#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000286.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_9000286
loop_
_publ_author_name
'Anthony, J. W.'
'McLean, W. J.'
'Laughon, R. B.'
_publ_section_title
;
 The crystal structure of yavapaiite: A discussion
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1546
_journal_page_last               1549
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe K O8 S2'
_chemical_name_mineral           Yavapaiite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.87
_cell_angle_gamma                90
_cell_length_a                   8.150
_cell_length_b                   5.162
_cell_length_c                   7.855
_cell_formula_units_Z            2
_cell_volume                     329.269
_database_code_amcsd             0000295
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum        'Fe K S2 O8'
_cod_database_code               9000286
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
Fe 0.00000 0.00000 0.00000 0.00570
K 0.00000 0.00000 0.50000 0.01900
S 0.37000 0.00000 0.20200 0.00595
O1 0.23690 0.00000 0.06280 0.01127
O2 0.31240 0.00000 0.37000 0.01887
O3 0.47410 0.23300 0.18100 0.01368
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000295
