#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004271.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_9004271
loop_
_publ_author_name
'Boschmann, K. F.'
'Burns, P. C.'
'Hawthorne, F. C.'
'Raudsepp, M.'
'Turnock, A. C.'
_publ_section_title
;
 A-site disorder in synthetic fluor-edenite, a crystal-structure study
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              21
_journal_page_last               30
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al0.36 Ca2 F2 Mg4.64 Na0.98 O22 Si7.24'
_chemical_name_mineral           Fluoro-edenite
_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                 105.08
_cell_angle_gamma                90
_cell_length_a                   9.821
_cell_length_b                   17.934
_cell_length_c                   5.282
_cell_formula_units_Z            2
_cell_volume                     898.281
_database_code_amcsd             0005344
_exptl_crystal_density_diffrn    3.026
_cod_original_formula_sum        'Si7.24 Mg4.64 Al.36 Ca2 Na.98 O22 F2'
_cod_database_code               9004271
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_occupancy
_atom_site_U_iso_or_equiv
SiT1 0.28176 0.08479 0.30250 0.81000 ?
SiT2 0.29057 0.17251 0.81130 1.00000 ?
Mg1 0.00000 0.08902 0.50000 1.00000 ?
AlM2 0.00000 0.17547 0.00000 0.18000 ?
MgM2 0.00000 0.17547 0.00000 0.82000 ?
Mg3 0.00000 0.00000 0.00000 1.00000 ?
Ca4 0.00000 0.27854 0.50000 1.00000 ?
NaAm 0.04150 0.50000 0.09530 0.24000 0.02000
NaA2 0.00000 0.47650 0.00000 0.25000 0.02000
O1 0.10840 0.08600 0.21820 1.00000 ?
O2 0.11910 0.17140 0.73120 1.00000 ?
F3 0.10440 0.00000 0.71330 1.00000 ?
O4 0.36560 0.25040 0.78840 1.00000 ?
O5 0.35110 0.13910 0.11080 1.00000 ?
O6 0.34620 0.11640 0.60750 1.00000 ?
O7 0.34480 0.00000 0.27840 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005344
