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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/1/53/58/1535881.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_1535881
loop_
_publ_author_name
'Iskhakova, L.D.'
'Kozlova, N.P.'
_publ_section_title
;
 Crystal structures M Se O4 * H2 O (M=Ni,Cu)
;
_journal_name_full               Kristallografiya
_journal_page_first              635
_journal_page_last               638
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'Cu H2 O5 Se'
_chemical_name_systematic        'Cu (Se O4) (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.027
_cell_angle_beta                 106.52
_cell_angle_gamma                97.175
_cell_formula_units_Z            2
_cell_length_a                   5.1253
_cell_length_b                   5.521
_cell_length_c                   7.4638
_cell_volume                     192.133
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Iskhakova_KRISAJ_1995_1492.cif
_cod_data_source_block           H2Cu1O5Se1
_cod_original_cell_volume        192.1331
_cod_original_formula_sum        'H2 Cu1 O5 Se1'
_cod_database_code               1535881
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
H1 H+1 0.5 0.67 0.189 1 0.0
O5 O-2 0.3728 0.6152 0.214 1 0.0
O4 O-2 0.1955 0.1628 0.8756 1 0.0
O3 O-2 0.1697 0.6659 0.8472 1 0.0
H2 H+1 0.4 0.49 0.26 1 0.0
O1 O-2 0.2731 0.1902 0.3477 1 0.0
Se1 Se+6 0.07087 0.87257 0.73147 1 0.0
Cu2 Cu+2 0 0.5 0 1 0.0
O2 O-2 0.182 0.8189 0.543 1 0.0
Cu1 Cu+2 0.5 0 0.5 1 0.0
