#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011888.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011888
loop_
_publ_author_name
'Solov'eva, L. P.'
'Belov, N. V.'
_publ_section_title
;
 Crystal structure of hodgkinsonite Zn2Mn[SiO4](OH)2
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              867
_journal_page_last               870
_journal_volume                  8
_journal_year                    1963
_chemical_compound_source        'Franklin, New Jersey'
_chemical_formula_sum            'H2 Mn O6 Si Zn2'
_chemical_name_mineral           Hodgkinsonite
_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                 95.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.71
_cell_length_b                   5.34
_cell_length_c                   8.13
_cell_volume                     505.971
_database_code_amcsd             0015595
_exptl_crystal_density_diffrn    4.093
_cod_original_formula_sum        'Mn Zn2 Si O6 H2'
_cod_database_code               9011888
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Mn 0.04800 0.25000 0.39300 0.00633 Mn 0
ZnI 0.25100 0.56100 0.10700 0.00633 Zn 0
ZnII 0.42200 0.93400 0.27300 0.00633 Zn 0
Si 0.33000 0.43800 0.43200 0.00633 Si 0
O1 0.20200 0.45000 0.33200 0.00633 O 0
O2 0.36100 0.14200 0.46500 0.00633 O 0
O3 0.30800 0.93200 0.10700 0.00633 O 0
O4 0.43300 0.56800 0.31600 0.00633 O 0
O-H5 0.11300 0.92000 0.49800 0.00633 O 1
O-H6 0.05700 0.09600 0.15400 0.00633 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:53:35+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015595
