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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/1/53/07/1530771.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_1530771
loop_
_publ_author_name
'Simonov, M.A.'
'Belokoneva, E.L.'
'Egorov-Tismenko, Yu.K.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of Clinohedrite Ca Zn (Si O4) (H2 O)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              334
_journal_page_last               337
_journal_volume                  237
_journal_year                    1977
_chemical_formula_sum            'Ca H2 O5 Si Zn'
_chemical_name_systematic        'Ca Zn (Si O4) (H2 O)'
_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                 103.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.131
_cell_length_b                   15.928
_cell_length_c                   5.422
_cell_volume                     431.076
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Simonov_DANKAS_1977_364.cif
_cod_data_source_block           H2Ca1O5Si1Zn1
_cod_original_cell_volume        431.0758
_cod_original_formula_sum        'H2 Ca1 O5 Si1 Zn1'
_cod_database_code               1530771
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
O4 O-2 0.1175 0.3403 0.8141 1 0.0
Si1 Si+4 0.0048 0.3616 0.5178 1 0.0
O5 O-2 0.0962 0.4543 0.446 1 0.0
O1 O-2 0.1324 0.041 0.3547 1 0.0
H1 H+1 0.138 0.093 0.186 1 0.0
O2 O-2 0.13 0.2928 0.3461 1 0.0
H2 H+1 0.348 0.026 0.42 1 0.0
Zn1 Zn+2 0 0.24936 0 1 0.0
O3 O-2 0.1776 0.1439 0.9486 1 0.0
Ca1 Ca+2 0.3418 0.42768 0.1384 1 0.0
