Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G17
Locality: Madagascar
_database_code_amcsd 0004348
10.3250 10.9575 5.7600 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09183 .21910 .25 .976 .0068 .0081 .0061 .0062 -.0013 0 0
Fe .09183 .21910 .25 .024 .0068 .0081 .0061 .0062 -.0013 0 0
Al1 0 0 0 .0052 .0056 .0050 .0050 .0001 -.0002 .0000
Al2 .5 0 0 .0055 .0047 .0065 .0052 -.0001 .0002 .0005
Al3 .22634 .44791 .25 .0053 .0048 .0056 .0055 -.0003 0 0
B .2512 .0003 .75 .0072 .0081 .0061 .0074 .0001 0 0
Si .43356 .26330 .25 .0056 .0062 .0047 .0058 .0000 0 0
O1 .2750 .2882 .25 .0084 .0068 .0060 .0124 -.0000 0 0
O2 .1186 .0224 .25 .0061 .0057 .0064 .0061 .0000 0 0
O3 .1210 -.0035 .75 .0067 .0053 .0091 .0058 .0002 0 0
O4 .4738 .1199 .25 .0072 .0100 .0054 .0063 .0010 0 0
O5 .5465 .1002 .75 .0061 .0060 .0060 .0061 -.0005 0 0
O6 -.00731 .17099 -.0227 .0075 .0098 .0056 .0071 .0002 -.0016 .0004
O7 .18068 .50112 -.0452 .0079 .0058 .0118 .0059 .0000 .0001 .0008
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Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G8
Locality: Long Lake, Larsemann Hills, Antarctica
_database_code_amcsd 0004349
10.3330 10.9858 5.7667 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09262 .21906 .25 .874 .0068 .0079 .0065 .0062 -.0013 0 0
Fe .09262 .21906 .25 .126 .0068 .0079 .0065 .0062 -.0013 0 0
Al1 0 0 0 .0053 .0055 .0057 .0047 .0001 -.0002 .0001
Al2 .5 0 0 .0054 .0046 .0068 .0048 -.0002 .0003 .0005
Al3 .22643 .44799 .25 .0050 .0043 .0060 .0048 -.0004 0 0
B .2512 .0004 .75 .0079 .0077 .008 .0074 .0005 0 0
Si .43370 .26325 .25 .0054 .0059 .0050 .0053 -.0000 0 0
O1 .2756 .2883 .25 .0088 .0065 .0078 .0122 .0000 0 0
O2 .1183 .0222 .25 .0067 .0062 .0080 .0059 -.0002 0 0
O3 .1211 -.0033 .75 .0071 .0055 .0100 .0058 .0002 0 0
O4 .4738 .1202 .25 .0077 .0099 .0063 .0071 .0010 0 0
O5 .5465 .0999 .75 .0065 .0066 .0068 .0061 -.0003 0 0
O6 -.00756 .17090 -.0227 .0078 .0099 .0064 .0070 .0002 -.0015 .0004
O7 .18059 .50118 -.0452 .0084 .0060 .0129 .0062 .0001 .0001 .0008
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Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G4
Locality: Sahakondra, Ampamatoa, Madagascar
_database_code_amcsd 0004350
10.3317 10.9904 5.7634 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09292 .21903 .25 .818 .0103 .0124 .0101 .0085 -.0017 0 0
Fe .09292 .21903 .25 .182 .0103 .0124 .0101 .0085 -.0017 0 0
Al1 0 0 0 .0078 .0085 .0084 .0064 .0002 .0001 .0000
Al2 .5 0 0 .0080 .0078 .0096 .0066 -.0001 .0002 .0005
Al3 .22643 .44795 .25 .0084 .0081 .0097 .0073 -.0002 0 0
B .2512 .0003 .75 .0099 .011 .010 .009 .0008 0 0
Si .43376 .26334 .25 .0085 .0096 .0082 .0076 -.0002 0 0
O1 .2755 .2888 .25 .0113 .0100 .0095 .0143 -.0001 0 0
O2 .1184 .0216 .25 .0090 .0086 .0107 .0075 -.0001 0 0
O3 .1212 -.0036 .75 .0094 .0087 .0121 .0075 .0003 0 0
O4 .4739 .1201 .25 .0101 .0127 .0091 .0085 .0010 0 0
O5 .5463 .0997 .75 .0089 .0094 .0092 .0080 -.0004 0 0
O6 -.00720 .1708 -.0225 .0102 .0129 .0084 .0094 .0003 -.0018 .0003
O7 .1807 .50117 -.0453 .0107 .0089 .0151 .0079 .0005 .0002 .0010
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Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G12
Locality: Zimbabwe
_database_code_amcsd 0004351
10.3347 11.0034 5.7627 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09348 .21897 .25 .726 .0081 .0097 .0077 .0069 -.0017 0 0
Fe .09348 .21897 .25 .274 .0081 .0097 .0077 .0069 -.0017 0 0
Al1 0 0 0 .0060 .0064 .0065 .0049 .0002 -.0000 -.0001
