#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011196
loop_
_publ_author_name
'Nakai, I.'
'Nagashima, K.'
'Koto, K.'
'Morimoto, N.'
_publ_section_title
;
 Crystal structure of oxide-chalcogenide. I.The crystal stucture of sarabauite CaSb10O10S6
 Locality: Sarabau mine, Sarawak, Malaysia
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3569
_journal_page_last               3572
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ca O10 S6 Sb10'
_chemical_name_mineral           Sarabauite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.58
_cell_angle_gamma                90
_cell_length_a                   25.37
_cell_length_b                   5.654
_cell_length_c                   16.87
_cell_volume                     2144.885
_[local]_cod_data_source_file    08881.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Ca Sb10 O10 S6'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.00000 0.44690 0.25000 0.01127
Sb1 0.45169 0.49080 0.08811 0.01178
Sb2 0.06051 0.43970 0.08433 0.01368
Sb3 0.40195 0.39040 0.24784 0.01115
Sb4 0.16446 0.38590 0.45181 0.01431
Sb5 0.22746 0.10100 0.13422 0.02216
O1 0.02416 0.32940 0.48238 0.01938
O2 0.08414 0.25010 0.37423 0.01570
O3 0.45493 0.14690 0.33428 0.01558
O4 0.43880 0.27960 0.17364 0.01469
O5 0.03093 0.11500 0.17919 0.01608
S1 0.29545 0.47990 0.02610 0.01811
S2 0.17228 0.42820 0.31099 0.01849
S3 0.32441 0.26270 0.35632 0.04927
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.01306 0.00372 0.01416 0.00000 0.00767 0.00000
Sb1 0.01614 0.00541 0.01178 -0.00129 0.00920 -0.00274
Sb2 0.01819 0.00912 0.01246 0.00142 0.01039 -0.00167
Sb3 0.01383 0.00512 0.01223 0.00129 0.00818 -0.00034
Sb4 0.01640 0.00766 0.01574 -0.00161 0.00954 -0.00103
Sb5 0.02101 0.01420 0.02753 0.00187 0.01601 -0.00296
O1 0.02408 0.01166 0.01574 0.00966 0.00715 -0.00043
O2 0.01998 0.00648 0.01597 -0.00232 0.00886 0.00385
O5 0.01306 0.01377 0.01982 -0.00206 0.01226 0.00000
S1 0.01870 0.00988 0.01869 0.00052 0.00528 0.00300
S2 0.02049 0.01636 0.01574 -0.00296 0.01175 0.00236
S3 0.05021 0.04146 0.05324 0.02686 0.04259 0.01872
_cod_database_code 9011196