#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004786.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_9004786
loop_
_publ_author_name
'Yakubovich, O. V.'
'Massa, W.'
'Liferovich, R. P.'
'Gavrilenko, P. G.'
'Bogdanova, A. N.'
'Tuisku, P.'
_publ_section_title
;Hillite, a new member of the fairfieldite group: Its description and crystal
 structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              981
_journal_page_last               988
_journal_paper_doi               10.2113/gscanmin.41.4.981
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Ca2 H4 Mg0.377 O10 P2 Zn0.623'
_chemical_name_mineral           Hillite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.41
_cell_angle_beta                 108.59
_cell_angle_gamma                107.19
_cell_length_a                   5.736
_cell_length_b                   6.767
_cell_length_c                   5.462
_cell_formula_units_Z            1
_cell_volume                     186.049
_database_code_amcsd             0005879
_exptl_crystal_density_diffrn    3.178
_cod_original_formula_sum        'Ca2 (Zn.623 Mg.377) P2 O10 H4'
_cod_database_code               9004786
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca 0.30260 0.76050 0.65360 1.00000 0.01650
Zn 0.00000 0.00000 0.00000 0.62300 0.01590
Mg 0.00000 0.00000 0.00000 0.37700 0.01590
P 0.33530 0.24470 0.66550 1.00000 0.01450
O1 0.33750 0.12980 0.89470 1.00000 0.01720
O2 0.25720 0.07020 0.40780 1.00000 0.01820
O3 0.15630 0.37380 0.63440 1.00000 0.01730
O4 0.62220 0.38740 0.72020 1.00000 0.01760
O5 0.94930 0.27730 0.06920 1.00000 0.01700
H1 0.10500 0.38000 0.11800 1.00000 0.04500
H2 0.85700 0.31400 -0.05300 1.00000 0.04500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005879
