#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017754.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_9017754
loop_
_publ_author_name
'Rieck, B.'
'Giester, G.'
'Lengauer, C. L.'
'Chanmuang, N. C.'
'Topa, D.'
_publ_section_title
;
 Stergiouite, CaZn2(AsO4)2*4H2O - a new mineral from the Lavrion Mining District, Greece
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              319
_journal_page_last               327
_journal_volume                  114
_journal_year                    2020
_chemical_compound_source        'Lavrion Mining District, Greece'
_chemical_formula_sum            'As2 Ca H8 O12 Zn2'
_chemical_name_mineral           Stergiouite
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.77
_cell_angle_gamma                90
_cell_length_a                   9.416
_cell_length_b                   5.300
_cell_length_c                   10.893
_cell_formula_units_Z            2
_cell_volume                     543.354
_database_code_amcsd             0020940
_exptl_crystal_density_diffrn    3.183
_cod_data_source_file            inputs/fixed/downloads/18/18717.cif
_cod_data_source_block           18717
_cod_original_formula_sum        'Ca Zn2 As2 O12 H8'
_cod_database_code               9017754
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.00000 0.24250 0.50000 0.01640
Zn1 0.50429 0.55180 0.40479 0.01320
Zn2 0.50640 0.04520 0.60811 0.01340
As1 0.32140 0.03317 0.34731 0.01080
As2 0.69007 0.52358 0.66383 0.00950
O1 0.36130 0.33900 0.33620 0.02040
O3 0.14950 -0.00180 0.38010 0.01730
O2 0.35330 -0.11800 0.21610 0.02060
O4 0.42810 -0.11330 0.45670 0.01560
O5 0.85910 0.48310 0.62940 0.01560
O6 0.65660 0.83360 0.67200 0.02970
O7 0.66190 0.38490 0.79880 0.02170
O8 0.57700 0.38620 0.55870 0.01540
O9 0.19110 0.46000 0.59110 0.03600
H9a 0.25400 0.40000 0.64800 0.05300
H9b 0.17400 0.62400 0.60800 0.05300
O10 0.01690 -0.07670 0.64530 0.02810
H10a 0.05300 -0.05000 0.72200 0.04200
H10b -0.03000 -0.22600 0.64900 0.04200
O11 -0.18980 0.03420 0.39710 0.03260
H11a -0.22200 -0.12400 0.39900 0.04900
H11b -0.24200 0.10900 0.33600 0.04900
O12 0.00180 0.56230 0.35750 0.02730
H12a -0.02800 0.54400 0.27900 0.04100
H12b 0.06100 0.69900 0.35600 0.04100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020940
