Dear Bruce,
the ICSD contains the following 4 entries:
COL ICSD Collection Code 20778
DATE Recorded Nov 20, 1984; updated Jun 26, 1998
NAME Dipotassium pentacalcium sulfate hydrate
MINR Goergeyite - from Inder Mine, USSR
FORM K2 Ca5 (S O4)6 H2 O
= H2 Ca5 K2 O25 S6
TITL The crystal structure of Gergeite K2 Ca5 (S O4)6 H2 O
REF Doklady Akademii Nauk SSSR
DANKA 252 (1980) 102-105
AUT Mukhtarova N N, Kalinin˙V˙R, Rastsvetaeva˙R˙K,
Ilyukhin˙V˙V,
Belov˙N˙V
CELL a=17.519(8) b=18.252(2) c=6.840(1) à=90.0 á=90.0
ç=113.3(0)
V=2008.3 D=2.89 Z=4
SGR B 1 1 2/b (15) - monoclinic
CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies)
PRS mB160
ANX A2B5C6X25
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ca 1 2.000 8f 0.14857(4) 0.48314(4) 0.42274(10)
Ca 2 2.000 8f 0.28210(4) 0.20681(4) 0.37465(10)
Ca 3 2.000 4e 1/2 1/4 0.08789(14)
K 1 1.000 8f 0.06662(5) 0.08944(6) 0.10865(13)
S 1 6.000 8f 0.36792(5) 0.08811(5) 0.41503(11)
S 2 6.000 8f 0.42453(5) 0.38308(4) 0.09998(11)
S 3 6.000 8f 0.21580(4) 0.34618(4) 0.38849(11)
O 1 -2.000 8f 0.10118(11) 0.42389(11) 0.1067(3)
O 2 -2.000 8f 0.13631(10) 0.34132(11) 0.4722(3)
O 3 -2.000 8f 0.41207(10) 0.17381(10) 0.3614(3)
O 4 -2.000 8f 0.38070(11) 0.03539(11) 0.2693(3)
O 5 -2.000 8f 0.27828(10) 0.07444(11) 0.4247(3)
O 6 -2.000 8f 0.20250(11) 0.28060(11) 0.2256(3)
O 7 -2.000 8f 0.26207(11) 0.42879(10) 0.3288(3)
O 8 -2.000 8f 0.39780(11) 0.31376(11) 0.2344(3)
O 9 -2.000 8f 0.14414(10) 0.12189(11) 0.4669(3)
O 10 -2.000 8f 0.23774(11) 0.17762(11) 0.0397(3)
O 11 -2.000 8f 0.44686(11) 0.45739(11) 0.2109(3)
O 12 -2.000 8f 0.00564(11) 0.11918(11) 0.4841(3)
OH2 13 -2.000 4e 0. 1/4 0.2308(5)
H 1 1.000 8f 8 Atoms not located in Unit Cell
WYCK f18 e2
ITF Ca 1 B=0.57(2)
ITF Ca 2 B=0.59(2)
ITF Ca 3 B=0.63(3)
ITF K 1 B=1.70(3)
ITF S 1 B=0.54(3)
ITF S 2 B=0.52(3)
ITF S 3 B=0.50(3)
ITF O 1 B=1.13(9)
ITF O 2 B=1.07(9)
ITF O 3 B=1.10(9)
ITF O 4 B=1.05(8)
ITF O 5 B=0.94(7)
ITF O 6 B=1.14(7)
ITF O 7 B=0.99(7)
ITF O 8 B=1.12(8)
ITF O 9 B=1.01(8)
ITF O 10 B=0.99(7)
ITF O 11 B=1.24(6)
ITF O 12 B=1.00(6)
ITF O 13 B=2.48(11)
REM M PDF 18-997
REM M R(isotropic)=0.06
RVAL 0.026
TEST Calculated density unusual but tolerable. (Code 23)
COL ICSD Collection Code 30790
DATE Recorded Nov 6, 1984; updated Jun 26, 1998
NAME Pentacalcium dipotassium sulfate hydrate
MINR Goergeyite - from Astakos, W. Greece
FORM K2 S O4 (Ca S O4)5 H2 O
= H2 Ca5 K2 O25 S6
