#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007801.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_9007801
loop_
_publ_author_name
'Leclaire, A.'
'Borel, M. M.'
'Grandin, A.'
'Raveau, B.'
_publ_section_title
;
 K2Mo3AlP8O28: a tunnel structure isotypic with Na0.5MoP2O7
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1368
_journal_page_last               1370
_journal_paper_doi               10.1107/S0108270189013338
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     K2Mo3AlP8O28
_chemical_formula_sum            'Al0.5 K Mo1.5 O14 P4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.53
_cell_angle_beta                 92.95
_cell_angle_gamma                105.18
_cell_length_a                   4.8171
_cell_length_b                   7.133
_cell_length_c                   7.998
_cell_formula_units_Z            1
_cell_volume                     264.800
_exptl_crystal_density_diffrn    3.414
_cod_original_formula_sum        'Mo1.5 Al.5 K P4 O14'
_cod_database_code               9007801
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1 0.00000 0.00000 0.00000 1.00000 0.01229
Mo 0.50000 0.50000 0.50000 0.50000 0.00823
Al 0.50000 0.50000 0.50000 0.50000 0.00823
K 0.00000 0.00000 0.50000 1.00000 0.04179
P1 -0.37950 0.24170 0.19530 1.00000 0.00823
P2 0.01610 -0.38160 0.25320 1.00000 0.00823
O1 -0.19000 0.10200 0.18600 1.00000 0.01013
O2 0.09400 -0.20100 0.15300 1.00000 0.01520
O3 0.36800 0.19200 0.07100 1.00000 0.01140
O4 0.15500 0.35100 0.59700 1.00000 0.01267
O5 0.27800 0.55000 0.30500 1.00000 0.01140
O6 0.54400 0.26000 0.37500 1.00000 0.01267
O7 -0.19700 0.45000 0.13800 1.00000 0.00887
_cod_duplicate_entry 1001427
