#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/02/2020242.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2020242
loop_
_publ_author_name
'Chen, J.J.'
'Wang, C.-C.'
'Lii, K.-H.'
_publ_section_title
;
 Structure of K Mo P2 O7, a molybdenum pyrophosphate containing isolated
 Mo(3+) cations
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              673
_journal_page_last               675
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'K Mo O7 P2'
_chemical_name_systematic        'K Mo (P2 O7)'
_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                 106.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.376
_cell_length_b                   10.355
_cell_length_c                   8.35
_cell_volume                     610.444
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Chen_ACSCEE_1989_714.cif
_cod_data_source_block           K1Mo1O7P2
_cod_original_cell_volume        610.4438
_cod_original_formula_sum        'K1 Mo1 O7 P2'
_cod_database_code               2020242
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
K1 K+1 0.8227 0.1766 0.9431 1 0.0
O5 O-2 0.5405 -0.2822 0.7612 1 0.0
O7 O-2 0.656 -0.4298 0.1813 1 0.0
O3 O-2 0.6422 -0.5836 0.7361 1 0.0
O6 O-2 0.0087 -0.4967 0.7178 1 0.0
P1 P+5 0.9669 -0.099 0.6738 1 0.0
O1 O-2 0.9244 -0.2309 0.7521 1 0.0
O4 O-2 0.8657 -0.406 0.9956 1 0.0
P2 P+5 0.5552 -0.3602 0.3056 1 0.0
Mo1 Mo+3 0.7663 -0.3998 0.7399 1 0.0
O2 O-2 0.6783 -0.3923 0.4781 1 0.0