TITL The crystal structure of Goergeyite K2 S O4 * 5 Ca S O4 *
H2 O
REF Zeitschrift fuer Kristallographie (149,1979-)
ZEKRD 151 (1980) 49-60
AUT Smith G W, Walls˙R
CELL a=17.510(10) b=6.822(5) c=18.210(10) à=90.0 á=113.3(1)
ç=90.0
V=1997.8 D=2.91(1) Z=4
SGR C 1 2/c 1 (15) - monoclinic
CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies)
PRS mC160
ANX A2B5C6X25
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ca 1 2.000 4e 0. 0.0881(4) 3/4
Ca 2 2.000 8f 0.1487(1) 0.0767(3) 0.4831(1)
Ca 3 2.000 8f 0.2824(1) 0.1261(3) 0.2068(1)
K 1 1.000 8f 0.4330(1) 0.1082(4) 0.9104(1)
S 1 6.000 8f 0.0756(1) 0.0999(4) 0.6170(1)
S 2 6.000 8f 0.2157(1) 0.1129(3) 0.3461(1)
S 3 6.000 8f 0.3682(1) 0.0839(4) 0.0885(1)
O 1 -2.000 8f 0.1445(4) -0.0324(10) 0.6224(3)
O 2 -2.000 8f 0.0530(4) 0.2130(11) 0.5427(4)
O 3 -2.000 8f 0.1015(4) 0.2323(11) 0.6854(4)
O 4 -2.000 8f 0.0060(4) -0.0190(11) 0.6195(4)
O 5 -2.000 8f 0.2641(3) -0.0421(10) 0.3224(3)
O 6 -2.000 8f 0.1365(4) 0.0300(11) 0.3415(4)
O 7 -2.000 8f 0.2037(3) 0.2784(11) 0.2904(3)
O 8 -2.000 8f 0.2619(3) 0.1686(11) 0.4284(3)
O 9 -2.000 8f 0.3991(4) -0.1086(11) 0.0764(4)
O 10 -2.000 8f 0.2801(3) 0.0762(10) 0.0749(3)
O 11 -2.000 8f 0.4119(3) 0.1391(10) 0.1736(3)
O 12 -2.000 8f 0.3814(3) 0.2329(10) 0.0366(3)
OH2 13 -2.000 4e 1/2 0.2264(20) 3/4
H 1 1.000 8f 8 Atoms not located in Unit Cell
WYCK f18 e2
ITF O 1 B=0.89(10)
ITF O 2 B=1.27(11)
ITF O 3 B=0.99(10)
ITF O 4 B=1.0(1)
ITF O 5 B=0.83(10)
ITF O 6 B=0.96(10)
ITF O 7 B=0.85(9)
ITF O 8 B=0.93(10)
ITF O 9 B=1.25(10)
ITF O 10 B=0.79(9)
ITF O 11 B=0.82(10)
ITF O 12 B=0.59(10)
ITF O 13 B=2.80(22)
˙
TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3)
Ca 1 0.0001 0.0032 0.0005 0.0000 -0.0001 0.0000
(1) (8) (1) (1)
Ca 2 0.0002 0.0017 0.0005 0.0007 0.0000 0.0007
(0) (5) (0) (2) (1) (2)
Ca 3 0.0002 0.0017 0.0004 0.0005 -0.0001 0.0002
(0) (5) (0) (2) (1) (2)
K 1 0.0008 0.0051 0.0019 0.0007 -0.0000 -0.0005
(1) (7) (1) (3) (1) (3)
S 1 0.0001 0.0060 0.0007 -0.0006 -0.0000 -0.0006
(1) (7) (1) (3) (1) (3)
S 2 0.0003 0.0011 0.0003 -0.0003 0.0000 0.0002
(1) (6) (0) (3) (1) (3)
S 3 0.0003 0.0032 0.0003 -0.0001 -0.0004 0.0003
(1) (7) (1) (3) (1) (3)
REM M PDF 18-997. y(O12) was misprinted as .3229
RVAL 0.096
TEST Calculated density unusual but tolerable. (Code 23)
COL ICSD Collection Code 100281
DATE Recorded Dec 31, 1980; updated Jun 26, 1998
NAME Pentacalcium dipotassium hexakis(sulfate) hydrate
