#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/53/9005301.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_9005301
loop_
_publ_author_name
'Oberti, R.'
'Hawthorne, F. C.'
'Raudsepp, M.'
_publ_section_title
;
 The behaviour of Mn in amphiboles: Mn in synthetic
 fluor-edenite and synthetic fluor-pargasite
 Sample: MFE
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              115
_journal_page_last               122
_journal_volume                  9
_journal_year                    1997
_chemical_formula_sum
'Al1.24 Ca1.41 F2 Mg4.35 Mn0.87 Na1.18 O22 Si6.92'
_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                 104.66
_cell_angle_gamma                90
_cell_length_a                   9.829
_cell_length_b                   18.024
_cell_length_c                   5.284
_cell_formula_units_Z            2
_cell_volume                     905.627
_database_code_amcsd             0006647
_exptl_crystal_density_diffrn    3.135
_cod_original_formula_sum
'Na1.18 Mg4.35 Mn.87 Al1.24 Ca1.41 Si6.92 O22 F2'
_cod_database_code               9005301
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
NaA 0.00000 0.50000 0.00000 0.20000 0.03179
NaAm 0.04410 0.50000 0.10240 0.20000 0.02951
NaA2 0.00000 0.47340 0.00000 0.20000 0.03217
MgM1 0.00000 0.08881 0.50000 0.92500 0.00722
MnM1 0.00000 0.08881 0.50000 0.07500 0.00722
AlM2 0.00000 0.17688 0.00000 0.08000 0.00836
MgM2 0.00000 0.17688 0.00000 0.76000 0.00836
MnM2 0.00000 0.17688 0.00000 0.16000 0.00836
MgM3 0.00000 0.00000 0.00000 0.98000 0.00747
MnM3 0.00000 0.00000 0.00000 0.02000 0.00747
MnM4 0.00000 0.27573 0.50000 0.10000 0.01469
CaM4 0.00000 0.27573 0.50000 0.35500 0.01469
NaM4 0.00000 0.27573 0.50000 0.04000 0.01469
MnM4* 0.00000 0.25212 0.50000 0.09000 0.00925
CaM4* 0.00000 0.25212 0.50000 0.35000 0.00925
NaM4* 0.00000 0.25212 0.50000 0.05000 0.00925
SiT1 0.28276 0.08428 0.29818 0.73000 0.00621
AlT1 0.28276 0.08428 0.29818 0.27000 0.00621
SiT2 0.29062 0.17140 0.80456 1.00000 0.00747
O1 0.11109 0.08493 0.21840 1.00000 0.00836
O2 0.12030 0.17079 0.72608 1.00000 0.00988
F3 0.10460 0.00000 0.71264 1.00000 0.01127
O4 0.36555 0.24881 0.78522 1.00000 0.01381
O5 0.34975 0.13632 0.10108 1.00000 0.01393
O6 0.34669 0.11598 0.59908 1.00000 0.01393
O7 0.34495 0.00000 0.27958 1.00000 0.01254
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006647
