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SrSbF5 |
| |
Gravereau P, Mirambet C, Fournes L, Grannec J, Lozano L |
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Acta Crystallographica C46 (1990) 2294-2297 |
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Structure of alkaline-earth pentafluoroantimonates(III), |
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MSbF5 (M = Sr,Ba) |
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_database_code_amcsd 0010216 |
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4.378 8.853 11.233 90 90 90 Pbcm |
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atom x y z Biso |
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Sr .0084 .25 0 .826 |
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Sb .3890 .0537 .25 .839 |
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F1 .0758 .2124 .25 1.56 |
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F2 .4793 .7011 .1118 1.96 |
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F3 .0878 .9870 .1140 1.81 |
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|
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|
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BaSbF5 |
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Gravereau P, Mirambet C, Fournes L, Grannec J, Lozano L |
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Acta Crystallographica C46 (1990) 2294-2297 |
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Structure of alkaline-earth pentafluoroantimonates(III), |
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MSbF5 (M = Sr,Ba) |
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_database_code_amcsd 0010217 |
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4.676 9.313 11.213 90 90 90 Pbcm |
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atom x y z Biso |
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Ba .02762 .25 0 .853 |
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Sb .40594 .04943 .25 1.016 |
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F1 .1184 .2040 .25 1.48 |
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F2 .4573 .6873 .1148 2.16 |
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F3 .1189 .9856 .1174 2.09 |
|
|
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|
| |
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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008577 |
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_database_code_amcsd 0016468 |
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8.9018 8.9018 22.2021 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .0454 -.0977 .0007 .1667 |
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Zr1 0 0 .1419 |
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P1 .2861 0 .25 |
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O1 .1839 -.0082 .1915 |
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O2 .1949 1/6 .0832 |
|
|
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|
| |
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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008578 |
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_database_code_amcsd 0016469 |
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8.892 8.892 22.190 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .046 -.093 0 .1667 |
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Zr1 0 0 .142 |
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P1 .286 0 .25 |
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O1 .187 -.009 .194 |
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O2 .198 .171 .085 |
|
|
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|
| |
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Crednerite |
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Topfer J, Trari M, Gravereau P, Chaminade J P, Doumerc J P |
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Zeitschrift fur Kristallographie 210 (1995) 184-187 |
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Crystal growth and reinvestigation of the crystal structure of crednerite, CuMnO2 |
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Locality: synthetic |
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_database_code_amcsd 0011064 |
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5.578 2.881 5.886 90 104.00 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu 0 .5 .5 .0109 .0168 .0102 .0049 0 .0006 0 |
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Mn 0 0 0 .96 .0051 .0063 .0038 .0059 0 .0029 0 |
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Cu 0 0 0 .04 .0051 .0063 .0038 .0059 0 .0029 0 |
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O .4070 0 .1789 .0064 .0089 .043 .0062 0 .0622 0 |
|
|
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|
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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 337-346 |
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Evidence of copper pairing in Cu2^I^CrZr(PO4/4)3, a crystallographic study |
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_cod_database_code 1008543 |
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_database_code_amcsd 0016434 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
|
|
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|
| |
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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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Journal of Alloys and Compounds 188 (1992) 113-116 |
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Structure of Cu^I^2CrZr(PO4)3 by powder neutron diffraction |
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_cod_database_code 1008589 |
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_database_code_amcsd 0016480 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
|
|
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|
| |
|
Ga4 Na Nd S8 |
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Ibanez R, Gravereau P, Garcia A, Fouassier C |
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Journal of Solid State Chemistry 73 (1988) 252-258 |
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Structural Study of NaNdGa4S8, a Luminescent Material with Low- |
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Concentration Quenching |
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_cod_database_code 1008350 |
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_database_code_amcsd 0016261 |
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20.122 20.143 12.142 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .125 .125 .125 .0107 .0048 .0102 0 0 0 |
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Nd2 .125 .125 .625 .0131 .0063 .0102 0 0 0 |
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Na1 .3785 .125 .125 .0193 .0318 .0351 0 0 -.0032 |
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Ga1 .7527 .4892 .1254 .0152 .0067 .0091 .0012 .0003 -.0007 |
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Ga2 .7496 .6952 .4140 .0153 .0065 .0079 -.0005 .0008 -.0005 |
