American Mineralogist Crystal Structure Database

21 matching records for this search.

LiFeSi2O6
 
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W,
Amthauer G, Treutmann W, Koppelhuber-Bitschnau B
 
Physics and Chemistry of Minerals 28 (2001) 337-346
The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
a temperature-dependent study
Sample: T = 100 K
Pyroxene
_database_code_amcsd 0008554
9.6223 8.6638 5.2655 90 109.95 90 P2_1/c
atom      x      y      z  Uiso
Li    .2504  .0090  .2367 .0009
Fe   .25022 .64788 .23528 .0006
SiA  .04779 .33899  .2776 .0007
SiB  .54862 .83874  .2527 .0007
O1A   .8673  .3327  .1636 .0023
O1B   .3674  .8347  .1351 .0022
O2A   .1160  .5086  .3123 .0032
O2B   .6215  .0032  .3537 .0033
O3A   .1085  .2667  .5821 .0030
O3B   .6050  .7232  .5120 .0028
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LiFeSi2O6
 
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W,
Amthauer G, Treutmann W, Koppelhuber-Bitschnau B
 
Physics and Chemistry of Minerals 28 (2001) 337-346
The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
a temperature-dependent study
Sample: T = 200 K
Pyroxene
_database_code_amcsd 0008555
9.635 8.665 5.275 90 110.0 90 P2_1/c
atom      x      y      z  Uiso
Li    .2505  .0097  .2395 .0072
Fe   .25020 .64794 .23841 .0013
SiA  .04739 .33888 .27481 .0013
SiB  .54760 .83922 .25575 .0011
O1A   .8668  .3331  .1602 .0025
O1B   .3668  .8350  .1384 .0027
O2A   .1158  .5087  .3145 .0047
O2B   .6199  .0052  .3473 .0044
O3A   .1080  .2637  .5775 .0042
O3B   .6049  .7298  .5219 .0045
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LiFeSi2O6
 
Redhammer G J, Roth G, Paulus W, Andre G, Lottermoser W,
Amthauer G, Treutmann W, Koppelhuber-Bitschnau B
 
Physics and Chemistry of Minerals 28 (2001) 337-346
The crystal and magnetic structure of Li-aegirine LiFeSi2O6:
a temperature-dependent study
Sample: T = 298 K
Pyroxene
_database_code_amcsd 0008556
9.684 8.661 5.292 90 110.12 90 C2/c
atom      x      y      z  Uiso
Li        0  .2624    .25 .0106
Fe        0 .89832    .25 .0029
Si   .29616 .08948 .26580 .0012
O1    .1159  .0848  .1496 .0057
O2    .3665  .2585  .3255 .0092
O3    .3557 -.0011  .0549 .0098
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Ge6 Mn6 Tm
 
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 113-120
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
_cod_database_code 1006092
_database_code_amcsd 0012768
5.2067 5.2067 8.1431 90 90 120 P6/mmm
atom   x   y    z
Tm1    0   0    0
Mn1   .5   0 .249
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .346
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Ge6 Mn6 Tm
 
Schobinger -, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 113-120
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
_cod_database_code 1006093
_database_code_amcsd 0012769
5.2110 5.2110 8.1397 90 90 120 P6/mmm
atom   x   y     z
Tm1    0   0     0
Mn1   .5   0  .249
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3487
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006094
_database_code_amcsd 0012770
5.1993 5.1993 8.1165 90 90 120 P6/mmm
atom   x   y     z
Lu1    0   0     0
Mn1   .5   0 .2486
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3404
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006095
_database_code_amcsd 0012771
5.2002 5.2002 8.1169 90 90 120 P6/mmm
atom   x   y     z
Lu1    0   0     0
Mn1   .5   0 .2489
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3423
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Ge6 Lu Mn6
 
Schobinger-Papamantellos P, Andre G, Rodriguez-Carvajal J, Brabers J, Buschow K
 
Journal of Alloys and Compounds 226 (1995) 152-154
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
_cod_database_code 1006096
_database_code_amcsd 0012772
5.2076 5.2076 8.1285 90 90 120 P6/mmm
atom   x   y    z
Lu1    0   0    0
Mn1   .5   0 .248
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .344
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Cr Dy Ge6 Mn5
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006144
_database_code_amcsd 0012801
5.2187 5.2187 8.1865 90 90 120 P6/mmm
atom   x   y     z   occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3469
Mn1   .5   0 .2520 .8333
Cr1   .5   0 .2520 .1667
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Cr1.5 Dy Ge6 Mn4.5
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006145
_database_code_amcsd 0012802
5.2155 5.2155 8.2018 90 90 120 P6/mmm
atom   x   y     z occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3472
Mn1   .5   0  .255 .75
Cr1   .5   0  .255 .25
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Cr2 Dy Ge6 Mn4
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006146
_database_code_amcsd 0012803
5.2101 5.2101 8.2102 90 90 120 P6/mmm
atom   x   y     z  occ
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3479
Mn1   .5   0  .253 .667
Cr1   .5   0  .253 .333
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Cr4 Dy Ge6 Mn2
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006147
_database_code_amcsd 0012804
5.185 5.185 8.252 90 90 120 P6/mmm
atom   x   y    z  occ
Dy1    0   0    0
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .348
Mn1   .5   0 .251 .333
Cr1   .5   0 .251 .667
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Cr5 Dy Ge5.9 Mn
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006148
_database_code_amcsd 0012805
5.169 5.169 8.263 90 90 120 P6/mmm
atom   x   y    z   occ
Dy1    0   0    0
Ge1  1/3 2/3   .5
Ge2  1/3 2/3    0
Ge3    0   0 .329   .95
Mn1   .5   0 .253 .1667
Cr1   .5   0 .253 .8333
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Dy Ge6 Mn6
 
