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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530857.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_1530857
loop_
_publ_author_name
'Tabachenko, V.V.'
'Serezhkin, V.I.'
'Serezhkina, L.B.'
'Kovba, L.M.'
_publ_section_title
;
 Crystal structure of manganese sulfatouranylate Mn U O2 (S O4)2 (H2 O)5
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1563
_journal_page_last               1568
_journal_volume                  5
_journal_year                    1979
_chemical_formula_sum            'H10 Mn O15 S2 U'
_chemical_name_systematic        'Mn U O2 (S O4)2 (H2 O)5'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.79
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.506
_cell_length_b                   11.368
_cell_length_c                   8.338
_cell_volume                     616.622
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Tabachenko_KOKHDC_1979_545.cif
_cod_data_source_block           H10Mn1O15S2U1
_cod_original_cell_volume        616.6216
_cod_original_formula_sum        'H10 Mn1 O15 S2 U1'
_cod_database_code               1530857
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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
Mn1 Mn+2 0.5005 0.5893 0.1677 1 0.0
O15 O-2 0.496 0.542 0.431 1 0.0
O8 O-2 0.06 0.454 0.277 1 0.0
O7 O-2 -0.035 0.631 0.398 1 0.0
O1 O-2 0.251 0.24 0.351 1 0.0
O10 O-2 0.182 0.624 0.164 1 0.0
O14 O-2 0.52 0.776 0.211 1 0.0
S1 S+6 0.011 0.456 0.732 1 0.0
O11 O-2 -0.078 0.271 0.098 1 0.0
O9 O-2 -0.182 0.59 0.147 1 0.0
O4 O-2 0.104 0.578 0.711 1 0.0
S2 S+6 -0.004 0.573 0.241 1 0.0
U1 U+6 -0.0023 0.2691 0.388 1 0.0
O2 O-2 0.747 0.295 0.421 1 0.0
O5 O-2 0.108 0.414 0.887 1 0.0
O13 O-2 0.495 0.598 -0.1 1 0.0
O12 O-2 0.492 0.397 0.135 1 0.0
O3 O-2 0.101 0.378 0.6 1 0.0
O6 O-2 -0.199 0.459 0.731 1 0.0
