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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/1/54/18/1541867.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_1541867
loop_
_publ_author_name
'Pushcharovskii, D.Yu.'
'Pobedimskaya, E.A.'
'Belov, N.V.'
_publ_section_title
;
 Two structural interpretations for legrandite Zn2 As O4 O H H2 O
;
_journal_name_full               Kristallografiya
_journal_page_first              855
_journal_page_last               856
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'As H3 O6 Zn2'
_chemical_name_systematic        'Zn2 (As O4) (O H) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.2
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.72
_cell_length_b                   8.15
_cell_length_c                   10.17
_cell_volume                     1022.090
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Pushcharovskii_KRISAJ_1972_202.cif
_cod_data_source_block           H3As1O6Zn2
_cod_original_cell_volume        1022.09
_cod_original_formula_sum        'H3 As1 O6 Zn2'
_cod_database_code               1541867
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O5 O-2 0.475 0.946 0.241 1 0.0
O7 O-2 0.341 0.285 0.314 1 0.0
O10 O-2 0.442 0.657 0.014 1 0.0
As2 As+5 0.385 0.422 0.215 1 0.0
O6 O-2 0.358 0.337 0.052 1 0.0
O12 O-2 0.088 0.731 0.435 1 0.0
O8 O-2 0.318 0.6 0.21 1 0.0
O1 O-2 0.268 0.954 0.256 1 0.0
O9 O-2 0.077 0.53 0.142 1 0.0
O3 O-2 0.134 0.181 0.344 1 0.0
Zn1 Zn+2 0.404 0.049 0.389 1 0.0
O4 O-2 0.05 0.906 0.206 1 0.0
O2 O-2 0.14 0.158 0.081 1 0.0
O11 O-2 0.272 0.58 0.467 1 0.0
Zn4 Zn+2 0.01 0.242 0.441 1 0.0
Zn3 Zn+2 0.362 0.805 0.128 1 0.0
As1 As+5 0.15 0.055 0.219 1 0.0
Zn2 Zn+2 0.253 0.331 0.462 1 0.0
