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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/9/01/77/9017712.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_9017712
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 Michalkowa, Poland'
_chemical_formula_sum            'Ca0.98 Fe1.39 Mg0.05 Mn0.58 O8 P2'
_chemical_name_mineral           Graftonite-(Ca)
_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                 99.35
_cell_angle_gamma                90
_cell_length_a                   8.792
_cell_length_b                   11.743
_cell_length_c                   6.169
_cell_formula_units_Z            4
_cell_volume                     628.453
_database_code_amcsd             0020875
_exptl_crystal_density_diffrn    3.593
_cod_data_source_file            inputs/fixed/downloads/18/18619.cif
_cod_data_source_block           18619
_cod_original_formula_sum        'Ca.98 Mn.58 Fe1.39 Mg.05 P2 O8'
_cod_database_code               9017712
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
CaM1 0.95075 0.12407 0.82659 0.98000 0.01208
Mn2+M1 0.95075 0.12407 0.82659 0.02000 0.01208
Fe2+M2 0.71201 0.08002 0.32618 1.00000 0.01323
Fe2+M3 0.35994 0.19058 0.13322 0.39000 0.01230
Mn2+M3 0.35994 0.19058 0.13322 0.56000 0.01230
MgM3 0.35994 0.19058 0.13322 0.05000 0.01230
P1 0.09429 0.13313 0.39783 1.00000 0.00850
P2 0.59969 0.08932 0.80729 1.00000 0.00852
O1 0.08319 0.07107 0.17821 1.00000 0.01300
O2 0.47048 0.17453 0.83106 1.00000 0.01290
O3 0.93834 0.18602 0.42934 1.00000 0.01260
O4 0.68469 0.12779 0.62166 1.00000 0.01190
O5 0.20933 0.23233 0.38521 1.00000 0.01440
O6 0.72450 0.09199 0.01348 1.00000 0.01200
O7 0.14641 0.05815 0.59776 1.00000 0.01260
O8 0.53474 -0.03324 0.76596 1.00000 0.01200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020875
