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#$Date: 2015-07-13 02:36:59 +0200 (lun 13 de jul de 2015) $
#$Revision: 148962 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527398.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_1527398
loop_
_publ_author_name
'Gatehouse, B.M.'
'Leverett, P.'
_publ_section_title
;
 Crystal structure of potassium tetramolybdate, K2 Mo4 O13, and its
 relationship to the structures of other univalent metal polymolybdates
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              2107
_journal_page_last               2112
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'K2 Mo4 O13'
_chemical_name_systematic        'K2 (Mo4 O13)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                119.4
_cell_angle_beta                 62.7
_cell_angle_gamma                109.8
_cell_formula_units_Z            2
_cell_length_a                   7.972
_cell_length_b                   8.352
_cell_length_c                   10.994
_cell_volume                     560.567
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Gatehouse_JCSIAP_1971_1847.cif
_cod_data_source_block           K2Mo4O13
_cod_original_cell_volume        560.5671
_cod_database_code               1527398
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O7 O-2 0.2208 0.8225 0.3094 1 0.0
K2 K+1 0.2455 0.8503 0.0642 1 0.0
O3 O-2 0.9088 0.5127 0.1566 1 0.0
Mo2 Mo+6 0.7253 0.626 0.2286 1 0.0
O5 O-2 0.8658 0.821 0.163 1 0.0
O1 O-2 0.6296 0.8777 0.0667 1 0.0
O4 O-2 0.8981 0.1557 0.1453 1 0.0
O8 O-2 0.5243 0.1366 0.3563 1 0.0
O9 O-2 0.5488 0.5178 0.3816 1 0.0
Mo3 Mo+6 0.31 -0.0444 0.4513 1 0.0
O13 O-2 0.8412 0.5158 0.4604 1 0.0
O10 O-2 0.5446 0.8522 0.3646 1 0.0
O11 O-2 0.8232 0.1274 0.4121 1 0.0
O6 O-2 0.3063 0.2045 0.2653 1 0.0
Mo4 Mo+6 0.3292 0.3461 0.4385 1 0.0
O12 O-2 0.7951 0.825 0.4465 1 0.0
O2 O-2 0.5946 0.4844 0.1103 1 0.0
Mo1 Mo+6 0.7231 0.0053 0.2083 1 0.0
K1 K+1 0.1896 0.4291 0.1907 1 0.0
