#------------------------------------------------------------------------------
#$Date: 2023-03-24 16:37:27 +0000 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000289.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_9000289
loop_
_publ_author_name
'Bladh, K. W.'
'Corbett, R. K.'
'McLean, W. J.'
'Laughon, R. B.'
_publ_section_title
;
 The crystal structure of tilasite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1880
_journal_page_last               1884
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'As Ca F Mg O4'
_chemical_name_mineral           Tilasite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.17
_cell_angle_gamma                90
_cell_length_a                   6.688
_cell_length_b                   8.944
_cell_length_c                   7.570
_cell_volume                     387.447
_database_code_amcsd             0000298
_exptl_crystal_density_diffrn    3.811
_cod_original_formula_sum        'As Ca Mg O4 F'
_cod_database_code               9000289
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As 0.00000 0.42930 0.25000 0.00532
Ca 0.48670 0.58170 0.23920 0.00722
Mg 0.25200 0.74700 0.50000 0.00684
O1 0.01200 0.31100 0.07600 0.00887
O2 0.26300 0.96700 0.62600 0.00507
O3 0.24800 0.53700 0.38200 0.00887
O4 0.00100 0.31600 0.42200 0.00887
F 0.50800 0.33300 0.24700 0.00887