#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017202.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_9017202
loop_
_publ_author_name
'Miyawaki, R.'
'Momma, K.'
'Yokoyama, K.'
'Shigeoka, M.'
'Matsubara, S.'
'Ito, M.'
'Nakai, I.'
'Kristiansen, R.'
_publ_section_title
;
 Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              345
_journal_page_last               356
_journal_volume                  53
_journal_year                    2015
_chemical_compound_source        'Heftetjern, Tordal, Telemark, Norway'
_chemical_formula_sum
'Al0.92 B4 Ca1.582 Fe0.08 H2 Mn0.88 O24 Si4 Y2.752 Yb0.386'
_chemical_name_mineral           Hellandite-(Y)
_space_group_IT_number           13
_space_group_name_Hall           '-P 2ya'
_space_group_name_H-M_alt        'P 1 2/a 1'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.475
_cell_angle_gamma                90
_cell_length_a                   18.609
_cell_length_b                   4.6307
_cell_length_c                   10.143
_cell_formula_units_Z            2
_cell_volume                     813.371
_database_code_amcsd             0020232
_exptl_crystal_density_diffrn    4.059
_cod_data_source_file            inputs/fixed/downloads/07/07414.cif
_cod_data_source_block           07414
_cod_original_formula_sum
'(Al.92 Fe.08) Y2.752 Yb.386 Ca1.582 Mn.88 Si4 B4 O24 H2'
_cod_database_code               9017202
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,-z
1/2+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
Al1 0.00000 0.00000 0.00000 0.92000 0.01380
Fe1 0.00000 0.00000 0.00000 0.08000 0.01380
Y2 0.04231 0.02021 0.35947 0.94300 0.00774
Yb2 0.04231 0.02021 0.35947 0.05670 0.00774
Ca3 0.24672 0.00215 0.65778 0.56000 0.01040
Mn3 0.24672 0.00215 0.65778 0.44000 0.01040
Y4 0.15507 -0.04275 0.92895 0.43300 0.01532
Ca4 0.15507 -0.04275 0.92895 0.23100 0.01532
Yb4 0.15507 -0.04275 0.92895 0.13650 0.01532
Si1 0.09970 0.48676 0.64705 1.00000 0.00920
Si2 0.11117 0.49617 0.16171 1.00000 0.01060
B1 0.17100 0.53010 0.45220 1.00000 0.01080
B2 0.25440 0.45590 0.13480 1.00000 0.01020
O1 0.03942 0.24330 0.56240 1.00000 0.01160
O2 0.17507 0.31190 0.75700 1.00000 0.01560
O3 0.06910 -0.29350 0.73630 1.00000 0.01390
O4 0.13177 -0.32570 0.54230 1.00000 0.01480
O5 0.03821 0.19000 0.87050 1.00000 0.01270
O6 0.24417 -0.23880 0.86030 1.00000 0.01490
O7 0.16602 0.22570 0.44840 1.00000 0.01330
O8 0.12932 0.67320 0.30960 1.00000 0.01910
O9 0.18864 0.33010 0.16460 1.00000 0.02520
O10 0.08544 0.73710 0.04080 1.00000 0.01290
O11 0.05237 0.24110 0.15470 1.00000 0.01270
O12 0.25000 0.32450 0.00000 1.00000 0.02660
O13 0.25000 0.65030 0.50000 1.00000 0.01840
H5 0.03600 0.42700 0.88200 1.00000 0.14000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020232
