#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/21/9002155.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_9002155
loop_
_publ_author_name
'Yang, H.'
'Konzett, J.'
'Prewitt, C. T.'
'Fei, Y.'
_publ_section_title
;
 Single-crystal structure refinement of synthetic K-substituted potassic
 richterite, K(KCa)Mg5Si8O22(OH)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               684
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca H2 K3 Mg5 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.514
_cell_angle_gamma                90
_cell_length_a                   10.1926
_cell_length_b                   18.1209
_cell_length_c                   5.2736
_cell_formula_units_Z            2
_cell_volume                     938.540
_database_code_amcsd             0002223
_exptl_crystal_density_diffrn    3.148
_cod_original_formula_sum        'Mg5 Ca K3 Si8 H2 O24'
_cod_database_code               9002155
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
-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_occupancy
_atom_site_U_iso_or_equiv
Mg1 0.00000 0.08890 0.50000 1.00000 ?
Mg2 0.00000 0.18000 0.00000 1.00000 ?
Mg3 0.00000 0.00000 0.00000 1.00000 ?
Ca4 0.00000 0.28190 0.50000 0.50000 ?
K4 0.00000 0.28190 0.50000 0.50000 ?
Si1 0.27060 0.08470 0.30650 1.00000 ?
Si2 0.28120 0.17080 0.81310 1.00000 ?
K 0.01300 0.50000 0.02800 1.00000 ?
H 0.20200 0.00000 0.74700 1.00000 0.01646
O1 0.10830 0.08690 0.22040 1.00000 ?
O2 0.11750 0.16890 0.72980 1.00000 ?
O3 0.10380 0.00000 0.71880 1.00000 ?
O4 0.35890 0.24630 0.80880 1.00000 ?
O5 0.33990 0.12890 0.10570 1.00000 ?
O6 0.33390 0.11450 0.60500 1.00000 ?
O7 0.32710 0.00000 0.30470 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002223