Schobinger-Papamantellos P, Rodriguez-Carvajal J, Andre G, Buschow K
 
Journal of Alloys and Compounds 265 (1998) 56-60
A neutron diffraction study of magnetic ordering in Dy Mn6-x Crx Ge6
compounds
_cod_database_code 1006149
_database_code_amcsd 0012806
5.2256 5.2256 8.1646 90 90 120 P6/mmm
atom   x   y     z
Dy1    0   0     0
Ge1  1/3 2/3    .5
Ge2  1/3 2/3     0
Ge3    0   0 .3454
Mn1   .5   0 .2501
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Stolzite
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Chipaux R, Andre G, Cousson A
 
Journal of Alloys and Compounds 325 (2001) 91-94
Crystal structure of lead tungstate at 1.4 and 300 K
Sample: .Top. at T = 290 K
Note: Scheelite structure
Locality: synthetic
_database_code_amcsd 0012824
5.46979 5.46979 12.06339 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z
Pb        0   .250   .625
W         0   .250   .125
O    .23170 .11220 .04300
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Stolzite
Download hom/stolzite.pdf
Chipaux R, Andre G, Cousson A
 
Journal of Alloys and Compounds 325 (2001) 91-94
Crystal structure of lead tungstate at 1.4 and 300 K
Sample: Bottom, T = 290 K
Note: Scheelite structure
Locality: synthetic
_database_code_amcsd 0012825
5.46462 5.46462 12.04787 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z
Pb        0   .250   .625
W         0   .250   .125
O    .23168 .11200 .04324
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Stolzite
Download hom/stolzite.pdf
Chipaux R, Andre G, Cousson A
 
Journal of Alloys and Compounds 325 (2001) 91-94
Crystal structure of lead tungstate at 1.4 and 300 K
Sample: Yellow, T = 290 K
Locality: synthetic
Note: Scheelite structure
_database_code_amcsd 0012826
5.43241 5.43241 12.04817 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z
Pb        0   .250   .625
W         0   .250   .125
O    .23416 .10844 .04083
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Stolzite
Download hom/stolzite.pdf
Chipaux R, Andre G, Cousson A
 
Journal of Alloys and Compounds 325 (2001) 91-94
Crystal structure of lead tungstate at 1.4 and 300 K
Sample: Top, T = 1.4 K
Locality: synthetic
Note: Scheelite structure
_database_code_amcsd 0012827
5.45961 5.45961 12.00222 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z
Pb        0   .250   .625
W         0   .250   .125
O    .23109 .11017 .04326
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Stolzite
Download hom/stolzite.pdf
Chipaux R, Andre G, Cousson A
 
Journal of Alloys and Compounds 325 (2001) 91-94
Crystal structure of lead tungstate at 1.4 and 300 K
Sample: Bottom, T = 1.4 K
Locality: synthetic
Note: Scheelite structure
_database_code_amcsd 0012828
5.45565 5.45565 11.9923 90 90 90 *I4_1/a
0 .25 .125
atom      x      y      z
Pb        0   .250   .625
W         0   .250   .125
O    .23102 .11004 .04248
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Fe6 Ge6 Tb
 
Schobinger-Papamantellos P, Oleksyn O, Rodriguez-Carvajal J, Andre G, Brueck E, Buschow K
 
Journal of Magnetism and Magnetic Materials 182 (1998) 96-110
Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6
studied by X-ray, neutron diffraction and magnetic measurement (I).
_cod_database_code 1006165
_database_code_amcsd 0013066
8.1293 17.73192 5.11877 90 90 90 Cmcm
atom     x     y   z occ
Tb1      0  .122 .25 .89
Tb2     .5  .128 .25 .11
Ge1      0  .039 .75
Ge2     .5  .044 .75
Ge3      0  .208 .75
Ge4     .5 .2027 .75
Ge5  .3475 .1257 .25 .89
Ge6  .8475 .1243 .25 .11
Fe1    .25   .25   0
Fe2  .2509     0   0
Fe3  .2509 .1233 .75
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Antlerite
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Vilminot S, Richard-Plouet M, Andre G, Swierczynski D, Guillot M, Bouree-Vigneron F, Drillon M
 
Journal of Solid State Chemistry 170 (2003) 255-264
Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2,
_database_code_amcsd 0014031
8.289 6.079 12.057 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)
Cu1  .00472    .25 .00129 .0093  .0131  .0100  .0101      0 -.0034      0
Cu2  .28997 .00288 .12592 .0095  .0109  .0111  .0115 -.0003 -.0022  .0012
S    .13039    .25 .36422 .0078  .0091  .0119  .0074      0 -.0002      0
O1    .2616    .25  .2829 .0124  .0127  .0210  .0147      0  .0039      0
O2    .1984    .25  .4775 .0147  .0234  .0217  .0099      0 -.0061      0
O3    .0313  .0480  .3483 .0131  .0127  .0151  .0198 -.0028  .0022 -.0021
Oh1   .2807    .25  .0250 .0096  .0159  .0137  .0096      0 -.0006      0
Oh2   .7012    .25  .7782 .0110  .0165  .0132  .0091      0  .0019      0
Oh3   .0464  .5067  .1017 .0098  .0118  .0154  .0085 -.0010  .0009  .0003
H1     .362    .25   .978 .0713
H2     .274    .25   .768 .1700
H3     .512   .032   .664 .1712
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Total number of retrieved datasets: 21
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