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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/9/01/47/9014775.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_9014775
loop_
_publ_author_name
'Le Meins, J.'
'Hemon-Ribaud A'
'Courbion, G.'
_publ_section_title
;
 Synthesis and crystal structure of two fluorophosphated compounds with
 different infinite sheets: Sr2Ga(HPO4)(PO4)F2 and Sr2Fe2(HPO4)(PO4)2F2
 _cod_database_code 1000487
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              117
_journal_page_last               132
_journal_volume                  45
_journal_year                    1998
_chemical_formula_sum            'F2 Fe2 O12 P3 Sr2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.46
_cell_angle_beta                 115.95
_cell_angle_gamma                89.95
_cell_length_a                   8.072
_cell_length_b                   8.794
_cell_length_c                   8.885
_cell_formula_units_Z            2
_cell_volume                     550.604
_database_code_amcsd             0012630
_exptl_crystal_density_diffrn    3.678
_cod_duplicate_entry             1000487
_cod_original_formula_sum        'Sr2 Fe2 P3 O12 F2'
_cod_database_code               9014775
_amcsd_formula_title             Sr2Fe2(HPO4)(PO4)2F2
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1 0.39480 0.69610 0.58170
Sr2 0.19560 0.19650 0.57610
Fe1 0.67410 0.42780 0.83730
Fe2 0.83170 0.07680 0.16180
P1 0.00210 0.43440 0.23890
P2 0.23190 -0.05800 0.24380
P3 0.55030 0.74530 0.00120
O1 -0.06690 0.53980 0.36190
O2 0.29960 0.78650 0.28160
O3 0.05490 -0.03220 0.26440
O4 0.38710 0.07050 0.39460
O5 0.63160 0.64910 0.88910
O6 0.37230 0.79310 0.86960
O7 0.01360 0.27090 0.27530
O8 0.52050 0.65280 0.11650
O9 0.21100 -0.03660 0.07240
O10 0.68570 0.88620 0.13250
O11 0.19740 0.50550 0.29020
O12 0.87300 0.43070 0.05370
F1 0.84660 0.11200 0.41160
F2 0.44230 0.41030 0.59820
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012630