MINR Goergeyite - from Astakos, W. Greece
FORM Ca5 K2 (S O4)6 (H2 O)
= H2 Ca5 K2 O25 S6
TITL The crystal structure of Goergeyite K2 (S O4)(Ca (S O4))5
(H2 0)
REF Zeitschrift fuer Kristallographie (149,1979-)
ZEKRD 151 (1980) 49-60
AUT Smith G W, Walls˙R
CELL a=17.510(10) b=6.822(5) c=18.210(10) à=90.0 á=113.3(1)
ç=90.0
V=1997.8 D=2.91(1) Z=4
SGR C 1 2/c 1 (15) - monoclinic
CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies)
PRS mC160
ANX A2B5C6X25
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ca 1 2.000 4e 0. 0.0881(4) 3/4
Ca 2 2.000 8f 0.1487(1) 0.0767(3) 0.4831(1)
Ca 3 2.000 8f 0.2824(1) 0.1261(3) 0.2068(1)
K 1 1.000 8f 0.4330(1) 0.1082(4) 0.9104(1)
S 1 6.000 8f 0.0756(1) 0.0999(4) 0.6170(1)
S 2 6.000 8f 0.2157(1) 0.1129(3) 0.3461(1)
S 3 6.000 8f 0.3682(1) 0.0839(4) 0.0885(1)
O 1 -2.000 8f 0.1445(4) -0.0324(10) 0.6224(3)
O 2 -2.000 8f 0.0530(4) 0.2130(11) 0.5427(4)
O 3 -2.000 8f 0.1015(4) 0.2323(11) 0.6854(4)
O 4 -2.000 8f 0.0060(4) -0.0190(11) 0.6195(4)
O 5 -2.000 8f 0.2641(3) -0.0421(10) 0.3224(3)
O 6 -2.000 8f 0.1365(4) 0.0300(11) 0.3415(4)
O 7 -2.000 8f 0.2037(3) 0.2784(11) 0.2904(3)
O 8 -2.000 8f 0.2619(3) 0.1686(11) 0.4284(3)
O 9 -2.000 8f 0.3991(4) -0.1086(11) 0.0764(4)
O 10 -2.000 8f 0.2801(3) 0.0762(10) 0.0749(3)
O 11 -2.000 8f 0.4119(3) 0.1391(10) 0.1736(3)
O 12 -2.000 8f 0.3814(3) 0.2329(10) 0.0366(3)
OH2 13 -2.000 4e 1/2 0.2264(20) 3/4
H 1 1.000 8f 8 Atoms not located in Unit Cell
WYCK f18 e2
ITF O 1 B=0.89
ITF O 2 B=1.27
ITF O 3 B=0.99
ITF O 4 B=1.
ITF O 5 B=0.83
ITF O 6 B=0.96
ITF O 7 B=0.85
ITF O 8 B=0.93
ITF O 9 B=1.25
ITF O 10 B=0.79
ITF O 11 B=0.82
ITF O 12 B=0.59
ITF O 13 B=2.8
˙
TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3)
Ca 1 0.0001 0.0032 0.0005 0.0000 -0.0001 0.0000
(1) (8) (1) (1)
Ca 2 0.0002 0.0017 0.0005 0.0007 0.0000 0.0007
(0) (5) (0) (2) (1) (2)
Ca 3 0.0002 0.0017 0.0004 0.0002 -0.0001 0.0005
(0) (5) (0) (2) (1) (2)
K 1 0.0008 0.0051 0.0019 -0.0005 -0.0000 0.0007
(1) (7) (1) (3) (1) (3)
S 1 0.0001 0.0060 0.0007 -0.0006 -0.0000 -0.0006
(1) (7) (1) (3) (1) (3)
S 2 0.0003 0.0011 0.0003 0.0002 0.0000 -0.0003
(1) (6) (0) (3) (1) (3)
S 3 0.0003 0.0032 0.0003 0.0003 -0.0004 -0.0001
(1) (7) (1) (3) (1) (3)
REM M y(O12) was misprinted as .3229
REM M = 30790
RVAL 0.096
COL ICSD Collection Code 200801
DATE Recorded Dec 31, 1980; updated Jun 26, 1998
NAME Dipotassium pentacalcium hexakis(sulfate(V)) hydrate
MINR Goergeyite
