#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011196.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_paper_doi               10.1107/S0567740878011619
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Sarabau mine, Sarawak, Malaysia'
_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_formula_units_Z            4
_cell_volume                     2144.885
_database_code_amcsd             0009650
_exptl_crystal_density_diffrn    4.986
_cod_original_formula_sum        'Ca Sb10 O10 S6'
_cod_database_code               9011196
loop_
_space_group_symop_operation_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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009650