Al2 .5 0 0 .0060 .0056 .0076 .0047 -.0000 .0002 .0005
Al3 .22641 .44796 .25 .0060 .0057 .0071 .0053 .0000 0 0
B .2510 .0002 .75 .0080 .008 .009 .007 .0001 0 0
Si .43394 .26340 .25 .0062 .0071 .0060 .0055 -.0001 0 0
O1 .2758 .2892 .25 .0093 .0074 .0075 .0129 -.0001 0 0
O2 .1183 .0214 .25 .0069 .0072 .0080 .0054 .0001 0 0
O3 .1209 -.0037 .75 .0075 .0063 .0102 .0061 .0005 0 0
O4 .4738 .1203 .25 .0079 .0104 .0072 .0064 .0009 0 0
O5 .5464 .0992 .75 .0069 .0072 .0073 .0061 -.0002 0 0
O6 -.00728 .1707 -.0228 .0084 .0107 .0068 .0076 .0004 -.0015 .0002
O7 .1807 .50113 -.0455 .0087 .0067 .0133 .0060 .0001 .0001 .0010
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Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G1
Locality: Karibe area, Zimbabwe
_database_code_amcsd 0004352
10.3360 11.0148 5.7657 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09387 .21896 .25 .666 .0066 .0078 .0062 .0059 -.0015 0 0
Fe .09387 .21896 .25 .334 .0066 .0078 .0062 .0059 -.0015 0 0
Al1 0 0 0 .0048 .0050 .0055 .0039 .0001 -.0002 .0001
Al2 .5 0 0 .0050 .0041 .0069 .0040 -.0001 .0003 .0006
Al3 .22643 .44807 .25 .0048 .0040 .0061 .0042 -.0003 0 0
B .2512 .0003 .75 .0066 .0070 .0068 .0059 .0007 0 0
Si .43406 .26339 .25 .0048 .0052 .0047 .0045 -.0000 0 0
O1 .2761 .2891 .25 .0083 .0057 .0077 .0115 -.0001 0 0
O2 .1182 .0214 .25 .0059 .0052 .0077 .0046 .0007 0 0
O3 .1210 -.0036 .75 .0064 .0044 .0100 .0049 -.0001 0 0
O4 .4739 .1205 .25 .0067 .0089 .0058 .0055 .0011 0 0
O5 .5465 .0988 .75 .0060 .0059 .0066 .0053 -.0005 0 0
O6 -.00724 .17053 -.0228 .0073 .0096 .0063 .0059 -.0001 -.0018 .0003
O7 .18054 .50112 -.0452 .0077 .0053 .0128 .0050 .0004 .0002 .0007
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Grandidierite
Dzikowski T J, Groat L A, Grew E S
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G2
Locality: Andrahomana, Madagascar
_database_code_amcsd 0004353
10.3403 11.0332 5.7655 90 90 90 Pbnm
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg .09438 .21894 .25 .550 .0071 .0083 .0065 .0066 -.0016 0 0
Fe .09438 .21894 .25 .450 .0071 .0083 .0065 .0066 -.0016 0 0
Al1 0 0 0 .0052 .0053 .0058 .0046 .0002 -.0001 .0000
Al2 .5 0 0 .0055 .0044 .0072 .0048 -.0002 .0001 .0006
Al3 .22648 .44810 .25 .0052 .0042 .0064 .0050 -.0003 0 0
B .2512 .0002 .75 .0072 .0073 .0069 .0074 .0005 0 0
Si .43423 .26343 .25 .0053 .0057 .0049 .0053 .0001 0 0
O1 .2763 .28964 .25 .0087 .0059 .0077 .01256 -.0001 0 0
O2 .1182 .02087 .25 .0061 .0055 .0075 .0054 .0006 0 0
O3 .1210 -.00373 .75 .0068 .0054 .0098 .0053 .0002 0 0
O4 .4738 .12070 .25 .0073 .0090 .0063 .0065 .0007 0 0
O5 .54644 .09836 .75 .0061 .0065 .0062 .0058 -.0003 0 0
O6 -.00717 .17034 -.0231 .0079 .0099 .0064 .0073 .0002 -.0018 .0003
O7 .18067 .50109 -.0454 .0082 .0059 .0126 .0060 .0002 .0000 .0006
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Grandidierite
Stephenson D A, Moore P B
Acta Crystallographica B24 (1968) 1518-1522
The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
Locality: Fort Dauphin, Madagascar
_database_code_amcsd 0009346
10.335 10.978 5.760 90 90 90 Pbnm
atom x y z occ Biso
Mg .0933 .2188 .25 .90 .53
Fe .0933 .2188 .25 .10 .53
All 0 0 0 .39
Al2 .5 0 0 .39
Al3 .2262 .4478 .25 .33
Si .4339 .2633 .25 .27
B .2508 .0003 .75 .30
O1 .2760 .2881 .25 .35
O2 .1187 .0218 .25 .62
O3 .1217 -.0036 .75 .57
O4 .4737 .1211 .25 .33
O5 .5460 .0992 .75 .47
O6 -.0077 .1703 -.0239 .53
O7 .1804 .5019 -.0462 .62
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