.0036 -.0032
H1W    .608   .674   .174  .036
H2W    .596   .792   .286  .036
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K2Co(HPO3)2*2H2O
 
Ouarsal R, Essehli R, Lachkar M, Zenkouar M, Dusek M, Fejfarova K, El Bali B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=60&spage=66
Acta Crystallographica E60 (2004) i66-i68
Dipotassium cobalt(II) bis(hydrogenphosphite) dihydrate, K2Co(HPO3)2*2H2O
_database_code_amcsd 0010429
12.538 5.319 7.327 90 116.02 90 C2/m
atom      x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .33740    .5 .71451 .0231  .0192  .0290  .0213      0  .0090      0
Co       .5     0     .5 .0148  .0155  .0124  .0170      0  .0076      0
P    .35035    .5 .25574 .0153  .0132  .0145  .0162      0  .0045      0
O1    .4207    .5  .1329 .0255  .0265  .0327  .0201      0  .0128      0
O2    .5159     0  .2161 .0276  .0283  .0338  .0219      0  .0120      0
O3   .36625 .2659  .3831 .0214  .0217  .0141  .0294  .0024  .0120  .0043
H1     .238    .5   .110  .014
H2     .481 -.136   .160   .03
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KMg(HP2O7)*2H2O
 
El Bali B, Tahiri A A, Lachkar M, Arriortua M I, Urtiaga M K
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=275
Acta Crystallographica E61 (2005) i275-i277
Potassium magnesium hydrogendiphosphate dihydrate
Locality: synthetic
_database_code_amcsd 0010468
15.5203 7.7786 6.4822 90 90 90 Pnma
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
K1   .96413     .25 -.12003     .02210  .0179  .0295  .0188      0 .00018       0
Mg1  .69513     .25  .56069     .01128  .0101  .0105  .0132      0  .0008       0
P    .86405  .06195  .36157     .01036  .0097 .00918 .01219 .00038 .00041 -.00174
O4   .77213  .06553  .43220      .0151  .0102  .0129  .0221 -.0003  .0041  -.0029
O1   .88901     .25   .2744      .0143  .0175  .0105  .0149      0  .0051       0
O5W  .89127    -.25   .8112      .0198  .0257  .0179  .0160      0  .0046       0
H5W   .8945   -.344    .708       .045
O6W  .71889    -.25   .3220      .0183  .0209  .0138  .0204      0  .0027       0
H6W   .7365   -.147    .391       .045
O2   .92483  .03029  .54646      .0168  .0146  .0222  .0136  .0035 -.0031   .0008
H2     .977   -.016    .516  .5   .045
O3   .88318 -.05737  .18544      .0156  .0146  .0149  .0173  .0007  .0005  -.0074
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Total number of retrieved datasets: 7
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