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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011732.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_9011732
loop_
_publ_author_name
'Mihajlovic, T.'
'Lengauer, C. L.'
'Ntaflos, T.'
'Lolitsch, U.'
'Tillmanns, E.'
_publ_section_title
;Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite,
 K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite,
 Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel,
 Germany Locality: Bellerberg volcano lava field, 2 km N of Mayen, Eastern
 Eifel volcanic area, Eifel, Germany
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              265
_journal_page_last               294
_journal_volume                  179
_journal_year                    2004
_chemical_compound_source
'Bellerberg volcano lava field, 2 km N of Mayen,'
_chemical_formula_sum
'Al0.06 Ca8 Cl1.858 Fe0.028 Mg0.912 O16.142 Si4'
_chemical_name_mineral           Rondorfite
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.0850
_cell_length_b                   15.0850
_cell_length_c                   15.0850
_cell_formula_units_Z            8
_cell_volume                     3432.701
_database_code_amcsd             0014723
_exptl_crystal_density_diffrn    3.028
_cod_original_sg_symbol_H-M      'F d 3'
_cod_original_formula_sum
'Ca8 (Mg.912 Fe.028 Al.06) Si4 O16.142 Cl1.858'
_cod_database_code               9011732
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+z,1/4+x,-y
1/4+z,3/4+x,1/2-y
3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
1/4+z,-x,1/4+y
1/4+z,1/2-x,3/4+y
3/4+z,-x,3/4+y
3/4+z,1/2-x,1/4+y
-z,1/4+x,1/4+y
-z,3/4+x,3/4+y
1/2-z,1/4+x,3/4+y
1/2-z,3/4+x,1/4+y
-z,-x,-y
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,3/4-z,3/4-x
y,1/4-z,1/4-x
1/2+y,3/4-z,1/4-x
1/2+y,1/4-z,3/4-x
3/4-y,3/4-z,x
3/4-y,1/4-z,1/2+x
1/4-y,3/4-z,1/2+x
1/4-y,1/4-z,x
3/4-y,z,3/4-x
3/4-y,1/2+z,1/4-x
1/4-y,z,1/4-x
1/4-y,1/2+z,3/4-x
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4+x,-y,3/4+z
3/4+x,1/2-y,1/4+z
-x,1/4+y,1/4+z
-x,3/4+y,3/4+z
1/2-x,1/4+y,3/4+z
1/2-x,3/4+y,1/4+z
1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4+x,1/4+y,1/2-z
3/4+x,3/4+y,-z
-x,-y,-z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
3/4-z,3/4-x,y
3/4-z,1/4-x,1/2+y
1/4-z,3/4-x,1/2+y
1/4-z,1/4-x,y
3/4-z,x,3/4-y
3/4-z,1/2+x,1/4-y
1/4-z,x,1/4-y
1/4-z,1/2+x,3/4-y
z,3/4-x,3/4-y
z,1/4-x,1/4-y
1/2+z,3/4-x,1/4-y
1/2+z,1/4-x,3/4-y
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,1/4+z,1/4+x
-y,3/4+z,3/4+x
1/2-y,1/4+z,3/4+x
1/2-y,3/4+z,1/4+x
1/4+y,1/4+z,-x
1/4+y,3/4+z,1/2-x
3/4+y,1/4+z,1/2-x
3/4+y,3/4+z,-x
1/4+y,-z,1/4+x
1/4+y,1/2-z,3/4+x
3/4+y,-z,3/4+x
3/4+y,1/2-z,1/4+x
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/2+y,3/4-z
x,3/4-y,3/4-z
x,1/4-y,1/4-z
1/2+x,3/4-y,1/4-z
1/2+x,1/4-y,3/4-z
3/4-x,3/4-y,z
3/4-x,1/4-y,1/2+z
1/4-x,3/4-y,1/2+z
1/4-x,1/4-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
CaM1 0.50000 0.50000 0.50000 1.00000 0.00710
CaM2 0.34060 0.12500 0.12500 1.00000 0.00865
MgT2 0.12500 0.12500 0.12500 0.91200 0.00610
FeT2 0.12500 0.12500 0.12500 0.02800 0.00610
AlT2 0.12500 0.12500 0.12500 0.06000 0.00610
SiT1 0.25943 0.25943 0.25943 1.00000 0.00521
O1 0.19679 0.19679 0.19679 1.00000 0.01210
O2 0.60157 0.29601 0.01994 1.00000 0.00880
Cl 0.00000 0.00000 0.00000 0.92900 0.01180
O3 0.00000 0.00000 0.00000 0.07100 0.01180
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014723
