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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017713.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_9017713
loop_
_publ_author_name
'Pieczka, A.'
'Hawthorne, F. C.'
'Ball, N.'
'Abdu, Y.'
'Golebiowska, B.'
'Wlodek, A.'
'Zukrowski, J.'
_publ_section_title
;
 Graftonite-(Mn), ideally M1MnM2,M3Fe2(PO4)2, and graftonite-(Ca),
 ideally M1CaM2,M3Fe2(PO4)2, two new minerals of the graftonite group from Poland
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1307
_journal_page_last               1322
_journal_volume                  82
_journal_year                    2018
_chemical_compound_source
'type sample from phosphate pegmatites from Lutomia, Poland'
_chemical_formula_sum            'Ca0.3 Fe1.34 Mg0.06 Mn1.3 O8 P2'
_chemical_name_mineral           Graftonite-(Mn)
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.23
_cell_angle_gamma                90
_cell_length_a                   8.811
_cell_length_b                   11.494
_cell_length_c                   6.138
_cell_formula_units_Z            4
_cell_volume                     613.569
_database_code_amcsd             0020876
_exptl_crystal_density_diffrn    3.785
_cod_data_source_file            inputs/fixed/downloads/18/18620.cif
_cod_data_source_block           18620
_cod_original_formula_sum        'Mn1.3 Ca.3 Fe1.34 Mg.06 P2 O8'
_cod_database_code               9017713
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Mn2+M1 0.94506 0.11902 0.84012 0.70000 0.01958
CaM1 0.94506 0.11902 0.84012 0.30000 0.01958
Fe2+M2 0.71753 0.07905 0.32823 0.67000 0.02086
Mn2+M2 0.71753 0.07905 0.32823 0.27000 0.02086
MgM2 0.71753 0.07905 0.32823 0.06000 0.02086
Fe2+M3 0.36281 0.19156 0.12765 0.67000 0.01203
Mn2+M3 0.36281 0.19156 0.12765 0.33000 0.01203
P1 0.09333 0.13552 0.39525 1.00000 0.00896
P2 0.60376 0.08846 0.80663 1.00000 0.00837
O1 0.07757 0.06816 0.17710 1.00000 0.01430
O2 0.47686 0.17678 0.82980 1.00000 0.01330
O3 0.94190 0.19814 0.41620 1.00000 0.02170
O4 0.69379 0.12658 0.62480 1.00000 0.01300
O5 0.21900 0.22755 0.38120 1.00000 0.01810
O6 0.72647 0.08814 0.01520 1.00000 0.01260
O7 0.13700 0.06060 0.59990 1.00000 0.01880
O8 0.53395 -0.03486 0.76190 1.00000 0.01200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020876
