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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/98/1529835.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_1529835
loop_
_publ_author_name
'Efremov, V.A.'
'Trunov, V.K.'
_publ_section_title
;
 Skewing of the palmierite structure in K2 Pb (Mo O4)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              820
_journal_page_last               823
_journal_volume                  235
_journal_year                    1977
_chemical_formula_sum            'K2 Mo2 O8 Pb'
_chemical_name_systematic        'K2 Pb (Mo O4)2'
_space_group_IT_number           3
_symmetry_space_group_name_Hall  'P 2'
_symmetry_space_group_name_H-M   'P 1 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                115.88
_cell_formula_units_Z            2
_cell_length_a                   10.377
_cell_length_b                   7.812
_cell_length_c                   5.993
_cell_volume                     437.100
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Efremov_DANKAS_1977_226.cif
_cod_data_source_block           K2Mo2O8Pb1
_cod_original_cell_volume        437.1002
_cod_original_sg_symbol_Hall     'P 2y (z,x,y)'
_cod_original_formula_sum        'K2 Mo2 O8 Pb1'
_cod_database_code               1529835
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
K3 K+1 0.8023 0.3977 -0.0078 0.914 0.0
O6 O-2 0.025 0.25 0.289 1 0.0
O3 O-2 0.515 0.341 0.218 1 0.0
Mo1 Mo+6 0.4105 0.2351 0.0051 1 0.0
O7 O-2 0.973 0.247 0.763 1 0.0
Pb4 Pb+2 0.3041 0.4142 0.5124 0.029 0.0
Mo2 Mo+6 0.8933 0.1786 0.5081 1 0.0
Pb1 Pb+2 0.5 0 0.4824 0.766 0.0
K1 K+1 0.5 0 0.4824 0.224 0.0
K2 K+1 0 0 0.0092 0.005 0.0
O2 O-2 0.514 0.286 -0.261 1 0.0
O1 O-2 0.355 -0.014 0.055 1 0.0
O8 O-2 0.772 0.278 0.449 1 0.0
O4 O-2 0.273 0.305 0.049 1 0.0
K4 K+1 0.3041 0.4142 0.5124 0.971 0.0
Pb3 Pb+2 0.8023 0.3977 -0.0078 0.086 0.0
O5 O-2 0.795 -0.076 0.492 1 0.0
Pb2 Pb+2 0 0 0.0092 0.995 0.0