FORM K2 Ca5 (S O4)6 (H2 O)
= H2 Ca5 K2 O25 S6
TITL Crystal structure of gorgeyite K2 Ca5 (S O4)6 (H2 O)
REF Doklady Akademii Nauk SSSR
DANKA 252 (1980) 102-105
AUT Mukhtarova N N, Kalinin˙V˙R, Rastsvetaeva˙R˙K,
Ilyukhin˙V˙V,
Belov˙N˙V
CELL a=17.519(8) b=18.252(2) c=6.840(1) à=90.0 á=90.0
ç=113.3(0)
V=2008.3 D=2.93 Z=4
SGR B 1 1 2/b (15) - monoclinic
CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies)
PRS mB160
ANX A2B5C6X25
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Ca 1 2.000 8f 0.14857(4) 0.48314(4) 0.42274(10)
Ca 2 2.000 8f 0.28210(4) 0.20681(4) 0.37465(10)
Ca 3 2.000 4e 1/2 1/4 0.08789(14)
K 1 1.000 8f 0.06662(5) 0.08944(6) 0.10865(13)
S 1 6.000 8f 0.36792(5) 0.08811(5) 0.41503(11)
S 2 6.000 8f 0.42453(5) 0.38308(4) 0.09998(11)
S 3 6.000 8f 0.21580(4) 0.34618(4) 0.38849(11)
O 1 -2.000 8f 0.10118(11) 0.42389(11) 0.1067(3)
O 2 -2.000 8f 0.13631(10) 0.34132(11) 0.4722(3)
O 3 -2.000 8f 0.41207(10) 0.17381(10) 0.3614(3)
O 4 -2.000 8f 0.38070(11) 0.03539(11) 0.2693(3)
O 5 -2.000 8f 0.27828(10) 0.07444(11) 0.4247(3)
O 6 -2.000 8f 0.20250(11) 0.28060(11) 0.2256(3)
O 7 -2.000 8f 0.26207(11) 0.42879(10) 0.3288(3)
O 8 -2.000 8f 0.39780(11) 0.31376(11) 0.2344(3)
O 9 -2.000 8f 0.14414(10) 0.12189(11) 0.4669(3)
O 10 -2.000 8f 0.23774(11) 0.17762(11) 0.0397(3)
O 11 -2.000 8f 0.44686(11) 0.45739(11) 0.2109(3)
O 12 -2.000 8f 0.00564(11) 0.11918(11) 0.4841(3)
OH2 13 -2.000 4e 0. 1/4 0.2308(5)
H 1 1.000 8f 8 Atoms not located in Unit Cell
WYCK f18 e2
ITF Ca 1 B=0.57(2)
ITF Ca 2 B=0.59(2)
ITF Ca 3 B=0.63(2)
ITF K 1 B=1.70(2)
ITF S 1 B=0.54(2)
ITF S 2 B=0.52(2)
ITF S 3 B=0.50(2)
ITF O 1 B=1.13(2)
ITF O 2 B=1.07(2)
ITF O 3 B=1.10(2)
ITF O 4 B=1.05(2)
ITF O 5 B=0.94(2)
ITF O 6 B=1.14(2)
ITF O 7 B=0.99(2)
ITF O 8 B=1.12(2)
ITF O 9 B=1.01(2)
ITF O 10 B=0.99(2)
ITF O 11 B=1.24(2)
ITF O 12 B=1.00(2)
ITF O 13 B=2.48(2)
REM H Anisotropic temperature factors used in the refinment but
not
given in the paper
REM M PDF 19-997
REM M entry = 20778
RVAL 0.026
TEST Calculated density unusual but tolerable. (Code 23)
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
Dr. Uwe Kolitsch
Institut für Mineralogie und Kristallographie
Geozentrum
Universität Wien
Althanstr. 14
A-1090 Wien
Austria
Tel +43-1-4277-53239
Fax +43-1-4277-9532
e-mail: [EMAIL PROTECTED]
home page: http://www.univie.ac.at/mineralogie/kolitsch.htm
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
