#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528512.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_1528512
loop_
_publ_author_name
'Gatehouse, B.M.'
'Leverett, P.'
_publ_section_title
;
 The Crystal Structure of Dipotassium Trimolybdate, K2 Mo3 O10; a Compound
 with Five-co-ordinate Molybdenum(VI)
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1398
_journal_page_last               1405
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'K2 Mo3 O10'
_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                 98.84
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.902
_cell_length_b                   7.914
_cell_length_c                   8.84
_cell_volume                     961.028
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Gatehouse_JCSIAP_1968_332.cif
_cod_data_source_block           K2Mo3O10
_cod_original_cell_volume        961.0277
_cod_database_code               1528512
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
O2 O-2 0.4779 0.4077 0.0899 1 0.0
K1 K+1 0.1842 0.4045 0.1557 1 0.0
Mo2 Mo+6 0.5 0.1959 0.25 1 0.0
O5 O-2 0.1351 0.1916 0.3611 1 0.0
O4 O-2 0.2039 0.0405 0.0814 1 0.0
O3 O-2 0.4478 0.056 0.1166 1 0.0
O1 O-2 0.3777 0.2518 0.3216 1 0.0
Mo1 Mo+6 0.3922 0.4206 0.4813 1 0.0
