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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/51/9015135.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_9015135
loop_
_publ_author_name
'Biagioni, C.'
'Merlino, S.'
'Parodi, G. C.'
'Perchiazzi, N.'
_publ_section_title
;
 Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              593
_journal_page_last               609
_journal_paper_doi               10.3749/canmin.50.3.593
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the nepheline syenites of the Los Archipelago, Guinea'
_chemical_formula_sum
'Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2'
_chemical_name_mineral           Normandite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.056
_cell_angle_gamma                90
_cell_length_a                   10.8044
_cell_length_b                   9.7945
_cell_length_c                   7.0532
_cell_formula_units_Z            4
_cell_volume                     709.639
_database_code_amcsd             0019477
_exptl_crystal_density_diffrn    3.489
_cod_original_formula_sum
'Zr.2 Ti1.075 Mn.725 (Ca.824 Na1.176) Si2 O8 F'
_cod_database_code               9015135
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-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
Zr1 0.28372 0.10239 0.02103 0.20000 0.00707
Ti1 0.28372 0.10239 0.02103 0.80000 0.00707
Mn2 0.43672 0.36674 0.85795 0.72500 0.01098
Ti2 0.43672 0.36674 0.85795 0.27500 0.01098
Ca3 0.30036 0.10841 0.52440 0.70600 0.01164
Na3 0.30036 0.10841 0.52440 0.29400 0.01164
Ca4 0.42433 0.37808 0.33840 0.11800 0.01630
Na4 0.42433 0.37808 0.33840 0.88200 0.01630
Si1 0.62040 0.16354 0.21053 1.00000 0.00707
Si2 0.62101 0.16562 0.67011 1.00000 0.00709
O1 0.64377 0.15860 0.45145 1.00000 0.01550
O2 0.73935 0.26300 0.20008 1.00000 0.01168
O3 0.74623 0.25438 0.80128 1.00000 0.01174
O4 0.65222 0.00956 0.15779 1.00000 0.01270
O5 0.63326 0.00772 0.74318 1.00000 0.01270
O6 0.47691 0.21983 0.09716 1.00000 0.01102
O7 0.48457 0.23613 0.64759 1.00000 0.01250
O8 0.62659 0.47435 0.95688 1.00000 0.01300
F9 0.38993 0.50585 0.60015 1.00000 0.01656
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019477
