XRD 12 ID = 10068<br><br />
<b>Notice</b>:  ob_clean(): Failed to delete buffer. No buffer to delete in <b>/var/www/IZA-SC/XRD_cif.php</b> on line <b>26</b><br />
<br />
<b>Warning</b>:  Cannot modify header information - headers already sent by (output started at /var/www/IZA-SC/XRD_cif.php:11) in <b>/var/www/IZA-SC/XRD_cif.php</b> on line <b>27</b><br />
<br />
<b>Warning</b>:  Cannot modify header information - headers already sent by (output started at /var/www/IZA-SC/XRD_cif.php:11) in <b>/var/www/IZA-SC/XRD_cif.php</b> on line <b>28</b><br />
<br />
<b>Warning</b>:  Cannot modify header information - headers already sent by (output started at /var/www/IZA-SC/XRD_cif.php:11) in <b>/var/www/IZA-SC/XRD_cif.php</b> on line <b>29</b><br />
<br />
<b>Warning</b>:  Cannot modify header information - headers already sent by (output started at /var/www/IZA-SC/XRD_cif.php:11) in <b>/var/www/IZA-SC/XRD_cif.php</b> on line <b>30</b><br />

data_topas_cif_out
_chemical_name_mineral ??
_cell_length_a 14.1253(3)
_cell_length_b 50.8457(9)
_cell_length_c 12.6540(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 9088.2(3)
_symmetry_space_group_name_H-M Cmmm
loop_
	_symmetry_equiv_pos_as_xyz
	 'x, y, z '
	 '-x, -y, z '
	 '-x, y, -z '
	 '-x, y, z '
	 'x, -y, -z '
	 'x, -y, z '
	 'x, y, -z '
	 '-x, -y, -z '
	 'x+1/2, y+1/2, z '
	 '-x+1/2, -y+1/2, z '
	 '-x+1/2, y+1/2, -z '
	 '-x+1/2, y+1/2, z '
	 'x+1/2, -y+1/2, -z '
	 'x+1/2, -y+1/2, z '
	 'x+1/2, y+1/2, -z '
	 '-x+1/2, -y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
SI1 Si  16 0.2065(4) 0.0803(4) 0.1934(9) 1 2.13(6)
SI2 Si  16 0.1095(6) 0.1729(4) 0.3754(6) 1 2.13(6)
SI3 Si  16 0.1106(4) 0.0288(4) 0.1251(6) 1 2.13(6)
SI4 Si  16 0.1106(6) 0.1124(4) 0.3741(7) 1 2.13(6)
SI5 Si  16 0.2276(5) 0.1950(4) 0.1953(9) 1 2.13(6)
SI6 Si  16 0.3974(5) 0.0992(4) 0.1265(6) 1 2.13(6)
SI8 Si  16 0.1050(6) 0.3393(4) 0.1253(6) 1 2.13(6)
SI7 Si   8 0.1121(2) 0.1102(7) 0 1 2.13(6)
SI9 Si   8 0.1111(2) 0.1725(6) 0 1 2.13(6)
SI10 Si  16 0.2101(2) 0.2493(1) 0.1181(2) 0.5 2.13(6)
O1 O  16 0.1743(1) 0.0503(7) 0.1834(1) 1 2.55(7)
O2 O  16 0.3192(1) 0.0819(8) 0.1844(1) 1 2.55(7)
O3 O  16 0.1752(1) 0.0923(8) 0.3063(1) 1 2.55(7)
O4 O  16 0.2563(1) 0.2247(7) 0.1783(1) 1 2.55(7)
O5 O  16 0.1762(1) 0.1923(8) 0.3083(1) 1 2.55(7)
O6 O  16 0.1582(1) 0.0973(8) 0.1033(1) 1 2.55(7)
O7 O  16 0.1782(1) 0.3224(7) 0.1933(1) 1 2.55(7)
O8 O  16 0.1333(1) 0.1427(7) 0.3433(1) 1 2.55(7)
O9 O  16 0.1572(2) 0.1856(8) 0.1033(1) 1 2.55(7)
O10 O  16 0.1203(1) 0.3700(7) 0.1513(1) 1 2.55(7)
O11 O   8 0.1304(1) 0.1413(1) 0 1 2.55(7)
O12 O   8 0.1294(1) 0.0305(1) 0 1 2.55(7)
O13 O   8 0.1214(1) 0.3341(1) 0 1 2.55(7)
O14 O   8 0.3914(1) 0.0942(1) 0 1 2.55(7)
O15 O   8 0.1391(4) 0 0.1661(4) 1 2.55(7)
O16 O   4 0 0.1780(6) 0 1 2.55(7)
O17 O   4 0 0.1046(6) 0 1 2.55(7)
O18 O   8 0 0.1795(2) 0.3514(1) 1 2.55(7)
O19 O   8 0 0.0344(2) 0.1494(1) 1 2.55(7)
O20 O   8 0 0.1064(1) 0.3505(1) 1 2.55(7)
O21 O   8 0 0.3306(1) 0.1574(1) 1 2.55(7)
O22 O   8 0 0.4096(1) 0.1695(1) 1 2.55(7)
O23 O   8 0.1291(4) 0.1773(1) 0.5 1 2.55(7)
O24 O   8 0.1321(4) 0.1082(2) 0.5 1 2.55(7)
O25 O   4 0.25 0.25 0 1 2.55(7)
O26 O  16 0.0961(4) 0.2475(3) 0.1171(5) 0.5 2.55(7)
WO1 O  16 -0.138(2) 1.0449(7) -0.627(3) 1 4.25(12)
WO2 O  16 -0.087(2) 1.2385(7) 0.699(3) 1 4.25(12)