#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536760.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536760
loop_
_publ_author_name
'Yakubovich, O.V.'
'Mel'nikov, O.K.'
_publ_section_title
;
 Crystal structure of K2Mn2(P2O7)F2.Crystal chemistry of diorthophosphates
 of Fe and Mn.
;
_journal_name_full               Kristallografiya
_journal_page_first              334
_journal_page_last               341
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'F2 K2 Mn2 O7 P2'
_chemical_name_systematic        'K2 Mn2 (P2 O7) F2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.318
_cell_length_b                   6.899
_cell_length_c                   10.645
_cell_volume                     831.192
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Yakubovich_KRISAJ_1991_1120.cif
_cod_data_source_block           F2K2Mn2O7P2
_cod_original_cell_volume        831.1923
_cod_original_sg_symbol_Hall     '-P 2n 2ab (y,-x,z)'
_cod_database_code               1536760
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
x,-y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
x-1/2,-y-1/2,z
-x,y,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.0139 0.1767 0.3272 1 0.0
F1 F-1 0.1563 0.1157 0.0707 1 0.0
Mn1 Mn+2 0.16542 0 0.25 1 0.0
Mn2 Mn+2 0 0 0 1 0.0
P1 P+5 0.42138 0.2154 0.2488 1 0.0
O1 O-2 0.4773 0 0.25 1 0.0
O4 O-2 0.3018 0.2031 0.3094 1 0.0
K1 K+1 0.17196 0.4988 0.06429 1 0.0
O3 O-2 0.4161 0.2766 0.1142 1 0.0
