Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 100 K
_database_code_amcsd 0001104
12.5389 12.5389 12.5389 90 90 90 Ia-3d
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .125 0 .25 .00134 .00088 .00088 0 0 -.00001
Al 0 0 0 .00050 .0005 .0005 -.00013 -.00013 -.00013
O .0284 .0525 .6401 .00082 .00121 .00084 -.00010 -.00023 -.00024
D .1521 .0899 .7995 .00211 .00497 .00820 -.00196 -.00175 .00262
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Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 200 K
_database_code_amcsd 0001105
12.5530 12.5530 12.5530 90 90 90 Ia-3d
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .125 0 .25 .00142 .00117 .00117 0 0 0
Al 0 0 0 .00074 .00074 .00074 -.00016 -.00016 -.00016
O .0284 .0523 .6399 .00105 .00144 .00107 -.00008 -.00019 -.00020
D .1523 .0904 .7986 .00222 .00519 .00890 -.00215 -.00149 .00235
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Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K
_database_code_amcsd 0001106
12.5695 12.5695 12.5695 90 90 90 Ia-3d
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .125 0 .25 .00172 .00149 .00149 0 0 -.00029
Al 0 0 0 .00094 .00094 .00094 -.00080 -.00080 -.00080
O .0288 .0522 .6402 .00197 .00183 .00120 -.00019 -.00004 -.00063
D .1517 .0913 .7985 .00293 .00635 .01098 -.00268 -.00165 .00249
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Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K, X-ray 1, with H
_database_code_amcsd 0001107
12.565 12.565 12.565 90 90 90 Ia-3d
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .125 0 .25 .00169 .00115 .00114 0 0 .00023
Al 0 0 0 .00103 .00103 .00103 -.00016 -.00016 -.00016
O .02797 .05260 .63958 .00166 .00193 .00139 -.00025 -.00042 -.00037
H .1723 .0931 .7989 .00522 .00421 .00717 .00355 .00413 .00490
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Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 300 K, X-ray 2, without H
_database_code_amcsd 0001108
12.565 12.565 12.565 90 90 90 Ia-3d
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca .125 0 .25 .00171 .00114 .00114 0 0 .00032
Al 0 0 0 .00106 .00106 .00106 -.00008 -.00008 -.00008
OH .0286 .0528 .6398 .00185 .00181 .00129 -.00030 -.00012 -.00045
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Hydrogarnet
Schropfer L, Bartl H
European Journal of Mineralogy 5 (1993) 1133-1144
Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12
Sample: specimen C12A7H15, intermediate phase resulting from the
decomposition of hydrogarnet. Ca12Al14O33(H2O)15
_database_code_amcsd 0006504
12.374 12.374 12.374 90 90 90 Ia-3d
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 1/4 1/8 .048 .048 .048 0 .000 0
Al1 0 0 0 .057 .057 .057 .000 .000 .000
Al2 -1/8 0 1/4 .5 .04 .045 .045 .000 .000 .000
O -.0320 .0518 .1419 .6875 .065 .052 .062 .001 -.016 -.006
Wat -.0320 .0518 .1419 .3125 .065 .052 .062 .001 -.016 -.006
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Hydrogarnet
Schropfer L, Bartl H
European Journal of Mineralogy 5 (1993) 1133-1144
Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12
Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks.
_database_code_amcsd 0006505
12.458 12.458 12.458 90 90 90 Ia-3d
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 1/4 1/8 .025 .025 .029 .004 0 0
Al1 0 0 0 .030 .030 .030 0 0 0
Al2 -1/8 0 1/4 .283 .012 .032 .032 0 0 0
O -.0295 .0522 .1406 .031 .029 .034 .002 -.002 .001
H -.082 .048 .166 .800 .04
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Hydrogarnet
Cohen-Addad C, Ducros P, Durif A, Bertaut E, Delapalme A
Journal de Physique 25 (1964) 478-483
Determination de la position des atomes d'hydrogene dans l'hydrogrinat
Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et
diffraction neutronique
_cod_database_code 1007235
_database_code_amcsd 0015917
12.57 12.57 12.57 90 90 90 Ia3d
atom x y z
Al1 0 0 0
Ca1 .125 0 .25
O1 .024 .054 .636
H1 .142 .081 .806
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