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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/27/9012769.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_9012769
loop_
_publ_author_name
'Amisano Canesi, A.'
'Chiari, G.'
_publ_section_title
;
 Refinement of very-high-pressure wagnerite, Mg2(PO4)F
;
_journal_name_full               'European Crystallographic Meeting'
_journal_page_first              189
_journal_page_last               189
_journal_volume                  14
_journal_year                    1992
_chemical_formula_sum            'F Mg2 O4 P'
_chemical_name_mineral           Wagnerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.22
_cell_angle_gamma                90
_cell_length_a                   9.650
_cell_length_b                   12.731
_cell_length_c                   11.961
_cell_formula_units_Z            16
_cell_volume                     1395.784
_database_code_amcsd             0012516
_exptl_crystal_density_diffrn    3.095
_cod_original_formula_sum        'Mg2 P O4 F'
_cod_database_code               9012769
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
Mg1 0.55140 0.07100 0.91370
Mg2 0.46650 0.06940 0.59980
Mg3 0.04520 0.18160 0.92000
Mg4 0.96590 0.17730 0.60780
Mg5 0.19110 0.01900 0.19020
Mg6 0.78870 0.00280 0.30680
Mg7 0.30590 0.23130 0.31360
Mg8 0.70710 0.24650 0.19410
P1 0.11560 0.07840 0.42560
P2 0.87970 0.07330 0.07600
P3 0.38220 0.17730 0.07490
P4 0.62080 0.17980 0.42340
O1 0.17480 0.11190 0.32600
O2 0.79720 0.09350 0.16370
O3 0.31500 0.14320 0.17110
O4 0.69250 0.15120 0.32940
O5 0.24270 0.04900 0.53480
O6 0.76840 0.05550 0.95100
O7 0.26170 0.20510 0.95970
O8 0.73970 0.20580 0.53980
O9 0.98380 0.01610 0.62110
O10 0.02490 0.02500 0.88360
O11 0.48610 0.22930 0.61770
O12 0.51730 0.22430 0.88110
O13 0.47060 0.08250 0.04970
O14 0.52040 0.08750 0.43960
O15 0.02560 0.16410 0.45690
O16 0.98400 0.16100 0.06920
F1 0.41980 0.04500 0.75450
F2 0.67470 0.08370 0.71360
F3 0.17550 0.16120 0.71480
F4 0.91720 0.20810 0.75940
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012516