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S1 .0041 .5933 .2514 .0179 .0055 .0120 -.0015 .0036 .0022 |
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S2 .75 .5821 .0156 .0176 .0047 .0058 .0006 .0001 .0001 |
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S3 .5850 .7474 .2446 .0123 .0093 .0103 .0034 .0017 -.0017 |
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S4 .9143 .4977 .9963 .0130 .0090 .0119 -.0005 .0020 .0003 |
|
|
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|
| |
|
Ga4 Na Nd S8 |
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Ibanez R, Gravereau P, Garcia A, Fouassier C |
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Journal of Solid State Chemistry 73 (1988) 252-258 |
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Structural Study of Na Nd Ga4 S8, a Luminescent Material with Low- |
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Concentration Quenching |
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_cod_database_code 1008365 |
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_database_code_amcsd 0016275 |
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20.122 20.143 12.142 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Nd1 .125 .125 .125 .0107 .0048 .0102 0 0 0 |
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Nd2 .125 .125 .625 .0131 .0063 .0102 0 0 0 |
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Na1 .3785 .125 .125 .0193 .0318 .0351 0 0 -.0032 |
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Ga1 .7527 .4892 .1254 .0152 .0067 .0091 .0012 .0003 -.0007 |
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Ga2 .7496 .6952 .4140 .0153 .0065 .0079 -.0005 .0008 -.0005 |
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S1 .0041 .5933 .2514 .0179 .0055 .0120 -.0015 .0036 .0022 |
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S2 .75 .5821 .0156 .0176 .0047 .0058 .0006 .0001 .0001 |
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S3 .5850 .7470 .2446 .0123 .0093 .0103 .0034 .0017 -.0017 |
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S4 .9143 .4977 .9963 .0130 .0090 .0119 -.0005 .0020 .0003 |
|
|
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|
| |
|
Ge2 Li O12 P3 |
| |
Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
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Journal of Solid State Chemistry 90 (1991) 185-193 |
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Structure and thermal expansion of LiGe2(PO4)3 |
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_cod_database_code 1008510 |
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_database_code_amcsd 0016403 |
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8.275 8.275 20.47 90 90 120 R-3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li1 0 0 0 .0405 .0405 .0118 .0203 0 0 |
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Ge1 0 0 .14097 .0030 .0030 .0037 .0015 0 0 |
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P1 .2879 0 .25 .0026 .0034 .0049 .0013 .0006 .0012 |
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O1 .1802 -.0152 .1883 .0103 .0138 .0106 .0077 -.0045 .0006 |
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O2 .1845 .1593 .0821 .0052 .0065 .0081 -.0008 .0010 .0010 |
|
|
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|
| |
|
Ge2 Li O12 P3 |
| |
Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
| |
Journal of Solid State Chemistry 90 (1991) 185-193 |
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Structure and thermal expansion of LiGe2(PO4)3 |
|
_cod_database_code 1008511 |
|
_database_code_amcsd 0016404 |
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8.2722 8.2722 20.4825 90 90 120 R-3c |
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atom x y z occ |
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Li1 .025 0 0 .1667 |
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Ge1 0 0 .1412 |
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P1 .2867 0 .25 |
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O1 .1786 .98278 .1888 |
|
O2 .1849 .1595 .0829 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ge2 Li O12 P3 |
| |
Alami M, Brochu R, Soubeyroux J, Gravereau P, Le Flem G, Hagenmueller P |
| |
Journal of Solid State Chemistry 90 (1991) 185-193 |
|
Structure and thermal expansion of LiGe2(PO4)3 |
|
_cod_database_code 1008512 |
|
_database_code_amcsd 0016405 |
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8.2682 8.2682 20.494 90 90 120 R-3c |
|
atom x y z occ |
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Li1 .025 0 0 .1667 |
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Ge1 0 0 .1403 |
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P1 .288 0 .25 |
|
O1 .182 .985 .1894 |
|
O2 .186 .160 .0826 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Al Co F7 Na2 |
| |
Boireau A, Gravereau P, Dance J, Tressaud A, Hagenmuller P, Soubeyroux J, |
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Welsch M, Babel D |
| |
Materials Research Bulletin 28 (1993) 27-38 |
|
Structural and magnetic properties of several cobalt(II) weberites |
|
_cod_database_code 1008866 |
|
_database_code_amcsd 0016734 |
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12.378 7.210 24.019 90 99.67 90 C2/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 0 .0345 .0214 .0350 -.0030 -.0079 -.0124 |
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Na2 0 .5 0 .0277 .0442 .0453 .0063 .0159 .0183 |
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Na3 .25 .25 .5 .0549 .0432 .0656 .0188 .0299 .0227 |
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Na4 0 .7853 .25 .0387 .0268 .0478 0 .0201 0 |
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Na5 .2531 .0456 .25339 .0238 .0218 .0276 .0044 .0011 .0085 |
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Na6 .3732 .5089 .12145 .0317 .0474 .0142 .0017 -.0002 -.0104 |
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Co1 .37760 .01138 .12761 .0077 .0088 .0091 -.0001 .0016 -.0005 |
|
Co2 .12666 .26382 .12600 .0083 .0079 .0086 -.0004 .0022 .0000 |
|
Al1 .25 .25 0 .0091 .0111 .0051 -.0003 .0020 -.0009 |
|
Al2 0 .2522 .25 .0086 .0098 .0062 0 .0015 0 |
|
Al3 .1264 .7651 .12584 .0075 .0063 .0097 -.0010 .0012 .0003 |
|
F1 .3320 .0930 .0470 .0190 .0252 .0133 -.0058 .0004 -.0087 |
|
F2 .1497 .2767 .0454 .0178 .0254 .0145 -.0041 .0094 -.0032 |
|
F3 .3277 .4493 .0313 .0202 .0207 .0142 .0058 .0016 .0026 |
|
F4 .0775 .0751 .2907 .0185 .0175 .0133 -.0040 .0002 -.0050 |
|
F5 .1051 .2580 .2067 .0163 .0249 .0125 -.0013 .0080 -.0015 |
|
F6 .4242 -.0628 .2092 .0194 .0192 .0148 .0052 .0009 .0057 |
|
F7 .2618 -.1845 .1126 .0108 .0177 .0263 -.0046 .0056 -.0002 |
|
F8 .4917 .2118 .1401 .0118 .0170 .0262 .0046 .0055 .0005 |
|
F9 .1738 .5305 .1401 .0178 .0078 .0228 .0005 .0012 .0008 |
|
F10 .0877 .7210 .0511 .0216 .0182 .0136 -.0039 -.0014 -.0037 |
|
F11 .0783 -.0015 .1115 .0182 .0083 .0220 .0016 .0010 .0019 |
|
F12 .1652 .8109 .2008 .0191 .0153 .0130 .0004 -.0010 -.0021 |
|
F13 -.0296 .3255 .0948 .0110 .0179 .0193 .0046 .0028 -.0019 |
|
F14 .2827 .1996 .1582 .0120 .0164 .0193 -.0034 .0027 .0029 |
|
|
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|
| |
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