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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/1/53/01/1530182.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_1530182
loop_
_publ_author_name
'Klevtsova, R.F.'
'Antonova, A.A.'
'Glinskaya, L.A.'
_publ_section_title
;
 Crystal structure of Cs2 Hf (Mo O4)3
;
_journal_name_full               Kristallografiya
_journal_page_first              161
_journal_page_last               164
_journal_volume                  25
_journal_year                    1980
_chemical_formula_sum            'Cs2 Hf Mo3 O12'
_chemical_name_systematic        'Cs2 Hf (Mo O4)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.341
_cell_length_b                   6.95
_cell_length_c                   10.782
_cell_volume                     1397.279
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Klevtsova_KRISAJ_1980_640.cif
_cod_data_source_block           Cs2Hf1Mo3O12
_cod_original_formula_sum        'Cs2 Hf1 Mo3 O12'
_cod_database_code               1530182
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,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
Mo2 Mo+6 -0.1321 -0.091 0.1844 1 0.0
Hf1 Hf+4 0 0.0007 0 1 0.0
O6 O-2 -0.1748 0.134 0.1394 1 0.0
Cs1 Cs+1 0.3363 0.0171 0.4286 1 0.0
O11 O-2 0.2088 -0.2408 0.3572 1 0.0
O12 O-2 0.1569 0.1325 0.3383 1 0.0
O2 O-2 0.0751 0.5203 0.282 1 0.0
O1 O-2 -0.0726 0.5383 0.2317 1 0.0
Cs2 Cs+1 0.1638 0.5303 0.0646 1 0.0
O5 O-2 -0.0805 -0.1405 0.0625 1 0.0
O4 O-2 0.0136 0.2424 0.3963 1 0.0
O10 O-2 0.0764 -0.1298 0.4265 1 0.0
Mo3 Mo+6 0.1294 -0.0922 0.319 1 0.0
O3 O-2 -0.002 0.247 0.1111 1 0.0
O8 O-2 -0.0785 -0.1076 0.3471 1 0.0
Mo1 Mo+6 -0.0019 0.3865 0.2505 1 0.0
O7 O-2 -0.2021 -0.2452 0.1589 1 0.0
O9 O-2 0.084 -0.1052 0.1489 1 0.0
