#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/74/9017402.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_9017402
loop_
_publ_author_name
'Zhang, L.'
'Fu, P.'
'Yang, H.'
'Yu, K.'
'Zhou, Z.'
_publ_section_title
;
 Crystal structure of Scawtite
;
_journal_name_full               'Chinese Science Bulletin'
_journal_page_first              930
_journal_page_last               934
_journal_volume                  37
_journal_year                    1992
_chemical_compound_source        'Zoulou iron deposit, Anhui Province, China'
_chemical_formula_sum            'C H4 Ca7 O23 Si6'
_chemical_name_mineral           Scawtite
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.645
_cell_angle_gamma                90
_cell_length_a                   10.0394
_cell_length_b                   15.1935
_cell_length_c                   6.6344
_cell_formula_units_Z            2
_cell_volume                     912.283
_database_code_amcsd             0020470
_exptl_crystal_density_diffrn    3.033
_cod_data_source_file            inputs/fixed/downloads/14/14582.cif
_cod_data_source_block           14582
_cod_original_formula_sum        'Ca7 Si6 C O23 H4'
_cod_database_code               9017402
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1 0.99710 0.00000 0.47140 0.00900
Ca2 0.19700 0.13560 0.00040 0.01000
Ca3 0.99080 0.25090 0.48630 0.00800
Ca4 0.77310 0.14470 0.97570 0.00900
Si1 0.71870 0.10400 0.42090 0.00500
Si2 0.48890 0.17650 0.98450 0.00600
Si3 0.26500 0.10420 0.55480 0.00600
C 0.00000 0.00000 0.00000 0.01300
O1 0.84910 0.12330 0.37850 0.01000
O2 0.72680 0.00000 0.50090 0.01200
O3 0.59210 0.10870 0.17200 0.01300
O4 0.68960 0.16160 0.59550 0.01100
O5 0.57500 0.23490 0.88990 0.01100
O6 0.39740 0.22740 0.07930 0.01000
O7 0.39860 0.10460 0.79530 0.01300
O8 0.29250 0.16140 0.37960 0.01200
O9 0.13920 0.12700 0.60630 0.01000
O10 0.24480 0.00000 0.46890 0.01000
O11 0.97600 0.07220 0.06730 0.07300
O12 0.06010 0.00000 0.87500 0.02700
O13 0.34510 0.00000 0.13310 0.01700
O14 0.65660 0.00000 0.85280 0.01500
H13a 0.28600 0.00000 0.20500 0.08100
H13b 0.43370 0.00000 0.25410 0.06300
H14a 0.65030 0.00000 0.70390 0.03500
H14b 0.56490 0.00000 0.83210 0.03300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020470
