#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017099.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_9017099
loop_
_publ_author_name
'Oberti, R.'
'Boiocchi, M.'
'Hawthorne, F. C.'
'Ball, N. A.'
'Harlow, G. E.'
_publ_section_title
;
 Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal
 structure, mineral data, and hints on the reasons for the rarity of eckermannite
 Note: Sample AMNH H108401
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               914
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Jade Mine Tract, Kachin Province, Myanmar'
_chemical_formula_sum
'Al0.62 Ca0.11 F0.03 Fe0.486 H1.97 K0.067 Mg3.884 Mn0.01 Na2.829 O23.97 Si8'
_chemical_name_mineral           Eckermannite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.6600
_cell_angle_gamma                90
_cell_length_a                   9.8087
_cell_length_b                   17.8448
_cell_length_c                   5.2905
_cell_formula_units_Z            2
_cell_volume                     899.826
_database_code_amcsd             0020422
_exptl_crystal_density_diffrn    3.032
_cod_data_source_file            inputs/fixed/downloads/05/05820.cif
_cod_data_source_block           05820
_cod_original_formula_sum
'Na2.829 Ca.11 K.067 Mg3.884 Fe.486 Al.62 Mn.01 Si8 O23.97 F.03 H1.97'
_cod_database_code               9017099
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
Na1 0.00000 0.27541 0.50000 0.94500 0.01920
Ca1 0.00000 0.27541 0.50000 0.05500 0.01920
Na2 0.00000 0.50000 0.00000 0.28900 0.02070
K2 0.00000 0.50000 0.00000 0.02100 0.02070
Na3 0.02590 0.50000 0.07170 0.11800 0.03810
K3 0.02590 0.50000 0.07170 0.00900 0.03810
Na4 0.00000 0.47330 0.00000 0.20700 0.03920
K4 0.00000 0.47330 0.00000 0.01400 0.03920
Mg1 0.00000 0.09002 0.50000 0.95000 0.01020
Fe1 0.00000 0.09002 0.50000 0.05000 0.01020
Mg2 0.00000 0.18130 0.00000 0.51200 0.01030
Al1 0.00000 0.18130 0.00000 0.31000 0.01030
Fe2 0.00000 0.18130 0.00000 0.17800 0.01030
Mg3 0.00000 0.00000 0.00000 0.96000 0.00980
Fe3 0.00000 0.00000 0.00000 0.03000 0.00980
Mn3 0.00000 0.00000 0.00000 0.01000 0.00980
Si1 0.27930 0.08630 0.29240 1.00000 0.00850
Si2 0.28706 0.17250 0.80083 1.00000 0.00930
O1 0.11100 0.08805 0.21287 1.00000 0.01080
O2 0.11802 0.16990 0.73412 1.00000 0.01180
O3 0.10828 0.00000 0.70978 0.98500 0.01340
F3 0.10828 0.00000 0.70978 0.01500 0.01340
O4 0.36274 0.25079 0.79757 1.00000 0.01470
O5 0.34970 0.12893 0.08338 1.00000 0.01300
O6 0.34156 0.11827 0.58486 1.00000 0.01380
O7 0.33725 0.00000 0.28952 1.00000 0.01460
H1 0.20360 0.00000 0.74040 0.98500 0.01300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020422
