#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007949.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_9007949
loop_
_publ_author_name
'Zid, M. F.'
'Driss, A.'
'Jouini, T.'
_publ_section_title
;
 K2MoO2P2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i65
_journal_page_last               i67
_journal_paper_doi               10.1107/S1600536803007001
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     K2MoO2P2O7
_chemical_formula_sum            'K2 Mo O9 P2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.440
_cell_angle_gamma                90
_cell_length_a                   13.7780
_cell_length_b                   8.0216
_cell_length_c                   15.5950
_cell_formula_units_Z            8
_cell_volume                     1704.918
_exptl_crystal_density_diffrn    2.961
_cod_original_formula_sum        'K2 Mo P2 O9'
_cod_database_code               9007949
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K1 0.14457 0.16340 0.23762 0.02130
K2 0.14160 0.91430 0.47828 0.02390
Mo -0.11455 0.64360 0.36439 0.01090
P1 0.12930 0.58080 0.34432 0.01160
P2 0.03780 0.30070 0.42395 0.01120
O1 0.22300 0.66690 0.37850 0.01710
O2 0.03730 0.67900 0.35520 0.01410
O3 0.02700 0.14760 0.36890 0.02000
O4 -0.05340 0.40960 0.41740 0.01580
O5 0.07240 0.24880 0.51930 0.01490
O6 0.12790 0.41020 0.39880 0.01720
O7 0.12390 0.51590 0.24950 0.01780
O8 -0.22450 0.57290 0.38820 0.02160
O9 -0.14620 0.82790 0.31350 0.01960
_cod_duplicate_entry 2201962
