#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/71/9017191.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_9017191
loop_
_publ_author_name
'Vignola, P.'
'Gatta, G. D.'
'Hatert, F.'
'Guastoni, A.'
'Bersani, D.'
_publ_section_title
;
 On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F,
 from the Codera Valley (Sondrio Province, Central Alps, Italy)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  52
_journal_year                    2014
_chemical_compound_source        'Codera Valley, Sondrio, Central Alps, Italy'
_chemical_formula_sum            'F Fe0.036 Mn1.964 O4 P'
_chemical_name_mineral           Triplite
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.16
_cell_angle_gamma                90
_cell_length_a                   12.109
_cell_length_b                   6.5162
_cell_length_c                   10.117
_cell_volume                     766.737
_database_code_amcsd             0020668
_exptl_crystal_density_diffrn    3.879
_cod_data_source_file            inputs/fixed/downloads/07/07403.cif
_cod_data_source_block           07403
_cod_original_formula_sum        '(Mn1.964 Fe.036) P O4 F'
_cod_database_code               9017191
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-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
MnM1 0.19521 -0.01430 0.18824 0.97100 0.01050
FeM1 0.19521 -0.01430 0.18824 0.02900 0.01050
MnM2 0.09364 0.14593 0.44514 0.99300 0.00930
FeM2 0.09364 0.14593 0.44514 0.00700 0.00930
P 0.07372 0.65721 0.37919 1.00000 0.00710
O1 0.05661 0.83127 0.47407 1.00000 0.01170
O2 0.95951 0.60809 0.27198 1.00000 0.01220
O3 0.16461 0.71588 0.30680 1.00000 0.01340
O4 0.11718 0.46828 0.47054 1.00000 0.01260
F 0.26581 0.15469 0.37280 1.00000 0.01940
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020668
